data_5HUK # _entry.id 5HUK # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 5HUK WWPDB D_1000217783 # _pdbx_database_related.db_name PDB _pdbx_database_related.details . _pdbx_database_related.db_id 5HUK _pdbx_database_related.content_type 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 5HUK _pdbx_database_status.recvd_initial_deposition_date 2016-01-27 _pdbx_database_status.SG_entry N _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Yang, H.' 1 'Carney, P.J.' 2 'Guo, Z.' 3 'Chang, J.C.' 4 'Stevens, J.' 5 # _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 J.Virol. _citation.journal_id_ASTM JOVIAM _citation.journal_id_CSD 0825 _citation.journal_id_ISSN 1098-5514 _citation.journal_full ? _citation.journal_issue ? _citation.journal_volume 90 _citation.language ? _citation.page_first 5770 _citation.page_last 5784 _citation.title 'Molecular Characterizations of Surface Proteins Hemagglutinin and Neuraminidase from Recent H5Nx Avian Influenza Viruses.' _citation.year 2016 _citation.database_id_CSD ? _citation.pdbx_database_id_DOI 10.1128/JVI.00180-16 _citation.pdbx_database_id_PubMed 27053557 _citation.unpublished_flag ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Yang, H.' 1 primary 'Carney, P.J.' 2 primary 'Mishin, V.P.' 3 primary 'Guo, Z.' 4 primary 'Chang, J.C.' 5 primary 'Wentworth, D.E.' 6 primary 'Gubareva, L.V.' 7 primary 'Stevens, J.' 8 # _cell.entry_id 5HUK _cell.length_a 116.225 _cell.length_b 122.789 _cell.length_c 176.846 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 16 _cell.pdbx_unique_axis ? # _symmetry.entry_id 5HUK _symmetry.space_group_name_H-M 'P 21 21 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 19 # 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 Neuraminidase 44117.840 4 3.2.1.18 ? ? ? 2 non-polymer syn 'CALCIUM ION' 40.078 4 ? ? ? ? 3 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 21 ? ? ? ? 4 non-polymer man BETA-D-MANNOSE 180.156 4 ? ? ? ? 5 non-polymer man ALPHA-D-MANNOSE 180.156 16 ? ? ? ? 6 water nat water 18.015 389 ? ? ? ? # _entity_poly.entity_id 1 _entity_poly.type 'polypeptide(L)' _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;SLVPRGSGDSGSPGAEYRNWSKPQCQITGFAPFSKDNSIRLSAGGDIWVTREPYVSCSPGKCYQFALGQGTTLNNKHSNG TIHDRIPHRTLLMSELGVPFHLGTKQVCIAWSSSSCHDGKAWLHVCVTGDDRNATASFIYDGMLADSIGSWSQNILRTQE SECVCINGTCTVVMTDGSASGRADTRILFIKEGKIVHISPLSGSAQHIEECSCYPRYPDVRCVCRDNWKGSNRPVIDINM ADYSIDSSYVCSGLVGDTPRNDDSSSSSNCRDPNNERGNPGVKGWAFDNGNDVWMGRTISEDSRSGYETFRVTDGWTTAN SKSQVNRQIIVDNNNWSGYSGIFSVEGKSCINRCFYVELIRGRPQETRVWWTSNSIVVFCGTSGTYGTGSWPDGANINFM PI ; _entity_poly.pdbx_seq_one_letter_code_can ;SLVPRGSGDSGSPGAEYRNWSKPQCQITGFAPFSKDNSIRLSAGGDIWVTREPYVSCSPGKCYQFALGQGTTLNNKHSNG TIHDRIPHRTLLMSELGVPFHLGTKQVCIAWSSSSCHDGKAWLHVCVTGDDRNATASFIYDGMLADSIGSWSQNILRTQE SECVCINGTCTVVMTDGSASGRADTRILFIKEGKIVHISPLSGSAQHIEECSCYPRYPDVRCVCRDNWKGSNRPVIDINM ADYSIDSSYVCSGLVGDTPRNDDSSSSSNCRDPNNERGNPGVKGWAFDNGNDVWMGRTISEDSRSGYETFRVTDGWTTAN SKSQVNRQIIVDNNNWSGYSGIFSVEGKSCINRCFYVELIRGRPQETRVWWTSNSIVVFCGTSGTYGTGSWPDGANINFM PI ; _entity_poly.pdbx_strand_id A,B,C,D _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 SER n 1 2 LEU n 1 3 VAL n 1 4 PRO n 1 5 ARG n 1 6 GLY n 1 7 SER n 1 8 GLY n 1 9 ASP n 1 10 SER n 1 11 GLY n 1 12 SER n 1 13 PRO n 1 14 GLY n 1 15 ALA n 1 16 GLU n 1 17 TYR n 1 18 ARG n 1 19 ASN n 1 20 TRP n 1 21 SER n 1 22 LYS n 1 23 PRO n 1 24 GLN n 1 25 CYS n 1 26 GLN n 1 27 ILE n 1 28 THR n 1 29 GLY n 1 30 PHE n 1 31 ALA n 1 32 PRO n 1 33 PHE n 1 34 SER n 1 35 LYS n 1 36 ASP n 1 37 ASN n 1 38 SER n 1 39 ILE n 1 40 ARG n 1 41 LEU n 1 42 SER n 1 43 ALA n 1 44 GLY n 1 45 GLY n 1 46 ASP n 1 47 ILE n 1 48 TRP n 1 49 VAL n 1 50 THR n 1 51 ARG n 1 52 GLU n 1 53 PRO n 1 54 TYR n 1 55 VAL n 1 56 SER n 1 57 CYS n 1 58 SER n 1 59 PRO n 1 60 GLY n 1 61 LYS n 1 62 CYS n 1 63 TYR n 1 64 GLN n 1 65 PHE n 1 66 ALA n 1 67 LEU n 1 68 GLY n 1 69 GLN n 1 70 GLY n 1 71 THR n 1 72 THR n 1 73 LEU n 1 74 ASN n 1 75 ASN n 1 76 LYS n 1 77 HIS n 1 78 SER n 1 79 ASN n 1 80 GLY n 1 81 THR n 1 82 ILE n 1 83 HIS n 1 84 ASP n 1 85 ARG n 1 86 ILE n 1 87 PRO n 1 88 HIS n 1 89 ARG n 1 90 THR n 1 91 LEU n 1 92 LEU n 1 93 MET n 1 94 SER n 1 95 GLU n 1 96 LEU n 1 97 GLY n 1 98 VAL n 1 99 PRO n 1 100 PHE n 1 101 HIS n 1 102 LEU n 1 103 GLY n 1 104 THR n 1 105 LYS n 1 106 GLN n 1 107 VAL n 1 108 CYS n 1 109 ILE n 1 110 ALA n 1 111 TRP n 1 112 SER n 1 113 SER n 1 114 SER n 1 115 SER n 1 116 CYS n 1 117 HIS n 1 118 ASP n 1 119 GLY n 1 120 LYS n 1 121 ALA n 1 122 TRP n 1 123 LEU n 1 124 HIS n 1 125 VAL n 1 126 CYS n 1 127 VAL n 1 128 THR n 1 129 GLY n 1 130 ASP n 1 131 ASP n 1 132 ARG n 1 133 ASN n 1 134 ALA n 1 135 THR n 1 136 ALA n 1 137 SER n 1 138 PHE n 1 139 ILE n 1 140 TYR n 1 141 ASP n 1 142 GLY n 1 143 MET n 1 144 LEU n 1 145 ALA n 1 146 ASP n 1 147 SER n 1 148 ILE n 1 149 GLY n 1 150 SER n 1 151 TRP n 1 152 SER n 1 153 GLN n 1 154 ASN n 1 155 ILE n 1 156 LEU n 1 157 ARG n 1 158 THR n 1 159 GLN n 1 160 GLU n 1 161 SER n 1 162 GLU n 1 163 CYS n 1 164 VAL n 1 165 CYS n 1 166 ILE n 1 167 ASN n 1 168 GLY n 1 169 THR n 1 170 CYS n 1 171 THR n 1 172 VAL n 1 173 VAL n 1 174 MET n 1 175 THR n 1 176 ASP n 1 177 GLY n 1 178 SER n 1 179 ALA n 1 180 SER n 1 181 GLY n 1 182 ARG n 1 183 ALA n 1 184 ASP n 1 185 THR n 1 186 ARG n 1 187 ILE n 1 188 LEU n 1 189 PHE n 1 190 ILE n 1 191 LYS n 1 192 GLU n 1 193 GLY n 1 194 LYS n 1 195 ILE n 1 196 VAL n 1 197 HIS n 1 198 ILE n 1 199 SER n 1 200 PRO n 1 201 LEU n 1 202 SER n 1 203 GLY n 1 204 SER n 1 205 ALA n 1 206 GLN n 1 207 HIS n 1 208 ILE n 1 209 GLU n 1 210 GLU n 1 211 CYS n 1 212 SER n 1 213 CYS n 1 214 TYR n 1 215 PRO n 1 216 ARG n 1 217 TYR n 1 218 PRO n 1 219 ASP n 1 220 VAL n 1 221 ARG n 1 222 CYS n 1 223 VAL n 1 224 CYS n 1 225 ARG n 1 226 ASP n 1 227 ASN n 1 228 TRP n 1 229 LYS n 1 230 GLY n 1 231 SER n 1 232 ASN n 1 233 ARG n 1 234 PRO n 1 235 VAL n 1 236 ILE n 1 237 ASP n 1 238 ILE n 1 239 ASN n 1 240 MET n 1 241 ALA n 1 242 ASP n 1 243 TYR n 1 244 SER n 1 245 ILE n 1 246 ASP n 1 247 SER n 1 248 SER n 1 249 TYR n 1 250 VAL n 1 251 CYS n 1 252 SER n 1 253 GLY n 1 254 LEU n 1 255 VAL n 1 256 GLY n 1 257 ASP n 1 258 THR n 1 259 PRO n 1 260 ARG n 1 261 ASN n 1 262 ASP n 1 263 ASP n 1 264 SER n 1 265 SER n 1 266 SER n 1 267 SER n 1 268 SER n 1 269 ASN n 1 270 CYS n 1 271 ARG n 1 272 ASP n 1 273 PRO n 1 274 ASN n 1 275 ASN n 1 276 GLU n 1 277 ARG n 1 278 GLY n 1 279 ASN n 1 280 PRO n 1 281 GLY n 1 282 VAL n 1 283 LYS n 1 284 GLY n 1 285 TRP n 1 286 ALA n 1 287 PHE n 1 288 ASP n 1 289 ASN n 1 290 GLY n 1 291 ASN n 1 292 ASP n 1 293 VAL n 1 294 TRP n 1 295 MET n 1 296 GLY n 1 297 ARG n 1 298 THR n 1 299 ILE n 1 300 SER n 1 301 GLU n 1 302 ASP n 1 303 SER n 1 304 ARG n 1 305 SER n 1 306 GLY n 1 307 TYR n 1 308 GLU n 1 309 THR n 1 310 PHE n 1 311 ARG n 1 312 VAL n 1 313 THR n 1 314 ASP n 1 315 GLY n 1 316 TRP n 1 317 THR n 1 318 THR n 1 319 ALA n 1 320 ASN n 1 321 SER n 1 322 LYS n 1 323 SER n 1 324 GLN n 1 325 VAL n 1 326 ASN n 1 327 ARG n 1 328 GLN n 1 329 ILE n 1 330 ILE n 1 331 VAL n 1 332 ASP n 1 333 ASN n 1 334 ASN n 1 335 ASN n 1 336 TRP n 1 337 SER n 1 338 GLY n 1 339 TYR n 1 340 SER n 1 341 GLY n 1 342 ILE n 1 343 PHE n 1 344 SER n 1 345 VAL n 1 346 GLU n 1 347 GLY n 1 348 LYS n 1 349 SER n 1 350 CYS n 1 351 ILE n 1 352 ASN n 1 353 ARG n 1 354 CYS n 1 355 PHE n 1 356 TYR n 1 357 VAL n 1 358 GLU n 1 359 LEU n 1 360 ILE n 1 361 ARG n 1 362 GLY n 1 363 ARG n 1 364 PRO n 1 365 GLN n 1 366 GLU n 1 367 THR n 1 368 ARG n 1 369 VAL n 1 370 TRP n 1 371 TRP n 1 372 THR n 1 373 SER n 1 374 ASN n 1 375 SER n 1 376 ILE n 1 377 VAL n 1 378 VAL n 1 379 PHE n 1 380 CYS n 1 381 GLY n 1 382 THR n 1 383 SER n 1 384 GLY n 1 385 THR n 1 386 TYR n 1 387 GLY n 1 388 THR n 1 389 GLY n 1 390 SER n 1 391 TRP n 1 392 PRO n 1 393 ASP n 1 394 GLY n 1 395 ALA n 1 396 ASN n 1 397 ILE n 1 398 ASN n 1 399 PHE n 1 400 MET n 1 401 PRO n 1 402 ILE n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type 'Biological sequence' _entity_src_gen.pdbx_beg_seq_num 1 _entity_src_gen.pdbx_end_seq_num 402 _entity_src_gen.gene_src_common_name ? _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene NA _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain 'A/Northern pintail/Washington/40964/2014(H5N2)' _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 'Influenza A virus (A/Northern pintail/Washington/40964/2014(H5N2))' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 1589662 _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 'Trichoplusia ni' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7111 _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 ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code A0A0C4WXC5_9INFA _struct_ref.pdbx_db_accession A0A0C4WXC5 _struct_ref.pdbx_db_isoform ? _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;EYRNWSKPQCQITGFAPFSKDNSIRLSAGGDIWVTREPYVSCSPGKCYQFALGQGTTLNNKHSNGTIHDRIPHRTLLMSE LGVPFHLGTKQVCIAWSSSSCHDGKAWLHVCVTGDDRNATASFIYDGMLADSIGSWSQNILRTQESECVCINGTCTVVMT DGSASGRADTRILFIKEGKIVHISPLSGSAQHIEECSCYPRYPDVRCVCRDNWKGSNRPVIDINMADYSIDSSYVCSGLV GDTPRNDDSSSSSNCRDPNNERGNPGVKGWAFDNGNDVWMGRTISEDSRSGYETFRVTDGWTTANSKSQVNRQIIVDNNN WSGYSGIFSVEGKSCINRCFYVELIRGRPQETRVWWTSNSIVVFCGTSGTYGTGSWPDGANINFMPI ; _struct_ref.pdbx_align_begin 83 # 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 5HUK A 16 ? 402 ? A0A0C4WXC5 83 ? 469 ? 83 469 2 1 5HUK B 16 ? 402 ? A0A0C4WXC5 83 ? 469 ? 83 469 3 1 5HUK C 16 ? 402 ? A0A0C4WXC5 83 ? 469 ? 83 469 4 1 5HUK D 16 ? 402 ? A0A0C4WXC5 83 ? 469 ? 83 469 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 5HUK SER A 1 ? UNP A0A0C4WXC5 ? ? 'expression tag' 68 1 1 5HUK LEU A 2 ? UNP A0A0C4WXC5 ? ? 'expression tag' 69 2 1 5HUK VAL A 3 ? UNP A0A0C4WXC5 ? ? 'expression tag' 70 3 1 5HUK PRO A 4 ? UNP A0A0C4WXC5 ? ? 'expression tag' 71 4 1 5HUK ARG A 5 ? UNP A0A0C4WXC5 ? ? 'expression tag' 72 5 1 5HUK GLY A 6 ? UNP A0A0C4WXC5 ? ? 'expression tag' 73 6 1 5HUK SER A 7 ? UNP A0A0C4WXC5 ? ? 'expression tag' 74 7 1 5HUK GLY A 8 ? UNP A0A0C4WXC5 ? ? 'expression tag' 75 8 1 5HUK ASP A 9 ? UNP A0A0C4WXC5 ? ? 'expression tag' 76 9 1 5HUK SER A 10 ? UNP A0A0C4WXC5 ? ? 'expression tag' 77 10 1 5HUK GLY A 11 ? UNP A0A0C4WXC5 ? ? 'expression tag' 78 11 1 5HUK SER A 12 ? UNP A0A0C4WXC5 ? ? 'expression tag' 79 12 1 5HUK PRO A 13 ? UNP A0A0C4WXC5 ? ? 'expression tag' 80 13 1 5HUK GLY A 14 ? UNP A0A0C4WXC5 ? ? 'expression tag' 81 14 1 5HUK ALA A 15 ? UNP A0A0C4WXC5 ? ? 'expression tag' 82 15 2 5HUK SER B 1 ? UNP A0A0C4WXC5 ? ? 'expression tag' 68 16 2 5HUK LEU B 2 ? UNP A0A0C4WXC5 ? ? 'expression tag' 69 17 2 5HUK VAL B 3 ? UNP A0A0C4WXC5 ? ? 'expression tag' 70 18 2 5HUK PRO B 4 ? UNP A0A0C4WXC5 ? ? 'expression tag' 71 19 2 5HUK ARG B 5 ? UNP A0A0C4WXC5 ? ? 'expression tag' 72 20 2 5HUK GLY B 6 ? UNP A0A0C4WXC5 ? ? 'expression tag' 73 21 2 5HUK SER B 7 ? UNP A0A0C4WXC5 ? ? 'expression tag' 74 22 2 5HUK GLY B 8 ? UNP A0A0C4WXC5 ? ? 'expression tag' 75 23 2 5HUK ASP B 9 ? UNP A0A0C4WXC5 ? ? 'expression tag' 76 24 2 5HUK SER B 10 ? UNP A0A0C4WXC5 ? ? 'expression tag' 77 25 2 5HUK GLY B 11 ? UNP A0A0C4WXC5 ? ? 'expression tag' 78 26 2 5HUK SER B 12 ? UNP A0A0C4WXC5 ? ? 'expression tag' 79 27 2 5HUK PRO B 13 ? UNP A0A0C4WXC5 ? ? 'expression tag' 80 28 2 5HUK GLY B 14 ? UNP A0A0C4WXC5 ? ? 'expression tag' 81 29 2 5HUK ALA B 15 ? UNP A0A0C4WXC5 ? ? 'expression tag' 82 30 3 5HUK SER C 1 ? UNP A0A0C4WXC5 ? ? 'expression tag' 68 31 3 5HUK LEU C 2 ? UNP A0A0C4WXC5 ? ? 'expression tag' 69 32 3 5HUK VAL C 3 ? UNP A0A0C4WXC5 ? ? 'expression tag' 70 33 3 5HUK PRO C 4 ? UNP A0A0C4WXC5 ? ? 'expression tag' 71 34 3 5HUK ARG C 5 ? UNP A0A0C4WXC5 ? ? 'expression tag' 72 35 3 5HUK GLY C 6 ? UNP A0A0C4WXC5 ? ? 'expression tag' 73 36 3 5HUK SER C 7 ? UNP A0A0C4WXC5 ? ? 'expression tag' 74 37 3 5HUK GLY C 8 ? UNP A0A0C4WXC5 ? ? 'expression tag' 75 38 3 5HUK ASP C 9 ? UNP A0A0C4WXC5 ? ? 'expression tag' 76 39 3 5HUK SER C 10 ? UNP A0A0C4WXC5 ? ? 'expression tag' 77 40 3 5HUK GLY C 11 ? UNP A0A0C4WXC5 ? ? 'expression tag' 78 41 3 5HUK SER C 12 ? UNP A0A0C4WXC5 ? ? 'expression tag' 79 42 3 5HUK PRO C 13 ? UNP A0A0C4WXC5 ? ? 'expression tag' 80 43 3 5HUK GLY C 14 ? UNP A0A0C4WXC5 ? ? 'expression tag' 81 44 3 5HUK ALA C 15 ? UNP A0A0C4WXC5 ? ? 'expression tag' 82 45 4 5HUK SER D 1 ? UNP A0A0C4WXC5 ? ? 'expression tag' 68 46 4 5HUK LEU D 2 ? UNP A0A0C4WXC5 ? ? 'expression tag' 69 47 4 5HUK VAL D 3 ? UNP A0A0C4WXC5 ? ? 'expression tag' 70 48 4 5HUK PRO D 4 ? UNP A0A0C4WXC5 ? ? 'expression tag' 71 49 4 5HUK ARG D 5 ? UNP A0A0C4WXC5 ? ? 'expression tag' 72 50 4 5HUK GLY D 6 ? UNP A0A0C4WXC5 ? ? 'expression tag' 73 51 4 5HUK SER D 7 ? UNP A0A0C4WXC5 ? ? 'expression tag' 74 52 4 5HUK GLY D 8 ? UNP A0A0C4WXC5 ? ? 'expression tag' 75 53 4 5HUK ASP D 9 ? UNP A0A0C4WXC5 ? ? 'expression tag' 76 54 4 5HUK SER D 10 ? UNP A0A0C4WXC5 ? ? 'expression tag' 77 55 4 5HUK GLY D 11 ? UNP A0A0C4WXC5 ? ? 'expression tag' 78 56 4 5HUK SER D 12 ? UNP A0A0C4WXC5 ? ? 'expression tag' 79 57 4 5HUK PRO D 13 ? UNP A0A0C4WXC5 ? ? 'expression tag' 80 58 4 5HUK GLY D 14 ? UNP A0A0C4WXC5 ? ? 'expression tag' 81 59 4 5HUK ALA D 15 ? UNP A0A0C4WXC5 ? ? 'expression tag' 82 60 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 BMA D-saccharide . BETA-D-MANNOSE ? 'C6 H12 O6' 180.156 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 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 5HUK _exptl.crystals_number 1 _exptl.details ? _exptl.method 'X-RAY DIFFRACTION' _exptl.method_details ? # _exptl_crystal.colour ? _exptl_crystal.density_diffrn ? _exptl_crystal.density_Matthews 3.58 _exptl_crystal.density_method ? _exptl_crystal.density_percent_sol 65.60 _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 MICROBATCH _exptl_crystal_grow.method_ref ? _exptl_crystal_grow.pH ? _exptl_crystal_grow.pressure ? _exptl_crystal_grow.pressure_esd ? _exptl_crystal_grow.seeding ? _exptl_crystal_grow.seeding_ref ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.temp_esd ? _exptl_crystal_grow.time ? _exptl_crystal_grow.pdbx_details '0.1M Sodium Citrate: Citric acid, pH 5.5, 40% PEG (v/v) 600' _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 'MARMOSAIC 325 mm CCD' _diffrn_detector.area_resol_mean ? _diffrn_detector.dtime ? _diffrn_detector.pdbx_frames_total ? _diffrn_detector.pdbx_collection_time_total ? _diffrn_detector.pdbx_collection_date 2015-06-06 # _diffrn_radiation.collimation ? _diffrn_radiation.diffrn_id 1 _diffrn_radiation.filter_edge ? _diffrn_radiation.inhomogeneity ? _diffrn_radiation.monochromator ? _diffrn_radiation.polarisn_norm ? _diffrn_radiation.polarisn_ratio ? _diffrn_radiation.probe ? _diffrn_radiation.type ? _diffrn_radiation.xray_symbol ? _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.pdbx_wavelength_list ? _diffrn_radiation.pdbx_wavelength ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_analyzer ? _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.0 _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 'APS BEAMLINE 22-ID' _diffrn_source.voltage ? _diffrn_source.take-off_angle ? _diffrn_source.pdbx_wavelength_list 1.0 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_synchrotron_beamline 22-ID _diffrn_source.pdbx_synchrotron_site APS # _reflns.B_iso_Wilson_estimate ? _reflns.entry_id 5HUK _reflns.data_reduction_details ? _reflns.data_reduction_method ? _reflns.d_resolution_high 2.45 _reflns.d_resolution_low 50 _reflns.details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.number_all ? _reflns.number_obs 91882 _reflns.observed_criterion ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.observed_criterion_I_max ? _reflns.observed_criterion_I_min ? _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.percent_possible_obs 98.3 _reflns.R_free_details ? _reflns.Rmerge_F_all ? _reflns.Rmerge_F_obs ? _reflns.Friedel_coverage ? _reflns.number_gt ? _reflns.threshold_expression ? _reflns.pdbx_redundancy 6.2 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rmerge_I_all ? _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_av_sigmaI ? _reflns.pdbx_netI_over_sigmaI 24.9 _reflns.pdbx_res_netI_over_av_sigmaI_2 ? _reflns.pdbx_res_netI_over_sigmaI_2 ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_d_res_high_opt ? _reflns.pdbx_d_res_low_opt ? _reflns.pdbx_d_res_opt_method ? _reflns.phase_calculation_details ? _reflns.pdbx_Rrim_I_all ? _reflns.pdbx_Rpim_I_all ? _reflns.pdbx_d_opt ? _reflns.pdbx_number_measured_all ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 _reflns.pdbx_CC_half ? _reflns.pdbx_R_split ? # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 5HUK _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.ls_number_reflns_obs 87337 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 50.00 _refine.ls_d_res_high 2.45 _refine.ls_percent_reflns_obs 98.27 _refine.ls_R_factor_obs 0.15864 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.15724 _refine.ls_R_factor_R_free 0.18455 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.0 _refine.ls_number_reflns_R_free 4626 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.959 _refine.correlation_coeff_Fo_to_Fc_free 0.952 _refine.B_iso_mean 46.004 _refine.aniso_B[1][1] 0.54 _refine.aniso_B[2][2] -1.71 _refine.aniso_B[3][3] 1.17 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct ? _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.238 _refine.pdbx_overall_ESU_R_Free 0.178 _refine.overall_SU_ML 0.120 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 10.920 _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 12004 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 518 _refine_hist.number_atoms_solvent 389 _refine_hist.number_atoms_total 12911 _refine_hist.d_res_high 2.45 _refine_hist.d_res_low 50.00 # 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 r_bond_refined_d 0.018 0.019 ? 12915 'X-RAY DIFFRACTION' ? r_bond_other_d 0.009 0.020 ? 11339 'X-RAY DIFFRACTION' ? r_angle_refined_deg 2.009 1.964 ? 17630 'X-RAY DIFFRACTION' ? r_angle_other_deg 1.334 3.000 ? 26018 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 7.558 5.000 ? 1556 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 36.075 23.630 ? 584 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 14.046 15.000 ? 1928 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 17.034 15.000 ? 96 'X-RAY DIFFRACTION' ? r_chiral_restr 0.124 0.200 ? 1965 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.011 0.021 ? 14545 'X-RAY DIFFRACTION' ? r_gen_planes_other 0.007 0.020 ? 3061 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 3.340 3.818 ? 6224 'X-RAY DIFFRACTION' ? r_mcbond_other 3.333 3.817 ? 6223 'X-RAY DIFFRACTION' ? r_mcangle_it 4.511 5.721 ? 7780 'X-RAY DIFFRACTION' ? r_mcangle_other 4.512 5.722 ? 7781 'X-RAY DIFFRACTION' ? r_scbond_it 5.213 4.495 ? 6691 'X-RAY DIFFRACTION' ? r_scbond_other 5.207 4.495 ? 6691 'X-RAY DIFFRACTION' ? r_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? r_scangle_other 7.413 6.571 ? 9851 'X-RAY DIFFRACTION' ? r_long_range_B_refined 8.482 32.280 ? 14189 'X-RAY DIFFRACTION' ? r_long_range_B_other 8.495 32.182 ? 14090 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_restr_ncs.pdbx_refine_id _refine_ls_restr_ncs.dom_id _refine_ls_restr_ncs.pdbx_ens_id _refine_ls_restr_ncs.pdbx_ordinal _refine_ls_restr_ncs.ncs_model_details _refine_ls_restr_ncs.rms_dev_position _refine_ls_restr_ncs.weight_position _refine_ls_restr_ncs.rms_dev_B_iso _refine_ls_restr_ncs.weight_B_iso _refine_ls_restr_ncs.pdbx_auth_asym_id _refine_ls_restr_ncs.pdbx_number _refine_ls_restr_ncs.pdbx_type 'X-RAY DIFFRACTION' 1 1 1 ? 0.06 0.05 ? ? A 22826 'interatomic distance' 'X-RAY DIFFRACTION' 2 1 2 ? 0.06 0.05 ? ? B 22826 'interatomic distance' 'X-RAY DIFFRACTION' 1 2 3 ? 0.07 0.05 ? ? A 22740 'interatomic distance' 'X-RAY DIFFRACTION' 2 2 4 ? 0.07 0.05 ? ? C 22740 'interatomic distance' 'X-RAY DIFFRACTION' 1 3 5 ? 0.07 0.05 ? ? A 22535 'interatomic distance' 'X-RAY DIFFRACTION' 2 3 6 ? 0.07 0.05 ? ? D 22535 'interatomic distance' 'X-RAY DIFFRACTION' 1 4 7 ? 0.07 0.05 ? ? B 22660 'interatomic distance' 'X-RAY DIFFRACTION' 2 4 8 ? 0.07 0.05 ? ? C 22660 'interatomic distance' 'X-RAY DIFFRACTION' 1 5 9 ? 0.07 0.05 ? ? B 22635 'interatomic distance' 'X-RAY DIFFRACTION' 2 5 10 ? 0.07 0.05 ? ? D 22635 'interatomic distance' 'X-RAY DIFFRACTION' 1 6 11 ? 0.05 0.05 ? ? C 22866 'interatomic distance' 'X-RAY DIFFRACTION' 2 6 12 ? 0.05 0.05 ? ? D 22866 'interatomic distance' # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.450 _refine_ls_shell.d_res_low 2.513 _refine_ls_shell.number_reflns_R_work 6141 _refine_ls_shell.R_factor_R_work 0.203 _refine_ls_shell.percent_reflns_obs 95.86 _refine_ls_shell.R_factor_R_free 0.241 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 385 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? # loop_ _struct_ncs_dom.id _struct_ncs_dom.details _struct_ncs_dom.pdbx_ens_id 1 A 1 2 B 1 1 A 2 2 C 2 1 A 3 2 D 3 1 B 4 2 C 4 1 B 5 2 D 5 1 C 6 2 D 6 # loop_ _struct_ncs_dom_lim.dom_id _struct_ncs_dom_lim.beg_auth_asym_id _struct_ncs_dom_lim.beg_auth_seq_id _struct_ncs_dom_lim.end_auth_asym_id _struct_ncs_dom_lim.end_auth_seq_id _struct_ncs_dom_lim.pdbx_component_id _struct_ncs_dom_lim.pdbx_refine_code _struct_ncs_dom_lim.beg_label_asym_id _struct_ncs_dom_lim.beg_label_comp_id _struct_ncs_dom_lim.beg_label_seq_id _struct_ncs_dom_lim.beg_label_alt_id _struct_ncs_dom_lim.end_label_asym_id _struct_ncs_dom_lim.end_label_comp_id _struct_ncs_dom_lim.end_label_seq_id _struct_ncs_dom_lim.end_label_alt_id _struct_ncs_dom_lim.pdbx_ens_id _struct_ncs_dom_lim.selection_details 1 A 82 A 469 0 0 ? ? ? ? ? ? ? ? 1 ? 2 B 82 B 469 0 0 ? ? ? ? ? ? ? ? 1 ? 1 A 82 A 469 0 0 ? ? ? ? ? ? ? ? 2 ? 2 C 82 C 469 0 0 ? ? ? ? ? ? ? ? 2 ? 1 A 82 A 469 0 0 ? ? ? ? ? ? ? ? 3 ? 2 D 82 D 469 0 0 ? ? ? ? ? ? ? ? 3 ? 1 B 82 B 469 0 0 ? ? ? ? ? ? ? ? 4 ? 2 C 82 C 469 0 0 ? ? ? ? ? ? ? ? 4 ? 1 B 82 B 469 0 0 ? ? ? ? ? ? ? ? 5 ? 2 D 82 D 469 0 0 ? ? ? ? ? ? ? ? 5 ? 1 C 82 C 469 0 0 ? ? ? ? ? ? ? ? 6 ? 2 D 82 D 469 0 0 ? ? ? ? ? ? ? ? 6 ? # loop_ _struct_ncs_ens.id _struct_ncs_ens.details 1 ? 2 ? 3 ? 4 ? 5 ? 6 ? # _struct.entry_id 5HUK _struct.title 'The crystal structure of neuraminidase from A/Northern pintail/Washington/40964/2014 influenza virus' _struct.pdbx_descriptor 'Neuraminidase (E.C.3.2.1.18)' _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 5HUK _struct_keywords.text 'Neuraminidase, influenza virus, H5Nx, VIRAL PROTEIN' _struct_keywords.pdbx_keywords 'VIRAL PROTEIN' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 1 ? D N N 1 ? E N N 2 ? F N N 3 ? G N N 3 ? H N N 3 ? I N N 3 ? J N N 3 ? K N N 3 ? L N N 4 ? M N N 5 ? N N N 5 ? O N N 5 ? P N N 5 ? Q N N 2 ? R N N 3 ? S N N 3 ? T N N 3 ? U N N 3 ? V N N 3 ? W N N 4 ? X N N 5 ? Y N N 5 ? Z N N 5 ? AA N N 5 ? BA N N 2 ? CA N N 3 ? DA N N 3 ? EA N N 3 ? FA N N 3 ? GA N N 3 ? HA N N 4 ? IA N N 5 ? JA N N 5 ? KA N N 5 ? LA N N 5 ? MA N N 2 ? NA N N 3 ? OA N N 3 ? PA N N 3 ? QA N N 3 ? RA N N 3 ? SA N N 4 ? TA N N 5 ? UA N N 5 ? VA N N 5 ? WA N N 5 ? XA N N 6 ? YA N N 6 ? ZA N N 6 ? AB N N 6 ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 AA1 ASN A 37 ? ALA A 43 ? ASN A 104 ALA A 110 1 ? 7 HELX_P HELX_P2 AA2 ASN A 75 ? ASN A 79 ? ASN A 142 ASN A 146 5 ? 5 HELX_P HELX_P3 AA3 ASN A 396 ? MET A 400 ? ASN A 463 MET A 467 5 ? 5 HELX_P HELX_P4 AA4 ASN B 75 ? ASN B 79 ? ASN B 142 ASN B 146 5 ? 5 HELX_P HELX_P5 AA5 ASN B 396 ? MET B 400 ? ASN B 463 MET B 467 5 ? 5 HELX_P HELX_P6 AA6 ASN C 37 ? ALA C 43 ? ASN C 104 ALA C 110 1 ? 7 HELX_P HELX_P7 AA7 ASN C 75 ? ASN C 79 ? ASN C 142 ASN C 146 5 ? 5 HELX_P HELX_P8 AA8 ASN C 396 ? MET C 400 ? ASN C 463 MET C 467 5 ? 5 HELX_P HELX_P9 AA9 ASN D 37 ? ALA D 43 ? ASN D 104 ALA D 110 1 ? 7 HELX_P HELX_P10 AB1 ASN D 75 ? ASN D 79 ? ASN D 142 ASN D 146 5 ? 5 HELX_P HELX_P11 AB2 ASN D 396 ? MET D 400 ? ASN D 463 MET D 467 5 ? 5 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 25 SG ? ? ? 1_555 A CYS 350 SG ? ? A CYS 92 A CYS 417 1_555 ? ? ? ? ? ? ? 2.141 ? disulf2 disulf ? ? A CYS 57 SG ? ? ? 1_555 A CYS 62 SG ? ? A CYS 124 A CYS 129 1_555 ? ? ? ? ? ? ? 2.120 ? disulf3 disulf ? ? A CYS 108 SG ? ? ? 1_555 A CYS 126 SG ? ? A CYS 175 A CYS 193 1_555 ? ? ? ? ? ? ? 2.009 ? disulf4 disulf ? ? A CYS 116 SG ? ? ? 1_555 A CYS 163 SG ? ? A CYS 183 A CYS 230 1_555 ? ? ? ? ? ? ? 2.140 ? disulf5 disulf ? ? A CYS 165 SG ? ? ? 1_555 A CYS 170 SG ? ? A CYS 232 A CYS 237 1_555 ? ? ? ? ? ? ? 2.117 ? disulf6 disulf ? ? A CYS 211 SG ? ? ? 1_555 A CYS 224 SG ? ? A CYS 278 A CYS 291 1_555 ? ? ? ? ? ? ? 2.254 ? disulf7 disulf ? ? A CYS 213 SG ? ? ? 1_555 A CYS 222 SG ? ? A CYS 280 A CYS 289 1_555 ? ? ? ? ? ? ? 2.170 ? disulf8 disulf ? ? A CYS 251 SG ? ? ? 1_555 A CYS 270 SG ? ? A CYS 318 A CYS 337 1_555 ? ? ? ? ? ? ? 2.161 ? disulf9 disulf ? ? A CYS 354 SG ? ? ? 1_555 A CYS 380 SG ? ? A CYS 421 A CYS 447 1_555 ? ? ? ? ? ? ? 2.217 ? disulf10 disulf ? ? B CYS 25 SG ? ? ? 1_555 B CYS 350 SG ? ? B CYS 92 B CYS 417 1_555 ? ? ? ? ? ? ? 2.141 ? disulf11 disulf ? ? B CYS 57 SG ? ? ? 1_555 B CYS 62 SG ? ? B CYS 124 B CYS 129 1_555 ? ? ? ? ? ? ? 2.132 ? disulf12 disulf ? ? B CYS 108 SG ? ? ? 1_555 B CYS 126 SG ? ? B CYS 175 B CYS 193 1_555 ? ? ? ? ? ? ? 2.010 ? disulf13 disulf ? ? B CYS 116 SG ? ? ? 1_555 B CYS 163 SG ? ? B CYS 183 B CYS 230 1_555 ? ? ? ? ? ? ? 2.125 ? disulf14 disulf ? ? B CYS 165 SG ? ? ? 1_555 B CYS 170 SG ? ? B CYS 232 B CYS 237 1_555 ? ? ? ? ? ? ? 2.129 ? disulf15 disulf ? ? B CYS 211 SG ? ? ? 1_555 B CYS 224 SG ? ? B CYS 278 B CYS 291 1_555 ? ? ? ? ? ? ? 2.248 ? disulf16 disulf ? ? B CYS 213 SG ? ? ? 1_555 B CYS 222 SG ? ? B CYS 280 B CYS 289 1_555 ? ? ? ? ? ? ? 2.135 ? disulf17 disulf ? ? B CYS 251 SG ? ? ? 1_555 B CYS 270 SG ? ? B CYS 318 B CYS 337 1_555 ? ? ? ? ? ? ? 2.165 ? disulf18 disulf ? ? B CYS 354 SG ? ? ? 1_555 B CYS 380 SG ? ? B CYS 421 B CYS 447 1_555 ? ? ? ? ? ? ? 2.228 ? disulf19 disulf ? ? C CYS 25 SG ? ? ? 1_555 C CYS 350 SG ? ? C CYS 92 C CYS 417 1_555 ? ? ? ? ? ? ? 2.163 ? disulf20 disulf ? ? C CYS 57 SG ? ? ? 1_555 C CYS 62 SG ? ? C CYS 124 C CYS 129 1_555 ? ? ? ? ? ? ? 2.112 ? disulf21 disulf ? ? C CYS 108 SG ? ? ? 1_555 C CYS 126 SG ? ? C CYS 175 C CYS 193 1_555 ? ? ? ? ? ? ? 1.986 ? disulf22 disulf ? ? C CYS 116 SG ? ? ? 1_555 C CYS 163 SG ? ? C CYS 183 C CYS 230 1_555 ? ? ? ? ? ? ? 2.095 ? disulf23 disulf ? ? C CYS 165 SG ? ? ? 1_555 C CYS 170 SG ? ? C CYS 232 C CYS 237 1_555 ? ? ? ? ? ? ? 2.158 ? disulf24 disulf ? ? C CYS 211 SG ? ? ? 1_555 C CYS 224 SG ? ? C CYS 278 C CYS 291 1_555 ? ? ? ? ? ? ? 2.251 ? disulf25 disulf ? ? C CYS 213 SG ? ? ? 1_555 C CYS 222 SG ? ? C CYS 280 C CYS 289 1_555 ? ? ? ? ? ? ? 2.131 ? disulf26 disulf ? ? C CYS 251 SG ? ? ? 1_555 C CYS 270 SG ? ? C CYS 318 C CYS 337 1_555 ? ? ? ? ? ? ? 2.150 ? disulf27 disulf ? ? C CYS 354 SG ? ? ? 1_555 C CYS 380 SG ? ? C CYS 421 C CYS 447 1_555 ? ? ? ? ? ? ? 2.175 ? disulf28 disulf ? ? D CYS 25 SG ? ? ? 1_555 D CYS 350 SG ? ? D CYS 92 D CYS 417 1_555 ? ? ? ? ? ? ? 2.139 ? disulf29 disulf ? ? D CYS 57 SG ? ? ? 1_555 D CYS 62 SG ? ? D CYS 124 D CYS 129 1_555 ? ? ? ? ? ? ? 2.135 ? disulf30 disulf ? ? D CYS 108 SG ? ? ? 1_555 D CYS 126 SG ? ? D CYS 175 D CYS 193 1_555 ? ? ? ? ? ? ? 1.970 ? disulf31 disulf ? ? D CYS 116 SG ? ? ? 1_555 D CYS 163 SG ? ? D CYS 183 D CYS 230 1_555 ? ? ? ? ? ? ? 2.097 ? disulf32 disulf ? ? D CYS 165 SG ? ? ? 1_555 D CYS 170 SG ? ? D CYS 232 D CYS 237 1_555 ? ? ? ? ? ? ? 2.192 ? disulf33 disulf ? ? D CYS 211 SG ? ? ? 1_555 D CYS 224 SG ? ? D CYS 278 D CYS 291 1_555 ? ? ? ? ? ? ? 2.217 ? disulf34 disulf ? ? D CYS 213 SG ? ? ? 1_555 D CYS 222 SG ? ? D CYS 280 D CYS 289 1_555 ? ? ? ? ? ? ? 2.110 ? disulf35 disulf ? ? D CYS 251 SG ? ? ? 1_555 D CYS 270 SG ? ? D CYS 318 D CYS 337 1_555 ? ? ? ? ? ? ? 2.149 ? disulf36 disulf ? ? D CYS 354 SG ? ? ? 1_555 D CYS 380 SG ? ? D CYS 421 D CYS 447 1_555 ? ? ? ? ? ? ? 2.174 ? covale1 covale one ? A ASN 79 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 146 A NAG 502 1_555 ? ? ? ? ? ? ? 1.453 ? covale2 covale one ? A ASN 133 ND2 ? ? ? 1_555 J NAG . C1 ? ? A ASN 200 A NAG 506 1_555 ? ? ? ? ? ? ? 1.452 ? covale3 covale one ? A ASN 167 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 234 A NAG 504 1_555 ? ? ? ? ? ? ? 1.460 ? metalc1 metalc ? ? A ASP 226 O ? ? ? 1_555 E CA . CA ? ? A ASP 293 A CA 501 1_555 ? ? ? ? ? ? ? 2.384 ? metalc2 metalc ? ? A GLY 230 O ? ? ? 1_555 E CA . CA ? ? A GLY 297 A CA 501 1_555 ? ? ? ? ? ? ? 2.514 ? metalc3 metalc ? ? A ASP 257 OD2 ? ? ? 1_555 E CA . CA ? ? A ASP 324 A CA 501 1_555 ? ? ? ? ? ? ? 2.603 ? metalc4 metalc ? ? A GLY 278 O ? ? ? 1_555 E CA . CA ? ? A GLY 345 A CA 501 1_555 ? ? ? ? ? ? ? 2.266 ? covale4 covale one ? B ASN 79 ND2 ? ? ? 1_555 R NAG . C1 ? ? B ASN 146 B NAG 502 1_555 ? ? ? ? ? ? ? 1.442 ? covale5 covale one ? B ASN 133 ND2 ? ? ? 1_555 U NAG . C1 ? ? B ASN 200 B NAG 505 1_555 ? ? ? ? ? ? ? 1.493 ? covale6 covale one ? B ASN 167 ND2 ? ? ? 1_555 T NAG . C1 ? ? B ASN 234 B NAG 504 1_555 ? ? ? ? ? ? ? 1.476 ? metalc5 metalc ? ? B ASP 226 O ? ? ? 1_555 Q CA . CA ? ? B ASP 293 B CA 501 1_555 ? ? ? ? ? ? ? 2.255 ? metalc6 metalc ? ? B GLY 230 O ? ? ? 1_555 Q CA . CA ? ? B GLY 297 B CA 501 1_555 ? ? ? ? ? ? ? 2.593 ? metalc7 metalc ? ? B ASP 257 OD2 ? ? ? 1_555 Q CA . CA ? ? B ASP 324 B CA 501 1_555 ? ? ? ? ? ? ? 2.520 ? metalc8 metalc ? ? B GLY 278 O ? ? ? 1_555 Q CA . CA ? ? B GLY 345 B CA 501 1_555 ? ? ? ? ? ? ? 2.362 ? covale7 covale one ? C ASN 79 ND2 ? ? ? 1_555 CA NAG . C1 ? ? C ASN 146 C NAG 502 1_555 ? ? ? ? ? ? ? 1.443 ? covale8 covale one ? C ASN 133 ND2 ? ? ? 1_555 FA NAG . C1 ? ? C ASN 200 C NAG 505 1_555 ? ? ? ? ? ? ? 1.446 ? covale9 covale one ? C ASN 167 ND2 ? ? ? 1_555 EA NAG . C1 ? ? C ASN 234 C NAG 504 1_555 ? ? ? ? ? ? ? 1.464 ? metalc9 metalc ? ? C ASP 226 O ? ? ? 1_555 BA CA . CA ? ? C ASP 293 C CA 501 1_555 ? ? ? ? ? ? ? 2.264 ? metalc10 metalc ? ? C GLY 230 O ? ? ? 1_555 BA CA . CA ? ? C GLY 297 C CA 501 1_555 ? ? ? ? ? ? ? 2.364 ? metalc11 metalc ? ? C ASP 257 OD2 ? ? ? 1_555 BA CA . CA ? ? C ASP 324 C CA 501 1_555 ? ? ? ? ? ? ? 2.562 ? metalc12 metalc ? ? C GLY 278 O ? ? ? 1_555 BA CA . CA ? ? C GLY 345 C CA 501 1_555 ? ? ? ? ? ? ? 2.432 ? covale10 covale one ? D ASN 79 ND2 ? ? ? 1_555 NA NAG . C1 ? ? D ASN 146 D NAG 502 1_555 ? ? ? ? ? ? ? 1.456 ? covale11 covale one ? D ASN 133 ND2 ? ? ? 1_555 QA NAG . C1 ? ? D ASN 200 D NAG 505 1_555 ? ? ? ? ? ? ? 1.470 ? covale12 covale one ? D ASN 167 ND2 ? ? ? 1_555 PA NAG . C1 ? ? D ASN 234 D NAG 504 1_555 ? ? ? ? ? ? ? 1.469 ? metalc13 metalc ? ? D ASP 226 O ? ? ? 1_555 MA CA . CA ? ? D ASP 293 D CA 501 1_555 ? ? ? ? ? ? ? 2.160 ? metalc14 metalc ? ? D GLY 230 O ? ? ? 1_555 MA CA . CA ? ? D GLY 297 D CA 501 1_555 ? ? ? ? ? ? ? 2.375 ? metalc15 metalc ? ? D ASP 257 OD2 ? ? ? 1_555 MA CA . CA ? ? D ASP 324 D CA 501 1_555 ? ? ? ? ? ? ? 2.460 ? metalc16 metalc ? ? D GLY 278 O ? ? ? 1_555 MA CA . CA ? ? D GLY 345 D CA 501 1_555 ? ? ? ? ? ? ? 2.468 ? metalc17 metalc ? ? E CA . CA ? ? ? 1_555 XA HOH . O ? ? A CA 501 A HOH 645 1_555 ? ? ? ? ? ? ? 2.402 ? covale13 covale both ? F NAG . O4 ? ? ? 1_555 G NAG . C1 ? ? A NAG 502 A NAG 503 1_555 ? ? ? ? ? ? ? 1.454 ? covale14 covale both ? H NAG . O4 ? ? ? 1_555 I NAG . C1 ? ? A NAG 504 A NAG 505 1_555 ? ? ? ? ? ? ? 1.459 ? covale15 covale both ? J NAG . O4 ? ? ? 1_555 K NAG . C1 ? ? A NAG 506 A NAG 507 1_555 ? ? ? ? ? ? ? 1.422 ? covale16 covale both ? K NAG . O4 ? ? ? 1_555 L BMA . C1 ? ? A NAG 507 A BMA 508 1_555 ? ? ? ? ? ? ? 1.441 ? covale17 covale one ? L BMA . O3 ? ? ? 1_555 M MAN . C1 ? ? A BMA 508 A MAN 509 1_555 ? ? ? ? ? ? ? 1.437 ? covale18 covale one ? L BMA . O6 ? ? ? 1_555 O MAN . C1 ? ? A BMA 508 A MAN 511 1_555 ? ? ? ? ? ? ? 1.404 ? covale19 covale one ? M MAN . O2 ? ? ? 1_555 N MAN . C1 ? ? A MAN 509 A MAN 510 1_555 ? ? ? ? ? ? ? 1.431 ? covale20 covale one ? O MAN . O3 ? ? ? 1_555 P MAN . C1 ? ? A MAN 511 A MAN 512 1_555 ? ? ? ? ? ? ? 1.464 ? covale21 covale both ? R NAG . O4 ? ? ? 1_555 S NAG . C1 ? ? B NAG 502 B NAG 503 1_555 ? ? ? ? ? ? ? 1.436 ? covale22 covale both ? U NAG . O4 ? ? ? 1_555 V NAG . C1 ? ? B NAG 505 B NAG 506 1_555 ? ? ? ? ? ? ? 1.488 ? covale23 covale both ? V NAG . O4 ? ? ? 1_555 W BMA . C1 ? ? B NAG 506 B BMA 507 1_555 ? ? ? ? ? ? ? 1.445 ? covale24 covale one ? W BMA . O3 ? ? ? 1_555 X MAN . C1 ? ? B BMA 507 B MAN 508 1_555 ? ? ? ? ? ? ? 1.458 ? covale25 covale one ? W BMA . O6 ? ? ? 1_555 Z MAN . C1 ? ? B BMA 507 B MAN 510 1_555 ? ? ? ? ? ? ? 1.433 ? covale26 covale one ? X MAN . O2 ? ? ? 1_555 Y MAN . C1 ? ? B MAN 508 B MAN 509 1_555 ? ? ? ? ? ? ? 1.451 ? covale27 covale one ? Z MAN . O3 ? ? ? 1_555 AA MAN . C1 ? ? B MAN 510 B MAN 511 1_555 ? ? ? ? ? ? ? 1.488 ? covale28 covale both ? CA NAG . O4 ? ? ? 1_555 DA NAG . C1 ? ? C NAG 502 C NAG 503 1_555 ? ? ? ? ? ? ? 1.454 ? covale29 covale both ? FA NAG . O4 ? ? ? 1_555 GA NAG . C1 ? ? C NAG 505 C NAG 506 1_555 ? ? ? ? ? ? ? 1.423 ? covale30 covale both ? GA NAG . O4 ? ? ? 1_555 HA BMA . C1 ? ? C NAG 506 C BMA 507 1_555 ? ? ? ? ? ? ? 1.425 ? covale31 covale one ? HA BMA . O3 ? ? ? 1_555 IA MAN . C1 ? ? C BMA 507 C MAN 508 1_555 ? ? ? ? ? ? ? 1.452 ? covale32 covale one ? HA BMA . O6 ? ? ? 1_555 KA MAN . C1 ? ? C BMA 507 C MAN 510 1_555 ? ? ? ? ? ? ? 1.416 ? covale33 covale one ? IA MAN . O2 ? ? ? 1_555 JA MAN . C1 ? ? C MAN 508 C MAN 509 1_555 ? ? ? ? ? ? ? 1.434 ? covale34 covale one ? KA MAN . O3 ? ? ? 1_555 LA MAN . C1 ? ? C MAN 510 C MAN 511 1_555 ? ? ? ? ? ? ? 1.475 ? metalc18 metalc ? ? MA CA . CA ? ? ? 1_555 AB HOH . O ? ? D CA 501 D HOH 620 1_555 ? ? ? ? ? ? ? 2.566 ? covale35 covale both ? NA NAG . O4 ? ? ? 1_555 OA NAG . C1 ? ? D NAG 502 D NAG 503 1_555 ? ? ? ? ? ? ? 1.463 ? covale36 covale both ? QA NAG . O4 ? ? ? 1_555 RA NAG . C1 ? ? D NAG 505 D NAG 506 1_555 ? ? ? ? ? ? ? 1.397 ? covale37 covale both ? RA NAG . O4 ? ? ? 1_555 SA BMA . C1 ? ? D NAG 506 D BMA 507 1_555 ? ? ? ? ? ? ? 1.415 ? covale38 covale one ? SA BMA . O3 ? ? ? 1_555 TA MAN . C1 ? ? D BMA 507 D MAN 508 1_555 ? ? ? ? ? ? ? 1.421 ? covale39 covale one ? SA BMA . O6 ? ? ? 1_555 VA MAN . C1 ? ? D BMA 507 D MAN 510 1_555 ? ? ? ? ? ? ? 1.411 ? covale40 covale one ? TA MAN . O2 ? ? ? 1_555 UA MAN . C1 ? ? D MAN 508 D MAN 509 1_555 ? ? ? ? ? ? ? 1.426 ? covale41 covale one ? VA MAN . O3 ? ? ? 1_555 WA MAN . C1 ? ? D MAN 510 D MAN 511 1_555 ? ? ? ? ? ? ? 1.471 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 TYR 217 A . ? TYR 284 A PRO 218 A ? PRO 285 A 1 1.14 2 THR 258 A . ? THR 325 A PRO 259 A ? PRO 326 A 1 -0.12 3 ASN 279 A . ? ASN 346 A PRO 280 A ? PRO 347 A 1 -1.26 4 ARG 363 A . ? ARG 430 A PRO 364 A ? PRO 431 A 1 7.30 5 TYR 217 B . ? TYR 284 B PRO 218 B ? PRO 285 B 1 3.33 6 THR 258 B . ? THR 325 B PRO 259 B ? PRO 326 B 1 3.15 7 ASN 279 B . ? ASN 346 B PRO 280 B ? PRO 347 B 1 -2.61 8 ARG 363 B . ? ARG 430 B PRO 364 B ? PRO 431 B 1 3.27 9 TYR 217 C . ? TYR 284 C PRO 218 C ? PRO 285 C 1 0.23 10 THR 258 C . ? THR 325 C PRO 259 C ? PRO 326 C 1 1.63 11 ASN 279 C . ? ASN 346 C PRO 280 C ? PRO 347 C 1 -1.87 12 ARG 363 C . ? ARG 430 C PRO 364 C ? PRO 431 C 1 0.84 13 TYR 217 D . ? TYR 284 D PRO 218 D ? PRO 285 D 1 3.99 14 THR 258 D . ? THR 325 D PRO 259 D ? PRO 326 D 1 2.18 15 ASN 279 D . ? ASN 346 D PRO 280 D ? PRO 347 D 1 -2.89 16 ARG 363 D . ? ARG 430 D PRO 364 D ? PRO 431 D 1 5.71 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details AA1 ? 4 ? AA2 ? 4 ? AA3 ? 4 ? AA4 ? 4 ? AA5 ? 4 ? AA6 ? 4 ? AA7 ? 4 ? AA8 ? 4 ? AA9 ? 4 ? AB1 ? 4 ? AB2 ? 4 ? AB3 ? 4 ? AB4 ? 4 ? AB5 ? 4 ? AB6 ? 4 ? AB7 ? 3 ? AB8 ? 4 ? AB9 ? 4 ? AC1 ? 4 ? AC2 ? 4 ? AC3 ? 4 ? AC4 ? 4 ? AC5 ? 3 ? AC6 ? 4 ? AC7 ? 4 ? AC8 ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense AA1 1 2 ? anti-parallel AA1 2 3 ? anti-parallel AA1 3 4 ? anti-parallel AA2 1 2 ? anti-parallel AA2 2 3 ? anti-parallel AA2 3 4 ? anti-parallel AA3 1 2 ? anti-parallel AA3 2 3 ? anti-parallel AA3 3 4 ? anti-parallel AA4 1 2 ? anti-parallel AA4 2 3 ? anti-parallel AA4 3 4 ? anti-parallel AA5 1 2 ? anti-parallel AA5 2 3 ? anti-parallel AA5 3 4 ? anti-parallel AA6 1 2 ? anti-parallel AA6 2 3 ? anti-parallel AA6 3 4 ? anti-parallel AA7 1 2 ? anti-parallel AA7 2 3 ? anti-parallel AA7 3 4 ? anti-parallel AA8 1 2 ? anti-parallel AA8 2 3 ? anti-parallel AA8 3 4 ? anti-parallel AA9 1 2 ? anti-parallel AA9 2 3 ? anti-parallel AA9 3 4 ? anti-parallel AB1 1 2 ? anti-parallel AB1 2 3 ? anti-parallel AB1 3 4 ? anti-parallel AB2 1 2 ? anti-parallel AB2 2 3 ? anti-parallel AB2 3 4 ? anti-parallel AB3 1 2 ? anti-parallel AB3 2 3 ? anti-parallel AB3 3 4 ? anti-parallel AB4 1 2 ? anti-parallel AB4 2 3 ? anti-parallel AB4 3 4 ? anti-parallel AB5 1 2 ? anti-parallel AB5 2 3 ? anti-parallel AB5 3 4 ? anti-parallel AB6 1 2 ? anti-parallel AB6 2 3 ? anti-parallel AB6 3 4 ? anti-parallel AB7 1 2 ? anti-parallel AB7 2 3 ? anti-parallel AB8 1 2 ? anti-parallel AB8 2 3 ? anti-parallel AB8 3 4 ? anti-parallel AB9 1 2 ? anti-parallel AB9 2 3 ? anti-parallel AB9 3 4 ? anti-parallel AC1 1 2 ? anti-parallel AC1 2 3 ? anti-parallel AC1 3 4 ? anti-parallel AC2 1 2 ? anti-parallel AC2 2 3 ? anti-parallel AC2 3 4 ? anti-parallel AC3 1 2 ? anti-parallel AC3 2 3 ? anti-parallel AC3 3 4 ? anti-parallel AC4 1 2 ? anti-parallel AC4 2 3 ? anti-parallel AC4 3 4 ? anti-parallel AC5 1 2 ? anti-parallel AC5 2 3 ? anti-parallel AC6 1 2 ? anti-parallel AC6 2 3 ? anti-parallel AC6 3 4 ? anti-parallel AC7 1 2 ? anti-parallel AC7 2 3 ? anti-parallel AC7 3 4 ? anti-parallel AC8 1 2 ? anti-parallel AC8 2 3 ? anti-parallel AC8 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id AA1 1 GLY A 29 ? LYS A 35 ? GLY A 96 LYS A 102 AA1 2 THR A 372 ? THR A 382 ? THR A 439 THR A 449 AA1 3 ILE A 351 ? GLY A 362 ? ILE A 418 GLY A 429 AA1 4 SER A 340 ? GLU A 346 ? SER A 407 GLU A 413 AA2 1 TRP A 48 ? CYS A 57 ? TRP A 115 CYS A 124 AA2 2 CYS A 62 ? THR A 72 ? CYS A 129 THR A 139 AA2 3 THR A 90 ? GLU A 95 ? THR A 157 GLU A 162 AA2 4 LYS A 105 ? ILE A 109 ? LYS A 172 ILE A 176 AA3 1 SER A 112 ? HIS A 117 ? SER A 179 HIS A 184 AA3 2 TRP A 122 ? ASP A 130 ? TRP A 189 ASP A 197 AA3 3 ASN A 133 ? TYR A 140 ? ASN A 200 TYR A 207 AA3 4 MET A 143 ? GLY A 149 ? MET A 210 GLY A 216 AA4 1 VAL A 164 ? ILE A 166 ? VAL A 231 ILE A 233 AA4 2 THR A 169 ? GLY A 177 ? THR A 236 GLY A 244 AA4 3 ALA A 183 ? LYS A 191 ? ALA A 250 LYS A 258 AA4 4 LYS A 194 ? PRO A 200 ? LYS A 261 PRO A 267 AA5 1 GLU A 209 ? ARG A 216 ? GLU A 276 ARG A 283 AA5 2 ASP A 219 ? ARG A 225 ? ASP A 286 ARG A 292 AA5 3 PRO A 234 ? ILE A 238 ? PRO A 301 ILE A 305 AA5 4 ILE A 245 ? TYR A 249 ? ILE A 312 TYR A 316 AA6 1 ALA A 286 ? ASN A 289 ? ALA A 353 ASN A 356 AA6 2 ASP A 292 ? ARG A 297 ? ASP A 359 ARG A 364 AA6 3 SER A 305 ? VAL A 312 ? SER A 372 VAL A 379 AA6 4 GLN A 324 ? TRP A 336 ? GLN A 391 TRP A 403 AA7 1 GLY B 29 ? LYS B 35 ? GLY B 96 LYS B 102 AA7 2 THR B 372 ? THR B 382 ? THR B 439 THR B 449 AA7 3 ILE B 351 ? GLY B 362 ? ILE B 418 GLY B 429 AA7 4 SER B 340 ? GLU B 346 ? SER B 407 GLU B 413 AA8 1 TRP B 48 ? CYS B 57 ? TRP B 115 CYS B 124 AA8 2 CYS B 62 ? THR B 72 ? CYS B 129 THR B 139 AA8 3 THR B 90 ? GLU B 95 ? THR B 157 GLU B 162 AA8 4 LYS B 105 ? ILE B 109 ? LYS B 172 ILE B 176 AA9 1 SER B 112 ? HIS B 117 ? SER B 179 HIS B 184 AA9 2 TRP B 122 ? ASP B 130 ? TRP B 189 ASP B 197 AA9 3 ASN B 133 ? TYR B 140 ? ASN B 200 TYR B 207 AA9 4 MET B 143 ? GLY B 149 ? MET B 210 GLY B 216 AB1 1 VAL B 164 ? ILE B 166 ? VAL B 231 ILE B 233 AB1 2 THR B 169 ? GLY B 177 ? THR B 236 GLY B 244 AB1 3 ALA B 183 ? LYS B 191 ? ALA B 250 LYS B 258 AB1 4 LYS B 194 ? PRO B 200 ? LYS B 261 PRO B 267 AB2 1 GLU B 209 ? ARG B 216 ? GLU B 276 ARG B 283 AB2 2 ASP B 219 ? ARG B 225 ? ASP B 286 ARG B 292 AB2 3 PRO B 234 ? ILE B 238 ? PRO B 301 ILE B 305 AB2 4 ILE B 245 ? TYR B 249 ? ILE B 312 TYR B 316 AB3 1 ALA B 286 ? ASN B 289 ? ALA B 353 ASN B 356 AB3 2 ASP B 292 ? ARG B 297 ? ASP B 359 ARG B 364 AB3 3 SER B 305 ? VAL B 312 ? SER B 372 VAL B 379 AB3 4 GLN B 324 ? TRP B 336 ? GLN B 391 TRP B 403 AB4 1 GLY C 29 ? LYS C 35 ? GLY C 96 LYS C 102 AB4 2 THR C 372 ? THR C 382 ? THR C 439 THR C 449 AB4 3 ILE C 351 ? GLY C 362 ? ILE C 418 GLY C 429 AB4 4 SER C 340 ? GLU C 346 ? SER C 407 GLU C 413 AB5 1 TRP C 48 ? CYS C 57 ? TRP C 115 CYS C 124 AB5 2 CYS C 62 ? THR C 72 ? CYS C 129 THR C 139 AB5 3 THR C 90 ? GLU C 95 ? THR C 157 GLU C 162 AB5 4 LYS C 105 ? ILE C 109 ? LYS C 172 ILE C 176 AB6 1 SER C 112 ? HIS C 117 ? SER C 179 HIS C 184 AB6 2 TRP C 122 ? ASP C 130 ? TRP C 189 ASP C 197 AB6 3 ASN C 133 ? TYR C 140 ? ASN C 200 TYR C 207 AB6 4 MET C 143 ? GLY C 149 ? MET C 210 GLY C 216 AB7 1 ILE C 155 ? ARG C 157 ? ILE C 222 ARG C 224 AB7 2 THR C 169 ? GLY C 177 ? THR C 236 GLY C 244 AB7 3 VAL C 164 ? ILE C 166 ? VAL C 231 ILE C 233 AB8 1 ILE C 155 ? ARG C 157 ? ILE C 222 ARG C 224 AB8 2 THR C 169 ? GLY C 177 ? THR C 236 GLY C 244 AB8 3 ALA C 183 ? LYS C 191 ? ALA C 250 LYS C 258 AB8 4 LYS C 194 ? PRO C 200 ? LYS C 261 PRO C 267 AB9 1 GLU C 209 ? ARG C 216 ? GLU C 276 ARG C 283 AB9 2 ASP C 219 ? ARG C 225 ? ASP C 286 ARG C 292 AB9 3 PRO C 234 ? ILE C 238 ? PRO C 301 ILE C 305 AB9 4 ILE C 245 ? TYR C 249 ? ILE C 312 TYR C 316 AC1 1 ALA C 286 ? ASN C 289 ? ALA C 353 ASN C 356 AC1 2 ASP C 292 ? ARG C 297 ? ASP C 359 ARG C 364 AC1 3 SER C 305 ? VAL C 312 ? SER C 372 VAL C 379 AC1 4 GLN C 324 ? TRP C 336 ? GLN C 391 TRP C 403 AC2 1 GLY D 29 ? LYS D 35 ? GLY D 96 LYS D 102 AC2 2 SER D 373 ? THR D 382 ? SER D 440 THR D 449 AC2 3 ILE D 351 ? ARG D 361 ? ILE D 418 ARG D 428 AC2 4 SER D 340 ? GLU D 346 ? SER D 407 GLU D 413 AC3 1 TRP D 48 ? CYS D 57 ? TRP D 115 CYS D 124 AC3 2 CYS D 62 ? THR D 72 ? CYS D 129 THR D 139 AC3 3 THR D 90 ? GLU D 95 ? THR D 157 GLU D 162 AC3 4 LYS D 105 ? ILE D 109 ? LYS D 172 ILE D 176 AC4 1 SER D 112 ? HIS D 117 ? SER D 179 HIS D 184 AC4 2 TRP D 122 ? THR D 128 ? TRP D 189 THR D 195 AC4 3 THR D 135 ? TYR D 140 ? THR D 202 TYR D 207 AC4 4 MET D 143 ? GLY D 149 ? MET D 210 GLY D 216 AC5 1 ILE D 155 ? ARG D 157 ? ILE D 222 ARG D 224 AC5 2 THR D 169 ? SER D 178 ? THR D 236 SER D 245 AC5 3 VAL D 164 ? ILE D 166 ? VAL D 231 ILE D 233 AC6 1 ILE D 155 ? ARG D 157 ? ILE D 222 ARG D 224 AC6 2 THR D 169 ? SER D 178 ? THR D 236 SER D 245 AC6 3 ARG D 182 ? LYS D 191 ? ARG D 249 LYS D 258 AC6 4 LYS D 194 ? PRO D 200 ? LYS D 261 PRO D 267 AC7 1 ILE D 208 ? ARG D 216 ? ILE D 275 ARG D 283 AC7 2 ASP D 219 ? ASP D 226 ? ASP D 286 ASP D 293 AC7 3 PRO D 234 ? ILE D 238 ? PRO D 301 ILE D 305 AC7 4 ILE D 245 ? TYR D 249 ? ILE D 312 TYR D 316 AC8 1 ALA D 286 ? ASN D 289 ? ALA D 353 ASN D 356 AC8 2 ASP D 292 ? ARG D 297 ? ASP D 359 ARG D 364 AC8 3 SER D 305 ? VAL D 312 ? SER D 372 VAL D 379 AC8 4 GLN D 324 ? TRP D 336 ? GLN D 391 TRP D 403 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id AA1 1 2 N ALA A 31 ? N ALA A 98 O CYS A 380 ? O CYS A 447 AA1 2 3 O SER A 373 ? O SER A 440 N ARG A 361 ? N ARG A 428 AA1 3 4 O CYS A 354 ? O CYS A 421 N PHE A 343 ? N PHE A 410 AA2 1 2 N TYR A 54 ? N TYR A 121 O PHE A 65 ? O PHE A 132 AA2 2 3 N ALA A 66 ? N ALA A 133 O LEU A 92 ? O LEU A 159 AA2 3 4 N LEU A 91 ? N LEU A 158 O VAL A 107 ? O VAL A 174 AA3 1 2 N CYS A 116 ? N CYS A 183 O LEU A 123 ? O LEU A 190 AA3 2 3 N CYS A 126 ? N CYS A 193 O SER A 137 ? O SER A 204 AA3 3 4 N PHE A 138 ? N PHE A 205 O ALA A 145 ? O ALA A 212 AA4 1 2 N ILE A 166 ? N ILE A 233 O THR A 169 ? O THR A 236 AA4 2 3 N CYS A 170 ? N CYS A 237 O ILE A 190 ? O ILE A 257 AA4 3 4 N PHE A 189 ? N PHE A 256 O VAL A 196 ? O VAL A 263 AA5 1 2 N ARG A 216 ? N ARG A 283 O ASP A 219 ? O ASP A 286 AA5 2 3 N VAL A 220 ? N VAL A 287 O ILE A 238 ? O ILE A 305 AA5 3 4 N ASP A 237 ? N ASP A 304 O ASP A 246 ? O ASP A 313 AA6 1 2 N PHE A 287 ? N PHE A 354 O TRP A 294 ? O TRP A 361 AA6 2 3 N VAL A 293 ? N VAL A 360 O VAL A 312 ? O VAL A 379 AA6 3 4 N ARG A 311 ? N ARG A 378 O VAL A 325 ? O VAL A 392 AA7 1 2 N ALA B 31 ? N ALA B 98 O CYS B 380 ? O CYS B 447 AA7 2 3 O SER B 373 ? O SER B 440 N ARG B 361 ? N ARG B 428 AA7 3 4 O CYS B 354 ? O CYS B 421 N PHE B 343 ? N PHE B 410 AA8 1 2 N TYR B 54 ? N TYR B 121 O PHE B 65 ? O PHE B 132 AA8 2 3 N ALA B 66 ? N ALA B 133 O LEU B 92 ? O LEU B 159 AA8 3 4 N LEU B 91 ? N LEU B 158 O VAL B 107 ? O VAL B 174 AA9 1 2 N CYS B 116 ? N CYS B 183 O LEU B 123 ? O LEU B 190 AA9 2 3 N CYS B 126 ? N CYS B 193 O SER B 137 ? O SER B 204 AA9 3 4 N PHE B 138 ? N PHE B 205 O ALA B 145 ? O ALA B 212 AB1 1 2 N VAL B 164 ? N VAL B 231 O THR B 171 ? O THR B 238 AB1 2 3 N CYS B 170 ? N CYS B 237 O ILE B 190 ? O ILE B 257 AB1 3 4 N ILE B 187 ? N ILE B 254 O SER B 199 ? O SER B 266 AB2 1 2 N ARG B 216 ? N ARG B 283 O ASP B 219 ? O ASP B 286 AB2 2 3 N VAL B 220 ? N VAL B 287 O ILE B 238 ? O ILE B 305 AB2 3 4 N ASP B 237 ? N ASP B 304 O ASP B 246 ? O ASP B 313 AB3 1 2 N PHE B 287 ? N PHE B 354 O TRP B 294 ? O TRP B 361 AB3 2 3 N VAL B 293 ? N VAL B 360 O VAL B 312 ? O VAL B 379 AB3 3 4 N TYR B 307 ? N TYR B 374 O ILE B 330 ? O ILE B 397 AB4 1 2 N SER C 34 ? N SER C 101 O VAL C 378 ? O VAL C 445 AB4 2 3 O SER C 373 ? O SER C 440 N ARG C 361 ? N ARG C 428 AB4 3 4 O CYS C 354 ? O CYS C 421 N PHE C 343 ? N PHE C 410 AB5 1 2 N TYR C 54 ? N TYR C 121 O PHE C 65 ? O PHE C 132 AB5 2 3 N ALA C 66 ? N ALA C 133 O LEU C 92 ? O LEU C 159 AB5 3 4 N LEU C 91 ? N LEU C 158 O VAL C 107 ? O VAL C 174 AB6 1 2 N CYS C 116 ? N CYS C 183 O LEU C 123 ? O LEU C 190 AB6 2 3 N CYS C 126 ? N CYS C 193 O SER C 137 ? O SER C 204 AB6 3 4 N PHE C 138 ? N PHE C 205 O ALA C 145 ? O ALA C 212 AB7 1 2 N ARG C 157 ? N ARG C 224 O THR C 175 ? O THR C 242 AB7 2 3 O THR C 171 ? O THR C 238 N VAL C 164 ? N VAL C 231 AB8 1 2 N ARG C 157 ? N ARG C 224 O THR C 175 ? O THR C 242 AB8 2 3 N CYS C 170 ? N CYS C 237 O ILE C 190 ? O ILE C 257 AB8 3 4 N ILE C 187 ? N ILE C 254 O SER C 199 ? O SER C 266 AB9 1 2 N SER C 212 ? N SER C 279 O VAL C 223 ? O VAL C 290 AB9 2 3 N VAL C 220 ? N VAL C 287 O ILE C 238 ? O ILE C 305 AB9 3 4 N ASP C 237 ? N ASP C 304 O ASP C 246 ? O ASP C 313 AC1 1 2 N PHE C 287 ? N PHE C 354 O TRP C 294 ? O TRP C 361 AC1 2 3 N VAL C 293 ? N VAL C 360 O VAL C 312 ? O VAL C 379 AC1 3 4 N TYR C 307 ? N TYR C 374 O ILE C 330 ? O ILE C 397 AC2 1 2 N ALA D 31 ? N ALA D 98 O CYS D 380 ? O CYS D 447 AC2 2 3 O SER D 373 ? O SER D 440 N ARG D 361 ? N ARG D 428 AC2 3 4 O CYS D 354 ? O CYS D 421 N PHE D 343 ? N PHE D 410 AC3 1 2 N TYR D 54 ? N TYR D 121 O PHE D 65 ? O PHE D 132 AC3 2 3 N ALA D 66 ? N ALA D 133 O LEU D 92 ? O LEU D 159 AC3 3 4 N LEU D 91 ? N LEU D 158 O VAL D 107 ? O VAL D 174 AC4 1 2 N CYS D 116 ? N CYS D 183 O LEU D 123 ? O LEU D 190 AC4 2 3 N CYS D 126 ? N CYS D 193 O SER D 137 ? O SER D 204 AC4 3 4 N PHE D 138 ? N PHE D 205 O ALA D 145 ? O ALA D 212 AC5 1 2 N ILE D 155 ? N ILE D 222 O GLY D 177 ? O GLY D 244 AC5 2 3 O THR D 171 ? O THR D 238 N VAL D 164 ? N VAL D 231 AC6 1 2 N ILE D 155 ? N ILE D 222 O GLY D 177 ? O GLY D 244 AC6 2 3 N CYS D 170 ? N CYS D 237 O ILE D 190 ? O ILE D 257 AC6 3 4 N ILE D 187 ? N ILE D 254 O SER D 199 ? O SER D 266 AC7 1 2 N ARG D 216 ? N ARG D 283 O ASP D 219 ? O ASP D 286 AC7 2 3 N VAL D 220 ? N VAL D 287 O ILE D 238 ? O ILE D 305 AC7 3 4 N ASP D 237 ? N ASP D 304 O ASP D 246 ? O ASP D 313 AC8 1 2 N PHE D 287 ? N PHE D 354 O TRP D 294 ? O TRP D 361 AC8 2 3 N VAL D 293 ? N VAL D 360 O VAL D 312 ? O VAL D 379 AC8 3 4 N GLY D 306 ? N GLY D 373 O ASN D 335 ? O ASN D 402 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software A CA 501 ? 6 'binding site for residue CA A 501' AC2 Software B CA 501 ? 5 'binding site for residue CA B 501' AC3 Software C CA 501 ? 4 'binding site for residue CA C 501' AC4 Software D CA 501 ? 5 'binding site for residue CA D 501' AC5 Software A ASN 146 ? 3 'binding site for Poly-Saccharide residues NAG A 502 through NAG A 503 bound to ASN A 146' AC6 Software A ASN 200 ? 13 'binding site for Poly-Saccharide residues NAG A 506 through MAN A 512 bound to ASN A 200' AC7 Software A ASN 234 ? 2 'binding site for Poly-Saccharide residues NAG A 504 through NAG A 505 bound to ASN A 234' AC8 Software B ASN 146 ? 3 'binding site for Poly-Saccharide residues NAG B 502 through NAG B 503 bound to ASN B 146' AC9 Software B ASN 200 ? 10 'binding site for Poly-Saccharide residues NAG B 505 through MAN B 511 bound to ASN B 200' AD1 Software B NAG 504 ? 1 'binding site for Mono-Saccharide NAG B 504 bound to ASN B 234' AD2 Software C ASN 146 ? 3 'binding site for Poly-Saccharide residues NAG C 502 through NAG C 503 bound to ASN C 146' AD3 Software C ASN 200 ? 16 'binding site for Poly-Saccharide residues NAG C 505 through MAN C 511 bound to ASN C 200' AD4 Software C NAG 504 ? 3 'binding site for Mono-Saccharide NAG C 504 bound to ASN C 234' AD5 Software D ASN 146 ? 3 'binding site for Poly-Saccharide residues NAG D 502 through NAG D 503 bound to ASN D 146' AD6 Software D ASN 200 ? 15 'binding site for Poly-Saccharide residues NAG D 505 through MAN D 511 bound to ASN D 200' AD7 Software D NAG 504 ? 5 'binding site for Mono-Saccharide NAG D 504 bound to ASN D 234' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 6 ASP A 226 ? ASP A 293 . ? 1_555 ? 2 AC1 6 GLY A 230 ? GLY A 297 . ? 1_555 ? 3 AC1 6 ASP A 257 ? ASP A 324 . ? 1_555 ? 4 AC1 6 GLY A 278 ? GLY A 345 . ? 1_555 ? 5 AC1 6 GLY A 281 ? GLY A 348 . ? 1_555 ? 6 AC1 6 HOH XA . ? HOH A 645 . ? 1_555 ? 7 AC2 5 ASP B 226 ? ASP B 293 . ? 1_555 ? 8 AC2 5 GLY B 230 ? GLY B 297 . ? 1_555 ? 9 AC2 5 ASP B 257 ? ASP B 324 . ? 1_555 ? 10 AC2 5 GLY B 278 ? GLY B 345 . ? 1_555 ? 11 AC2 5 GLY B 281 ? GLY B 348 . ? 1_555 ? 12 AC3 4 ASP C 226 ? ASP C 293 . ? 1_555 ? 13 AC3 4 GLY C 230 ? GLY C 297 . ? 1_555 ? 14 AC3 4 ASP C 257 ? ASP C 324 . ? 1_555 ? 15 AC3 4 GLY C 278 ? GLY C 345 . ? 1_555 ? 16 AC4 5 ASP D 226 ? ASP D 293 . ? 1_555 ? 17 AC4 5 GLY D 230 ? GLY D 297 . ? 1_555 ? 18 AC4 5 ASP D 257 ? ASP D 324 . ? 1_555 ? 19 AC4 5 GLY D 278 ? GLY D 345 . ? 1_555 ? 20 AC4 5 HOH AB . ? HOH D 620 . ? 1_555 ? 21 AC5 3 ASN A 79 ? ASN A 146 . ? 1_555 ? 22 AC5 3 TRP A 370 ? TRP A 437 . ? 1_555 ? 23 AC5 3 ILE A 402 ? ILE A 469 . ? 1_555 ? 24 AC6 13 ASN A 133 ? ASN A 200 . ? 1_555 ? 25 AC6 13 HOH XA . ? HOH A 604 . ? 1_555 ? 26 AC6 13 HOH XA . ? HOH A 615 . ? 1_555 ? 27 AC6 13 HOH XA . ? HOH A 653 . ? 1_555 ? 28 AC6 13 LEU C 201 ? LEU C 268 . ? 3_544 ? 29 AC6 13 GLN D 324 ? GLN D 391 . ? 1_555 ? 30 AC6 13 VAL D 325 ? VAL D 392 . ? 1_555 ? 31 AC6 13 ASN D 326 ? ASN D 393 . ? 1_555 ? 32 AC6 13 ARG D 327 ? ARG D 394 . ? 1_555 ? 33 AC6 13 TYR D 386 ? TYR D 453 . ? 1_555 ? 34 AC6 13 GLY D 387 ? GLY D 454 . ? 1_555 ? 35 AC6 13 THR D 388 ? THR D 455 . ? 1_555 ? 36 AC6 13 HOH AB . ? HOH D 619 . ? 1_555 ? 37 AC7 2 ASN A 167 ? ASN A 234 . ? 1_555 ? 38 AC7 2 TYR A 217 ? TYR A 284 . ? 1_555 ? 39 AC8 3 ASN B 79 ? ASN B 146 . ? 1_555 ? 40 AC8 3 TRP B 370 ? TRP B 437 . ? 1_555 ? 41 AC8 3 ILE B 402 ? ILE B 469 . ? 1_555 ? 42 AC9 10 ASN B 133 ? ASN B 200 . ? 1_555 ? 43 AC9 10 HOH YA . ? HOH B 601 . ? 1_555 ? 44 AC9 10 HOH YA . ? HOH B 604 . ? 1_555 ? 45 AC9 10 HOH YA . ? HOH B 674 . ? 1_555 ? 46 AC9 10 GLN C 324 ? GLN C 391 . ? 1_555 ? 47 AC9 10 ASN C 326 ? ASN C 393 . ? 1_555 ? 48 AC9 10 ARG C 327 ? ARG C 394 . ? 1_555 ? 49 AC9 10 TYR C 386 ? TYR C 453 . ? 1_555 ? 50 AC9 10 GLY C 387 ? GLY C 454 . ? 1_555 ? 51 AC9 10 THR C 388 ? THR C 455 . ? 1_555 ? 52 AD1 1 ASN B 167 ? ASN B 234 . ? 1_555 ? 53 AD2 3 ASN C 79 ? ASN C 146 . ? 1_555 ? 54 AD2 3 TRP C 370 ? TRP C 437 . ? 1_555 ? 55 AD2 3 ILE C 402 ? ILE C 469 . ? 1_555 ? 56 AD3 16 GLN A 324 ? GLN A 391 . ? 1_555 ? 57 AD3 16 VAL A 325 ? VAL A 392 . ? 1_555 ? 58 AD3 16 ASN A 326 ? ASN A 393 . ? 1_555 ? 59 AD3 16 ARG A 327 ? ARG A 394 . ? 1_555 ? 60 AD3 16 TYR A 386 ? TYR A 453 . ? 1_555 ? 61 AD3 16 GLY A 387 ? GLY A 454 . ? 1_555 ? 62 AD3 16 THR A 388 ? THR A 455 . ? 1_555 ? 63 AD3 16 HOH XA . ? HOH A 666 . ? 1_555 ? 64 AD3 16 ASN C 133 ? ASN C 200 . ? 1_555 ? 65 AD3 16 HOH ZA . ? HOH C 626 . ? 1_555 ? 66 AD3 16 HOH ZA . ? HOH C 629 . ? 1_555 ? 67 AD3 16 HOH ZA . ? HOH C 634 . ? 1_555 ? 68 AD3 16 PRO D 23 ? PRO D 90 . ? 3_554 ? 69 AD3 16 PRO D 218 ? PRO D 285 . ? 3_554 ? 70 AD3 16 SER D 349 ? SER D 416 . ? 3_554 ? 71 AD3 16 NAG PA . ? NAG D 504 . ? 3_554 ? 72 AD4 3 ASN C 167 ? ASN C 234 . ? 1_555 ? 73 AD4 3 HOH ZA . ? HOH C 654 . ? 1_555 ? 74 AD4 3 MAN UA . ? MAN D 509 . ? 4_554 ? 75 AD5 3 ASN D 79 ? ASN D 146 . ? 1_555 ? 76 AD5 3 TRP D 370 ? TRP D 437 . ? 1_555 ? 77 AD5 3 ILE D 402 ? ILE D 469 . ? 1_555 ? 78 AD6 15 GLN B 324 ? GLN B 391 . ? 1_555 ? 79 AD6 15 VAL B 325 ? VAL B 392 . ? 1_555 ? 80 AD6 15 ASN B 326 ? ASN B 393 . ? 1_555 ? 81 AD6 15 ARG B 327 ? ARG B 394 . ? 1_555 ? 82 AD6 15 TYR B 386 ? TYR B 453 . ? 1_555 ? 83 AD6 15 GLY B 387 ? GLY B 454 . ? 1_555 ? 84 AD6 15 THR B 388 ? THR B 455 . ? 1_555 ? 85 AD6 15 PRO C 23 ? PRO C 90 . ? 4_454 ? 86 AD6 15 TYR C 217 ? TYR C 284 . ? 4_454 ? 87 AD6 15 SER C 349 ? SER C 416 . ? 4_454 ? 88 AD6 15 NAG EA . ? NAG C 504 . ? 4_454 ? 89 AD6 15 ASN D 133 ? ASN D 200 . ? 1_555 ? 90 AD6 15 GLN D 153 ? GLN D 220 . ? 1_555 ? 91 AD6 15 HOH AB . ? HOH D 627 . ? 1_555 ? 92 AD6 15 HOH AB . ? HOH D 657 . ? 1_555 ? 93 AD7 5 MAN JA . ? MAN C 509 . ? 3_544 ? 94 AD7 5 ASN D 19 ? ASN D 86 . ? 1_555 ? 95 AD7 5 ASN D 167 ? ASN D 234 . ? 1_555 ? 96 AD7 5 TYR D 217 ? TYR D 284 . ? 1_555 ? 97 AD7 5 HOH AB . ? HOH D 601 . ? 1_555 ? # _atom_sites.entry_id 5HUK _atom_sites.fract_transf_matrix[1][1] 0.008604 _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] 0.008144 _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] 0.005655 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CA N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ALA A 1 15 ? 8.463 19.543 -55.065 1.00 89.73 ? 82 ALA A N 1 ATOM 2 C CA . ALA A 1 15 ? 8.112 20.323 -53.843 1.00 87.27 ? 82 ALA A CA 1 ATOM 3 C C . ALA A 1 15 ? 7.994 19.400 -52.617 1.00 89.68 ? 82 ALA A C 1 ATOM 4 O O . ALA A 1 15 ? 7.490 18.268 -52.690 1.00 87.33 ? 82 ALA A O 1 ATOM 5 C CB . ALA A 1 15 ? 6.835 21.133 -54.043 1.00 82.36 ? 82 ALA A CB 1 ATOM 6 N N . GLU A 1 16 ? 8.491 19.913 -51.497 1.00 89.65 ? 83 GLU A N 1 ATOM 7 C CA . GLU A 1 16 ? 8.538 19.211 -50.222 1.00 81.81 ? 83 GLU A CA 1 ATOM 8 C C . GLU A 1 16 ? 7.553 19.957 -49.276 1.00 70.78 ? 83 GLU A C 1 ATOM 9 O O . GLU A 1 16 ? 7.089 21.056 -49.588 1.00 62.97 ? 83 GLU A O 1 ATOM 10 C CB . GLU A 1 16 ? 10.001 19.202 -49.696 1.00 87.97 ? 83 GLU A CB 1 ATOM 11 C CG . GLU A 1 16 ? 10.476 17.911 -48.998 1.00 103.20 ? 83 GLU A CG 1 ATOM 12 C CD . GLU A 1 16 ? 9.619 17.462 -47.796 1.00 106.88 ? 83 GLU A CD 1 ATOM 13 O OE1 . GLU A 1 16 ? 9.878 17.879 -46.633 1.00 107.10 ? 83 GLU A OE1 1 ATOM 14 O OE2 . GLU A 1 16 ? 8.673 16.678 -48.014 1.00 85.57 ? 83 GLU A OE2 1 ATOM 15 N N . TYR A 1 17 ? 7.181 19.332 -48.166 1.00 54.71 ? 84 TYR A N 1 ATOM 16 C CA . TYR A 1 17 ? 6.417 19.999 -47.156 1.00 49.28 ? 84 TYR A CA 1 ATOM 17 C C . TYR A 1 17 ? 7.237 21.088 -46.471 1.00 46.21 ? 84 TYR A C 1 ATOM 18 O O . TYR A 1 17 ? 8.400 20.957 -46.317 1.00 50.69 ? 84 TYR A O 1 ATOM 19 C CB . TYR A 1 17 ? 5.910 19.018 -46.113 1.00 44.96 ? 84 TYR A CB 1 ATOM 20 C CG . TYR A 1 17 ? 4.914 18.027 -46.630 1.00 43.98 ? 84 TYR A CG 1 ATOM 21 C CD1 . TYR A 1 17 ? 3.739 18.448 -47.248 1.00 43.09 ? 84 TYR A CD1 1 ATOM 22 C CD2 . TYR A 1 17 ? 5.108 16.659 -46.491 1.00 46.69 ? 84 TYR A CD2 1 ATOM 23 C CE1 . TYR A 1 17 ? 2.765 17.531 -47.694 1.00 45.12 ? 84 TYR A CE1 1 ATOM 24 C CE2 . TYR A 1 17 ? 4.132 15.729 -46.927 1.00 44.44 ? 84 TYR A CE2 1 ATOM 25 C CZ . TYR A 1 17 ? 2.961 16.178 -47.535 1.00 47.51 ? 84 TYR A CZ 1 ATOM 26 O OH . TYR A 1 17 ? 1.994 15.299 -48.021 1.00 57.42 ? 84 TYR A OH 1 ATOM 27 N N . ARG A 1 18 ? 6.580 22.178 -46.097 1.00 47.79 ? 85 ARG A N 1 ATOM 28 C CA . ARG A 1 18 ? 7.132 23.189 -45.201 1.00 48.72 ? 85 ARG A CA 1 ATOM 29 C C . ARG A 1 18 ? 7.200 22.766 -43.760 1.00 47.40 ? 85 ARG A C 1 ATOM 30 O O . ARG A 1 18 ? 6.250 22.150 -43.249 1.00 56.01 ? 85 ARG A O 1 ATOM 31 C CB . ARG A 1 18 ? 6.180 24.314 -45.045 1.00 53.90 ? 85 ARG A CB 1 ATOM 32 C CG . ARG A 1 18 ? 6.128 25.314 -46.127 1.00 55.05 ? 85 ARG A CG 1 ATOM 33 C CD . ARG A 1 18 ? 4.876 26.146 -45.817 1.00 55.06 ? 85 ARG A CD 1 ATOM 34 N NE . ARG A 1 18 ? 5.066 27.504 -46.289 1.00 56.21 ? 85 ARG A NE 1 ATOM 35 C CZ . ARG A 1 18 ? 4.098 28.345 -46.568 1.00 51.43 ? 85 ARG A CZ 1 ATOM 36 N NH1 . ARG A 1 18 ? 2.813 28.029 -46.399 1.00 52.56 ? 85 ARG A NH1 1 ATOM 37 N NH2 . ARG A 1 18 ? 4.432 29.518 -47.008 1.00 57.78 ? 85 ARG A NH2 1 ATOM 38 N N . ASN A 1 19 ? 8.279 23.167 -43.097 1.00 47.23 ? 86 ASN A N 1 ATOM 39 C CA . ASN A 1 19 ? 8.531 22.865 -41.678 1.00 49.56 ? 86 ASN A CA 1 ATOM 40 C C . ASN A 1 19 ? 8.672 24.057 -40.779 1.00 47.46 ? 86 ASN A C 1 ATOM 41 O O . ASN A 1 19 ? 8.524 23.928 -39.541 1.00 52.07 ? 86 ASN A O 1 ATOM 42 C CB . ASN A 1 19 ? 9.784 22.012 -41.533 1.00 52.97 ? 86 ASN A CB 1 ATOM 43 C CG . ASN A 1 19 ? 9.677 20.710 -42.309 1.00 56.09 ? 86 ASN A CG 1 ATOM 44 O OD1 . ASN A 1 19 ? 10.360 20.504 -43.301 1.00 80.20 ? 86 ASN A OD1 1 ATOM 45 N ND2 . ASN A 1 19 ? 8.771 19.872 -41.911 1.00 67.45 ? 86 ASN A ND2 1 ATOM 46 N N . TRP A 1 20 ? 8.872 25.228 -41.368 1.00 38.69 ? 87 TRP A N 1 ATOM 47 C CA . TRP A 1 20 ? 9.069 26.440 -40.588 1.00 41.49 ? 87 TRP A CA 1 ATOM 48 C C . TRP A 1 20 ? 10.154 26.304 -39.497 1.00 42.06 ? 87 TRP A C 1 ATOM 49 O O . TRP A 1 20 ? 10.030 26.831 -38.374 1.00 45.83 ? 87 TRP A O 1 ATOM 50 C CB . TRP A 1 20 ? 7.743 26.821 -39.890 1.00 40.95 ? 87 TRP A CB 1 ATOM 51 C CG . TRP A 1 20 ? 6.558 26.919 -40.759 1.00 41.29 ? 87 TRP A CG 1 ATOM 52 C CD1 . TRP A 1 20 ? 5.630 25.961 -40.999 1.00 42.45 ? 87 TRP A CD1 1 ATOM 53 C CD2 . TRP A 1 20 ? 6.157 28.055 -41.516 1.00 39.58 ? 87 TRP A CD2 1 ATOM 54 N NE1 . TRP A 1 20 ? 4.670 26.435 -41.848 1.00 41.53 ? 87 TRP A NE1 1 ATOM 55 C CE2 . TRP A 1 20 ? 4.972 27.718 -42.186 1.00 38.86 ? 87 TRP A CE2 1 ATOM 56 C CE3 . TRP A 1 20 ? 6.692 29.322 -41.702 1.00 40.00 ? 87 TRP A CE3 1 ATOM 57 C CZ2 . TRP A 1 20 ? 4.308 28.599 -43.042 1.00 39.92 ? 87 TRP A CZ2 1 ATOM 58 C CZ3 . TRP A 1 20 ? 6.012 30.209 -42.548 1.00 37.59 ? 87 TRP A CZ3 1 ATOM 59 C CH2 . TRP A 1 20 ? 4.860 29.847 -43.191 1.00 38.79 ? 87 TRP A CH2 1 ATOM 60 N N . SER A 1 21 ? 11.186 25.541 -39.788 1.00 45.03 ? 88 SER A N 1 ATOM 61 C CA . SER A 1 21 ? 12.198 25.164 -38.791 1.00 47.83 ? 88 SER A CA 1 ATOM 62 C C . SER A 1 21 ? 13.359 26.144 -38.842 1.00 48.02 ? 88 SER A C 1 ATOM 63 O O . SER A 1 21 ? 14.476 25.775 -39.150 1.00 54.04 ? 88 SER A O 1 ATOM 64 C CB . SER A 1 21 ? 12.690 23.722 -39.026 1.00 45.94 ? 88 SER A CB 1 ATOM 65 O OG . SER A 1 21 ? 13.174 23.605 -40.351 1.00 48.10 ? 88 SER A OG 1 ATOM 66 N N . LYS A 1 22 ? 13.056 27.397 -38.532 1.00 47.68 ? 89 LYS A N 1 ATOM 67 C CA . LYS A 1 22 ? 14.040 28.471 -38.402 1.00 49.63 ? 89 LYS A CA 1 ATOM 68 C C . LYS A 1 22 ? 13.625 29.328 -37.238 1.00 49.85 ? 89 LYS A C 1 ATOM 69 O O . LYS A 1 22 ? 12.461 29.353 -36.906 1.00 45.48 ? 89 LYS A O 1 ATOM 70 C CB . LYS A 1 22 ? 14.059 29.320 -39.647 1.00 51.16 ? 89 LYS A CB 1 ATOM 71 C CG . LYS A 1 22 ? 14.512 28.528 -40.829 1.00 56.02 ? 89 LYS A CG 1 ATOM 72 C CD . LYS A 1 22 ? 14.469 29.288 -42.121 1.00 54.49 ? 89 LYS A CD 1 ATOM 73 C CE . LYS A 1 22 ? 14.984 28.356 -43.209 1.00 52.43 ? 89 LYS A CE 1 ATOM 74 N NZ . LYS A 1 22 ? 14.677 28.920 -44.526 1.00 56.36 ? 89 LYS A NZ 1 ATOM 75 N N . PRO A 1 23 ? 14.577 30.038 -36.629 1.00 47.51 ? 90 PRO A N 1 ATOM 76 C CA . PRO A 1 23 ? 14.187 30.955 -35.565 1.00 47.42 ? 90 PRO A CA 1 ATOM 77 C C . PRO A 1 23 ? 13.371 32.132 -36.104 1.00 47.35 ? 90 PRO A C 1 ATOM 78 O O . PRO A 1 23 ? 13.374 32.409 -37.311 1.00 40.16 ? 90 PRO A O 1 ATOM 79 C CB . PRO A 1 23 ? 15.533 31.460 -35.010 1.00 48.22 ? 90 PRO A CB 1 ATOM 80 C CG . PRO A 1 23 ? 16.517 31.275 -36.118 1.00 46.77 ? 90 PRO A CG 1 ATOM 81 C CD . PRO A 1 23 ? 15.995 30.169 -37.020 1.00 47.46 ? 90 PRO A CD 1 ATOM 82 N N . GLN A 1 24 ? 12.634 32.771 -35.198 1.00 43.13 ? 91 GLN A N 1 ATOM 83 C CA . GLN A 1 24 ? 11.838 33.942 -35.509 1.00 43.45 ? 91 GLN A CA 1 ATOM 84 C C . GLN A 1 24 ? 12.771 35.113 -35.790 1.00 48.35 ? 91 GLN A C 1 ATOM 85 O O . GLN A 1 24 ? 13.712 35.308 -35.035 1.00 47.17 ? 91 GLN A O 1 ATOM 86 C CB . GLN A 1 24 ? 10.933 34.234 -34.310 1.00 40.53 ? 91 GLN A CB 1 ATOM 87 C CG . GLN A 1 24 ? 10.053 35.462 -34.405 1.00 42.31 ? 91 GLN A CG 1 ATOM 88 C CD . GLN A 1 24 ? 8.980 35.440 -33.314 1.00 42.05 ? 91 GLN A CD 1 ATOM 89 O OE1 . GLN A 1 24 ? 7.969 34.753 -33.443 1.00 39.90 ? 91 GLN A OE1 1 ATOM 90 N NE2 . GLN A 1 24 ? 9.209 36.175 -32.232 1.00 40.92 ? 91 GLN A NE2 1 ATOM 91 N N . CYS A 1 25 ? 12.497 35.900 -36.830 1.00 47.84 ? 92 CYS A N 1 ATOM 92 C CA . CYS A 1 25 ? 13.267 37.116 -37.113 1.00 52.01 ? 92 CYS A CA 1 ATOM 93 C C . CYS A 1 25 ? 13.178 38.065 -35.926 1.00 52.91 ? 92 CYS A C 1 ATOM 94 O O . CYS A 1 25 ? 12.126 38.212 -35.342 1.00 49.08 ? 92 CYS A O 1 ATOM 95 C CB . CYS A 1 25 ? 12.791 37.840 -38.399 1.00 56.37 ? 92 CYS A CB 1 ATOM 96 S SG . CYS A 1 25 ? 12.760 36.784 -39.904 1.00 77.29 ? 92 CYS A SG 1 ATOM 97 N N . GLN A 1 26 ? 14.297 38.666 -35.541 1.00 50.41 ? 93 GLN A N 1 ATOM 98 C CA . GLN A 1 26 ? 14.297 39.688 -34.487 1.00 59.95 ? 93 GLN A CA 1 ATOM 99 C C . GLN A 1 26 ? 13.895 40.979 -35.148 1.00 55.46 ? 93 GLN A C 1 ATOM 100 O O . GLN A 1 26 ? 14.624 41.488 -35.961 1.00 67.32 ? 93 GLN A O 1 ATOM 101 C CB . GLN A 1 26 ? 15.686 39.826 -33.817 1.00 64.39 ? 93 GLN A CB 1 ATOM 102 C CG . GLN A 1 26 ? 16.118 38.581 -33.017 1.00 64.42 ? 93 GLN A CG 1 ATOM 103 C CD . GLN A 1 26 ? 15.053 38.151 -32.007 1.00 65.48 ? 93 GLN A CD 1 ATOM 104 O OE1 . GLN A 1 26 ? 14.870 38.785 -30.961 1.00 61.84 ? 93 GLN A OE1 1 ATOM 105 N NE2 . GLN A 1 26 ? 14.321 37.093 -32.336 1.00 59.98 ? 93 GLN A NE2 1 ATOM 106 N N . ILE A 1 27 ? 12.705 41.457 -34.831 1.00 49.32 ? 94 ILE A N 1 ATOM 107 C CA . ILE A 1 27 ? 12.123 42.593 -35.498 1.00 50.06 ? 94 ILE A CA 1 ATOM 108 C C . ILE A 1 27 ? 12.159 43.800 -34.604 1.00 47.71 ? 94 ILE A C 1 ATOM 109 O O . ILE A 1 27 ? 12.186 43.667 -33.399 1.00 40.51 ? 94 ILE A O 1 ATOM 110 C CB . ILE A 1 27 ? 10.659 42.385 -35.953 1.00 52.11 ? 94 ILE A CB 1 ATOM 111 C CG1 . ILE A 1 27 ? 9.733 42.232 -34.775 1.00 49.31 ? 94 ILE A CG1 1 ATOM 112 C CG2 . ILE A 1 27 ? 10.478 41.151 -36.868 1.00 53.92 ? 94 ILE A CG2 1 ATOM 113 C CD1 . ILE A 1 27 ? 8.292 42.324 -35.217 1.00 56.04 ? 94 ILE A CD1 1 ATOM 114 N N . THR A 1 28 ? 12.146 44.976 -35.235 1.00 44.78 ? 95 THR A N 1 ATOM 115 C CA . THR A 1 28 ? 12.162 46.243 -34.547 1.00 42.99 ? 95 THR A CA 1 ATOM 116 C C . THR A 1 28 ? 10.811 46.955 -34.656 1.00 44.07 ? 95 THR A C 1 ATOM 117 O O . THR A 1 28 ? 10.594 48.021 -34.039 1.00 39.54 ? 95 THR A O 1 ATOM 118 C CB . THR A 1 28 ? 13.201 47.145 -35.178 1.00 45.86 ? 95 THR A CB 1 ATOM 119 O OG1 . THR A 1 28 ? 12.943 47.267 -36.585 1.00 48.07 ? 95 THR A OG1 1 ATOM 120 C CG2 . THR A 1 28 ? 14.579 46.537 -34.987 1.00 45.39 ? 95 THR A CG2 1 ATOM 121 N N . GLY A 1 29 ? 9.890 46.320 -35.386 1.00 40.14 ? 96 GLY A N 1 ATOM 122 C CA . GLY A 1 29 ? 8.608 46.885 -35.716 1.00 36.79 ? 96 GLY A CA 1 ATOM 123 C C . GLY A 1 29 ? 8.127 46.352 -37.037 1.00 39.02 ? 96 GLY A C 1 ATOM 124 O O . GLY A 1 29 ? 8.561 45.284 -37.492 1.00 40.51 ? 96 GLY A O 1 ATOM 125 N N . PHE A 1 30 ? 7.228 47.102 -37.672 1.00 38.56 ? 97 PHE A N 1 ATOM 126 C CA . PHE A 1 30 ? 6.559 46.647 -38.883 1.00 37.01 ? 97 PHE A CA 1 ATOM 127 C C . PHE A 1 30 ? 6.600 47.705 -39.976 1.00 38.69 ? 97 PHE A C 1 ATOM 128 O O . PHE A 1 30 ? 6.538 48.884 -39.691 1.00 36.60 ? 97 PHE A O 1 ATOM 129 C CB . PHE A 1 30 ? 5.131 46.284 -38.573 1.00 39.85 ? 97 PHE A CB 1 ATOM 130 C CG . PHE A 1 30 ? 5.018 45.227 -37.550 1.00 38.15 ? 97 PHE A CG 1 ATOM 131 C CD1 . PHE A 1 30 ? 5.040 43.918 -37.910 1.00 39.59 ? 97 PHE A CD1 1 ATOM 132 C CD2 . PHE A 1 30 ? 4.912 45.551 -36.199 1.00 40.37 ? 97 PHE A CD2 1 ATOM 133 C CE1 . PHE A 1 30 ? 4.969 42.911 -36.950 1.00 40.60 ? 97 PHE A CE1 1 ATOM 134 C CE2 . PHE A 1 30 ? 4.819 44.548 -35.227 1.00 42.63 ? 97 PHE A CE2 1 ATOM 135 C CZ . PHE A 1 30 ? 4.848 43.220 -35.606 1.00 38.41 ? 97 PHE A CZ 1 ATOM 136 N N . ALA A 1 31 ? 6.662 47.240 -41.222 1.00 36.59 ? 98 ALA A N 1 ATOM 137 C CA . ALA A 1 31 ? 6.705 48.112 -42.367 1.00 33.54 ? 98 ALA A CA 1 ATOM 138 C C . ALA A 1 31 ? 5.501 47.827 -43.300 1.00 33.85 ? 98 ALA A C 1 ATOM 139 O O . ALA A 1 31 ? 5.031 46.710 -43.403 1.00 33.77 ? 98 ALA A O 1 ATOM 140 C CB . ALA A 1 31 ? 8.019 47.874 -43.105 1.00 36.83 ? 98 ALA A CB 1 ATOM 141 N N . PRO A 1 32 ? 5.061 48.821 -44.040 1.00 33.40 ? 99 PRO A N 1 ATOM 142 C CA . PRO A 1 32 ? 3.961 48.685 -44.980 1.00 35.03 ? 99 PRO A CA 1 ATOM 143 C C . PRO A 1 32 ? 4.222 47.687 -46.065 1.00 34.81 ? 99 PRO A C 1 ATOM 144 O O . PRO A 1 32 ? 5.330 47.626 -46.622 1.00 44.71 ? 99 PRO A O 1 ATOM 145 C CB . PRO A 1 32 ? 3.855 50.077 -45.589 1.00 36.93 ? 99 PRO A CB 1 ATOM 146 C CG . PRO A 1 32 ? 4.503 50.988 -44.586 1.00 38.47 ? 99 PRO A CG 1 ATOM 147 C CD . PRO A 1 32 ? 5.663 50.159 -44.102 1.00 35.02 ? 99 PRO A CD 1 ATOM 148 N N . PHE A 1 33 ? 3.221 46.891 -46.342 1.00 33.71 ? 100 PHE A N 1 ATOM 149 C CA . PHE A 1 33 ? 3.340 45.808 -47.297 1.00 38.33 ? 100 PHE A CA 1 ATOM 150 C C . PHE A 1 33 ? 2.262 45.838 -48.400 1.00 40.68 ? 100 PHE A C 1 ATOM 151 O O . PHE A 1 33 ? 2.598 45.737 -49.548 1.00 44.56 ? 100 PHE A O 1 ATOM 152 C CB . PHE A 1 33 ? 3.281 44.490 -46.549 1.00 38.42 ? 100 PHE A CB 1 ATOM 153 C CG . PHE A 1 33 ? 3.580 43.266 -47.389 1.00 35.13 ? 100 PHE A CG 1 ATOM 154 C CD1 . PHE A 1 33 ? 4.661 43.226 -48.233 1.00 39.48 ? 100 PHE A CD1 1 ATOM 155 C CD2 . PHE A 1 33 ? 2.800 42.134 -47.265 1.00 36.37 ? 100 PHE A CD2 1 ATOM 156 C CE1 . PHE A 1 33 ? 4.964 42.060 -48.945 1.00 40.86 ? 100 PHE A CE1 1 ATOM 157 C CE2 . PHE A 1 33 ? 3.102 40.956 -47.943 1.00 35.51 ? 100 PHE A CE2 1 ATOM 158 C CZ . PHE A 1 33 ? 4.185 40.918 -48.781 1.00 37.02 ? 100 PHE A CZ 1 ATOM 159 N N . SER A 1 34 ? 0.996 45.970 -48.056 1.00 37.28 ? 101 SER A N 1 ATOM 160 C CA . SER A 1 34 ? -0.025 45.938 -49.091 1.00 38.11 ? 101 SER A CA 1 ATOM 161 C C . SER A 1 34 ? -1.291 46.633 -48.644 1.00 37.40 ? 101 SER A C 1 ATOM 162 O O . SER A 1 34 ? -1.554 46.764 -47.434 1.00 31.60 ? 101 SER A O 1 ATOM 163 C CB . SER A 1 34 ? -0.339 44.521 -49.467 1.00 42.25 ? 101 SER A CB 1 ATOM 164 O OG . SER A 1 34 ? -1.104 44.423 -50.684 1.00 44.21 ? 101 SER A OG 1 ATOM 165 N N . LYS A 1 35 ? -2.040 47.132 -49.633 1.00 35.05 ? 102 LYS A N 1 ATOM 166 C CA . LYS A 1 35 ? -3.310 47.807 -49.360 1.00 37.64 ? 102 LYS A CA 1 ATOM 167 C C . LYS A 1 35 ? -4.183 47.566 -50.533 1.00 39.67 ? 102 LYS A C 1 ATOM 168 O O . LYS A 1 35 ? -3.715 47.689 -51.659 1.00 37.94 ? 102 LYS A O 1 ATOM 169 C CB . LYS A 1 35 ? -3.066 49.285 -49.239 1.00 39.69 ? 102 LYS A CB 1 ATOM 170 C CG . LYS A 1 35 ? -4.204 50.063 -48.677 1.00 43.59 ? 102 LYS A CG 1 ATOM 171 C CD . LYS A 1 35 ? -3.874 51.542 -48.502 1.00 44.71 ? 102 LYS A CD 1 ATOM 172 C CE . LYS A 1 35 ? -4.969 52.251 -47.648 1.00 48.05 ? 102 LYS A CE 1 ATOM 173 N NZ . LYS A 1 35 ? -6.341 52.265 -48.291 1.00 46.84 ? 102 LYS A NZ 1 ATOM 174 N N . ASP A 1 36 ? -5.465 47.257 -50.340 1.00 38.21 ? 103 ASP A N 1 ATOM 175 C CA . ASP A 1 36 ? -6.254 46.976 -51.549 1.00 39.36 ? 103 ASP A CA 1 ATOM 176 C C . ASP A 1 36 ? -7.220 48.024 -52.070 1.00 36.99 ? 103 ASP A C 1 ATOM 177 O O . ASP A 1 36 ? -7.644 47.935 -53.205 1.00 37.61 ? 103 ASP A O 1 ATOM 178 C CB . ASP A 1 36 ? -6.902 45.603 -51.463 1.00 49.79 ? 103 ASP A CB 1 ATOM 179 C CG . ASP A 1 36 ? -8.050 45.576 -50.547 1.00 56.43 ? 103 ASP A CG 1 ATOM 180 O OD1 . ASP A 1 36 ? -8.224 46.612 -49.828 1.00 55.77 ? 103 ASP A OD1 1 ATOM 181 O OD2 . ASP A 1 36 ? -8.805 44.540 -50.590 1.00 60.35 ? 103 ASP A OD2 1 ATOM 182 N N . ASN A 1 37 ? -7.554 49.024 -51.268 1.00 36.09 ? 104 ASN A N 1 ATOM 183 C CA . ASN A 1 37 ? -8.425 50.119 -51.707 1.00 34.95 ? 104 ASN A CA 1 ATOM 184 C C . ASN A 1 37 ? -9.806 49.705 -52.210 1.00 37.31 ? 104 ASN A C 1 ATOM 185 O O . ASN A 1 37 ? -10.418 50.429 -53.005 1.00 38.12 ? 104 ASN A O 1 ATOM 186 C CB . ASN A 1 37 ? -7.719 50.952 -52.776 1.00 37.79 ? 104 ASN A CB 1 ATOM 187 C CG . ASN A 1 37 ? -6.555 51.755 -52.236 1.00 40.34 ? 104 ASN A CG 1 ATOM 188 O OD1 . ASN A 1 37 ? -6.663 52.475 -51.241 1.00 40.60 ? 104 ASN A OD1 1 ATOM 189 N ND2 . ASN A 1 37 ? -5.387 51.547 -52.829 1.00 45.25 ? 104 ASN A ND2 1 ATOM 190 N N . SER A 1 38 ? -10.324 48.572 -51.729 1.00 36.68 ? 105 SER A N 1 ATOM 191 C CA . SER A 1 38 ? -11.567 48.037 -52.247 1.00 39.31 ? 105 SER A CA 1 ATOM 192 C C . SER A 1 38 ? -12.746 48.979 -52.253 1.00 38.76 ? 105 SER A C 1 ATOM 193 O O . SER A 1 38 ? -13.560 48.943 -53.194 1.00 37.23 ? 105 SER A O 1 ATOM 194 C CB . SER A 1 38 ? -12.057 46.822 -51.419 1.00 47.56 ? 105 SER A CB 1 ATOM 195 O OG . SER A 1 38 ? -11.022 45.906 -51.300 1.00 61.71 ? 105 SER A OG 1 ATOM 196 N N . ILE A 1 39 ? -12.930 49.701 -51.164 1.00 35.41 ? 106 ILE A N 1 ATOM 197 C CA . ILE A 1 39 ? -14.154 50.520 -51.020 1.00 37.54 ? 106 ILE A CA 1 ATOM 198 C C . ILE A 1 39 ? -14.040 51.738 -51.948 1.00 37.19 ? 106 ILE A C 1 ATOM 199 O O . ILE A 1 39 ? -15.002 52.089 -52.638 1.00 41.43 ? 106 ILE A O 1 ATOM 200 C CB . ILE A 1 39 ? -14.416 50.965 -49.549 1.00 33.63 ? 106 ILE A CB 1 ATOM 201 C CG1 . ILE A 1 39 ? -14.440 49.768 -48.596 1.00 33.90 ? 106 ILE A CG1 1 ATOM 202 C CG2 . ILE A 1 39 ? -15.726 51.663 -49.447 1.00 33.68 ? 106 ILE A CG2 1 ATOM 203 C CD1 . ILE A 1 39 ? -15.361 48.678 -49.032 1.00 37.62 ? 106 ILE A CD1 1 ATOM 204 N N . ARG A 1 40 ? -12.876 52.390 -51.942 1.00 34.30 ? 107 ARG A N 1 ATOM 205 C CA . ARG A 1 40 ? -12.619 53.470 -52.895 1.00 37.87 ? 107 ARG A CA 1 ATOM 206 C C . ARG A 1 40 ? -12.898 53.013 -54.367 1.00 39.22 ? 107 ARG A C 1 ATOM 207 O O . ARG A 1 40 ? -13.577 53.698 -55.100 1.00 34.93 ? 107 ARG A O 1 ATOM 208 C CB . ARG A 1 40 ? -11.193 53.994 -52.758 1.00 34.99 ? 107 ARG A CB 1 ATOM 209 C CG . ARG A 1 40 ? -10.993 54.874 -51.535 1.00 39.16 ? 107 ARG A CG 1 ATOM 210 C CD . ARG A 1 40 ? -9.525 55.160 -51.251 1.00 32.90 ? 107 ARG A CD 1 ATOM 211 N NE . ARG A 1 40 ? -8.878 55.887 -52.320 1.00 36.65 ? 107 ARG A NE 1 ATOM 212 C CZ . ARG A 1 40 ? -8.866 57.209 -52.419 1.00 39.42 ? 107 ARG A CZ 1 ATOM 213 N NH1 . ARG A 1 40 ? -8.237 57.799 -53.414 1.00 36.72 ? 107 ARG A NH1 1 ATOM 214 N NH2 . ARG A 1 40 ? -9.456 57.946 -51.492 1.00 40.44 ? 107 ARG A NH2 1 ATOM 215 N N . LEU A 1 41 ? -12.416 51.820 -54.733 1.00 37.55 ? 108 LEU A N 1 ATOM 216 C CA . LEU A 1 41 ? -12.661 51.285 -56.045 1.00 36.42 ? 108 LEU A CA 1 ATOM 217 C C . LEU A 1 41 ? -14.123 50.907 -56.311 1.00 39.99 ? 108 LEU A C 1 ATOM 218 O O . LEU A 1 41 ? -14.614 51.039 -57.447 1.00 36.04 ? 108 LEU A O 1 ATOM 219 C CB . LEU A 1 41 ? -11.769 50.097 -56.310 1.00 37.74 ? 108 LEU A CB 1 ATOM 220 C CG . LEU A 1 41 ? -10.261 50.394 -56.316 1.00 41.04 ? 108 LEU A CG 1 ATOM 221 C CD1 . LEU A 1 41 ? -9.473 49.112 -56.238 1.00 41.04 ? 108 LEU A CD1 1 ATOM 222 C CD2 . LEU A 1 41 ? -9.833 51.154 -57.549 1.00 39.34 ? 108 LEU A CD2 1 ATOM 223 N N . SER A 1 42 ? -14.819 50.450 -55.278 1.00 37.56 ? 109 SER A N 1 ATOM 224 C CA . SER A 1 42 ? -16.246 50.074 -55.380 1.00 39.42 ? 109 SER A CA 1 ATOM 225 C C . SER A 1 42 ? -17.164 51.194 -55.845 1.00 39.15 ? 109 SER A C 1 ATOM 226 O O . SER A 1 42 ? -18.224 50.941 -56.398 1.00 46.68 ? 109 SER A O 1 ATOM 227 C CB . SER A 1 42 ? -16.738 49.602 -54.009 1.00 41.94 ? 109 SER A CB 1 ATOM 228 O OG . SER A 1 42 ? -16.109 48.364 -53.698 1.00 42.06 ? 109 SER A OG 1 ATOM 229 N N . ALA A 1 43 ? -16.752 52.433 -55.627 1.00 42.00 ? 110 ALA A N 1 ATOM 230 C CA . ALA A 1 43 ? -17.492 53.589 -56.071 1.00 44.28 ? 110 ALA A CA 1 ATOM 231 C C . ALA A 1 43 ? -17.361 53.898 -57.565 1.00 47.49 ? 110 ALA A C 1 ATOM 232 O O . ALA A 1 43 ? -17.986 54.834 -58.039 1.00 48.00 ? 110 ALA A O 1 ATOM 233 C CB . ALA A 1 43 ? -17.040 54.807 -55.274 1.00 47.04 ? 110 ALA A CB 1 ATOM 234 N N . GLY A 1 44 ? -16.532 53.155 -58.286 1.00 49.14 ? 111 GLY A N 1 ATOM 235 C CA . GLY A 1 44 ? -16.429 53.318 -59.738 1.00 56.11 ? 111 GLY A CA 1 ATOM 236 C C . GLY A 1 44 ? -15.940 52.034 -60.403 1.00 58.67 ? 111 GLY A C 1 ATOM 237 O O . GLY A 1 44 ? -14.936 52.018 -61.117 1.00 70.33 ? 111 GLY A O 1 ATOM 238 N N . GLY A 1 45 ? -16.649 50.955 -60.133 1.00 52.01 ? 112 GLY A N 1 ATOM 239 C CA . GLY A 1 45 ? -16.288 49.639 -60.618 1.00 46.91 ? 112 GLY A CA 1 ATOM 240 C C . GLY A 1 45 ? -17.064 48.572 -59.862 1.00 44.98 ? 112 GLY A C 1 ATOM 241 O O . GLY A 1 45 ? -17.632 48.827 -58.781 1.00 47.70 ? 112 GLY A O 1 ATOM 242 N N . ASP A 1 46 ? -17.063 47.380 -60.434 1.00 46.06 ? 113 ASP A N 1 ATOM 243 C CA . ASP A 1 46 ? -17.746 46.194 -59.874 1.00 43.96 ? 113 ASP A CA 1 ATOM 244 C C . ASP A 1 46 ? -16.777 45.425 -58.989 1.00 41.42 ? 113 ASP A C 1 ATOM 245 O O . ASP A 1 46 ? -15.899 44.732 -59.473 1.00 41.07 ? 113 ASP A O 1 ATOM 246 C CB . ASP A 1 46 ? -18.298 45.333 -61.000 1.00 44.73 ? 113 ASP A CB 1 ATOM 247 C CG . ASP A 1 46 ? -19.158 46.154 -61.992 1.00 54.95 ? 113 ASP A CG 1 ATOM 248 O OD1 . ASP A 1 46 ? -20.136 46.796 -61.544 1.00 60.04 ? 113 ASP A OD1 1 ATOM 249 O OD2 . ASP A 1 46 ? -18.873 46.164 -63.206 1.00 58.07 ? 113 ASP A OD2 1 ATOM 250 N N . ILE A 1 47 ? -16.967 45.577 -57.692 1.00 38.09 ? 114 ILE A N 1 ATOM 251 C CA . ILE A 1 47 ? -16.135 45.000 -56.669 1.00 38.43 ? 114 ILE A CA 1 ATOM 252 C C . ILE A 1 47 ? -17.008 44.241 -55.649 1.00 37.74 ? 114 ILE A C 1 ATOM 253 O O . ILE A 1 47 ? -18.088 44.686 -55.281 1.00 34.15 ? 114 ILE A O 1 ATOM 254 C CB . ILE A 1 47 ? -15.412 46.100 -55.909 1.00 39.38 ? 114 ILE A CB 1 ATOM 255 C CG1 . ILE A 1 47 ? -14.490 46.907 -56.838 1.00 44.86 ? 114 ILE A CG1 1 ATOM 256 C CG2 . ILE A 1 47 ? -14.665 45.557 -54.729 1.00 35.24 ? 114 ILE A CG2 1 ATOM 257 C CD1 . ILE A 1 47 ? -13.308 46.151 -57.414 1.00 41.83 ? 114 ILE A CD1 1 ATOM 258 N N . TRP A 1 48 ? -16.500 43.108 -55.187 1.00 34.68 ? 115 TRP A N 1 ATOM 259 C CA . TRP A 1 48 ? -17.220 42.237 -54.251 1.00 40.54 ? 115 TRP A CA 1 ATOM 260 C C . TRP A 1 48 ? -17.440 42.904 -52.895 1.00 37.30 ? 115 TRP A C 1 ATOM 261 O O . TRP A 1 48 ? -16.575 43.614 -52.426 1.00 36.02 ? 115 TRP A O 1 ATOM 262 C CB . TRP A 1 48 ? -16.410 40.959 -53.971 1.00 36.05 ? 115 TRP A CB 1 ATOM 263 C CG . TRP A 1 48 ? -16.589 39.913 -54.977 1.00 36.05 ? 115 TRP A CG 1 ATOM 264 C CD1 . TRP A 1 48 ? -15.890 39.769 -56.156 1.00 36.36 ? 115 TRP A CD1 1 ATOM 265 C CD2 . TRP A 1 48 ? -17.507 38.825 -54.926 1.00 35.75 ? 115 TRP A CD2 1 ATOM 266 N NE1 . TRP A 1 48 ? -16.316 38.669 -56.839 1.00 36.98 ? 115 TRP A NE1 1 ATOM 267 C CE2 . TRP A 1 48 ? -17.304 38.059 -56.100 1.00 37.55 ? 115 TRP A CE2 1 ATOM 268 C CE3 . TRP A 1 48 ? -18.474 38.403 -53.997 1.00 38.87 ? 115 TRP A CE3 1 ATOM 269 C CZ2 . TRP A 1 48 ? -18.039 36.932 -56.378 1.00 37.14 ? 115 TRP A CZ2 1 ATOM 270 C CZ3 . TRP A 1 48 ? -19.215 37.258 -54.277 1.00 37.74 ? 115 TRP A CZ3 1 ATOM 271 C CH2 . TRP A 1 48 ? -18.992 36.536 -55.450 1.00 40.27 ? 115 TRP A CH2 1 ATOM 272 N N . VAL A 1 49 ? -18.604 42.703 -52.332 1.00 35.31 ? 116 VAL A N 1 ATOM 273 C CA . VAL A 1 49 ? -18.829 42.986 -50.914 1.00 36.63 ? 116 VAL A CA 1 ATOM 274 C C . VAL A 1 49 ? -18.293 41.828 -50.089 1.00 36.68 ? 116 VAL A C 1 ATOM 275 O O . VAL A 1 49 ? -18.566 40.657 -50.385 1.00 30.73 ? 116 VAL A O 1 ATOM 276 C CB . VAL A 1 49 ? -20.317 43.107 -50.620 1.00 38.17 ? 116 VAL A CB 1 ATOM 277 C CG1 . VAL A 1 49 ? -20.582 43.168 -49.130 1.00 38.41 ? 116 VAL A CG1 1 ATOM 278 C CG2 . VAL A 1 49 ? -20.866 44.355 -51.322 1.00 38.97 ? 116 VAL A CG2 1 ATOM 279 N N . THR A 1 50 ? -17.509 42.166 -49.076 1.00 37.19 ? 117 THR A N 1 ATOM 280 C CA . THR A 1 50 ? -16.872 41.172 -48.227 1.00 41.19 ? 117 THR A CA 1 ATOM 281 C C . THR A 1 50 ? -16.863 41.519 -46.726 1.00 35.50 ? 117 THR A C 1 ATOM 282 O O . THR A 1 50 ? -17.153 42.609 -46.326 1.00 32.80 ? 117 THR A O 1 ATOM 283 C CB . THR A 1 50 ? -15.372 41.002 -48.637 1.00 41.90 ? 117 THR A CB 1 ATOM 284 O OG1 . THR A 1 50 ? -14.687 42.191 -48.374 1.00 45.92 ? 117 THR A OG1 1 ATOM 285 C CG2 . THR A 1 50 ? -15.157 40.722 -50.125 1.00 45.12 ? 117 THR A CG2 1 ATOM 286 N N . ARG A 1 51 ? -16.402 40.557 -45.954 1.00 34.89 ? 118 ARG A N 1 ATOM 287 C CA . ARG A 1 51 ? -15.895 40.766 -44.593 1.00 39.27 ? 118 ARG A CA 1 ATOM 288 C C . ARG A 1 51 ? -15.032 39.576 -44.156 1.00 36.39 ? 118 ARG A C 1 ATOM 289 O O . ARG A 1 51 ? -14.917 38.567 -44.870 1.00 39.19 ? 118 ARG A O 1 ATOM 290 C CB . ARG A 1 51 ? -17.025 40.994 -43.564 1.00 41.07 ? 118 ARG A CB 1 ATOM 291 C CG . ARG A 1 51 ? -17.276 42.445 -43.259 1.00 38.69 ? 118 ARG A CG 1 ATOM 292 C CD . ARG A 1 51 ? -17.746 42.671 -41.792 1.00 40.82 ? 118 ARG A CD 1 ATOM 293 N NE . ARG A 1 51 ? -16.650 42.364 -40.879 1.00 42.14 ? 118 ARG A NE 1 ATOM 294 C CZ . ARG A 1 51 ? -16.769 41.935 -39.631 1.00 43.98 ? 118 ARG A CZ 1 ATOM 295 N NH1 . ARG A 1 51 ? -17.951 41.831 -39.075 1.00 45.66 ? 118 ARG A NH1 1 ATOM 296 N NH2 . ARG A 1 51 ? -15.691 41.631 -38.923 1.00 43.23 ? 118 ARG A NH2 1 ATOM 297 N N . GLU A 1 52 ? -14.391 39.722 -42.992 1.00 37.71 ? 119 GLU A N 1 ATOM 298 C CA . GLU A 1 52 ? -13.567 38.635 -42.399 1.00 35.71 ? 119 GLU A CA 1 ATOM 299 C C . GLU A 1 52 ? -12.458 38.234 -43.385 1.00 33.55 ? 119 GLU A C 1 ATOM 300 O O . GLU A 1 52 ? -12.275 37.086 -43.715 1.00 35.22 ? 119 GLU A O 1 ATOM 301 C CB . GLU A 1 52 ? -14.402 37.423 -42.009 1.00 39.21 ? 119 GLU A CB 1 ATOM 302 C CG . GLU A 1 52 ? -15.471 37.643 -40.887 1.00 46.60 ? 119 GLU A CG 1 ATOM 303 C CD . GLU A 1 52 ? -16.862 38.108 -41.380 1.00 48.85 ? 119 GLU A CD 1 ATOM 304 O OE1 . GLU A 1 52 ? -17.282 37.829 -42.532 1.00 47.58 ? 119 GLU A OE1 1 ATOM 305 O OE2 . GLU A 1 52 ? -17.549 38.805 -40.604 1.00 59.81 ? 119 GLU A OE2 1 ATOM 306 N N . PRO A 1 53 ? -11.633 39.195 -43.785 1.00 31.88 ? 120 PRO A N 1 ATOM 307 C CA . PRO A 1 53 ? -10.540 38.857 -44.640 1.00 30.94 ? 120 PRO A CA 1 ATOM 308 C C . PRO A 1 53 ? -9.338 38.315 -43.905 1.00 33.02 ? 120 PRO A C 1 ATOM 309 O O . PRO A 1 53 ? -9.241 38.484 -42.679 1.00 32.34 ? 120 PRO A O 1 ATOM 310 C CB . PRO A 1 53 ? -10.139 40.213 -45.200 1.00 33.19 ? 120 PRO A CB 1 ATOM 311 C CG . PRO A 1 53 ? -10.361 41.134 -44.052 1.00 31.71 ? 120 PRO A CG 1 ATOM 312 C CD . PRO A 1 53 ? -11.588 40.600 -43.361 1.00 31.68 ? 120 PRO A CD 1 ATOM 313 N N . TYR A 1 54 ? -8.397 37.759 -44.672 1.00 30.54 ? 121 TYR A N 1 ATOM 314 C CA . TYR A 1 54 ? -7.137 37.406 -44.121 1.00 32.48 ? 121 TYR A CA 1 ATOM 315 C C . TYR A 1 54 ? -6.119 37.207 -45.246 1.00 35.51 ? 121 TYR A C 1 ATOM 316 O O . TYR A 1 54 ? -6.439 37.351 -46.432 1.00 34.52 ? 121 TYR A O 1 ATOM 317 C CB . TYR A 1 54 ? -7.254 36.198 -43.206 1.00 32.67 ? 121 TYR A CB 1 ATOM 318 C CG . TYR A 1 54 ? -7.824 34.931 -43.860 1.00 36.57 ? 121 TYR A CG 1 ATOM 319 C CD1 . TYR A 1 54 ? -9.148 34.677 -43.822 1.00 32.89 ? 121 TYR A CD1 1 ATOM 320 C CD2 . TYR A 1 54 ? -7.003 33.962 -44.432 1.00 36.08 ? 121 TYR A CD2 1 ATOM 321 C CE1 . TYR A 1 54 ? -9.685 33.522 -44.354 1.00 35.32 ? 121 TYR A CE1 1 ATOM 322 C CE2 . TYR A 1 54 ? -7.539 32.810 -44.974 1.00 34.52 ? 121 TYR A CE2 1 ATOM 323 C CZ . TYR A 1 54 ? -8.900 32.593 -44.923 1.00 35.91 ? 121 TYR A CZ 1 ATOM 324 O OH . TYR A 1 54 ? -9.519 31.488 -45.474 1.00 32.11 ? 121 TYR A OH 1 ATOM 325 N N . VAL A 1 55 ? -4.887 36.907 -44.848 1.00 33.32 ? 122 VAL A N 1 ATOM 326 C CA . VAL A 1 55 ? -3.791 36.746 -45.777 1.00 36.38 ? 122 VAL A CA 1 ATOM 327 C C . VAL A 1 55 ? -2.998 35.486 -45.431 1.00 35.72 ? 122 VAL A C 1 ATOM 328 O O . VAL A 1 55 ? -2.898 35.105 -44.279 1.00 41.76 ? 122 VAL A O 1 ATOM 329 C CB . VAL A 1 55 ? -2.864 37.965 -45.706 1.00 40.32 ? 122 VAL A CB 1 ATOM 330 C CG1 . VAL A 1 55 ? -1.678 37.766 -46.603 1.00 40.02 ? 122 VAL A CG1 1 ATOM 331 C CG2 . VAL A 1 55 ? -3.613 39.252 -46.068 1.00 40.43 ? 122 VAL A CG2 1 ATOM 332 N N . SER A 1 56 ? -2.556 34.784 -46.455 1.00 39.45 ? 123 SER A N 1 ATOM 333 C CA . SER A 1 56 ? -1.768 33.571 -46.314 1.00 39.40 ? 123 SER A CA 1 ATOM 334 C C . SER A 1 56 ? -0.901 33.412 -47.589 1.00 44.73 ? 123 SER A C 1 ATOM 335 O O . SER A 1 56 ? -1.333 33.787 -48.675 1.00 45.06 ? 123 SER A O 1 ATOM 336 C CB . SER A 1 56 ? -2.670 32.366 -46.073 1.00 38.10 ? 123 SER A CB 1 ATOM 337 O OG . SER A 1 56 ? -1.886 31.268 -45.753 1.00 36.88 ? 123 SER A OG 1 ATOM 338 N N . CYS A 1 57 ? 0.338 32.948 -47.412 1.00 44.41 ? 124 CYS A N 1 ATOM 339 C CA . CYS A 1 57 ? 1.343 32.837 -48.497 1.00 46.15 ? 124 CYS A CA 1 ATOM 340 C C . CYS A 1 57 ? 1.723 31.384 -48.724 1.00 45.61 ? 124 CYS A C 1 ATOM 341 O O . CYS A 1 57 ? 1.920 30.677 -47.805 1.00 45.87 ? 124 CYS A O 1 ATOM 342 C CB . CYS A 1 57 ? 2.596 33.669 -48.181 1.00 44.99 ? 124 CYS A CB 1 ATOM 343 S SG . CYS A 1 57 ? 2.161 35.407 -47.766 1.00 56.16 ? 124 CYS A SG 1 ATOM 344 N N . SER A 1 58 ? 1.688 30.939 -49.968 1.00 48.38 ? 125 SER A N 1 ATOM 345 C CA . SER A 1 58 ? 2.401 29.752 -50.375 1.00 47.91 ? 125 SER A CA 1 ATOM 346 C C . SER A 1 58 ? 3.885 30.102 -50.403 1.00 51.81 ? 125 SER A C 1 ATOM 347 O O . SER A 1 58 ? 4.261 31.243 -50.158 1.00 51.03 ? 125 SER A O 1 ATOM 348 C CB . SER A 1 58 ? 1.940 29.311 -51.751 1.00 45.55 ? 125 SER A CB 1 ATOM 349 O OG . SER A 1 58 ? 2.239 30.286 -52.694 1.00 46.24 ? 125 SER A OG 1 ATOM 350 N N . PRO A 1 59 ? 4.752 29.131 -50.683 1.00 56.98 ? 126 PRO A N 1 ATOM 351 C CA . PRO A 1 59 ? 6.194 29.476 -50.766 1.00 54.98 ? 126 PRO A CA 1 ATOM 352 C C . PRO A 1 59 ? 6.478 30.395 -51.951 1.00 49.88 ? 126 PRO A C 1 ATOM 353 O O . PRO A 1 59 ? 7.363 31.202 -51.876 1.00 54.41 ? 126 PRO A O 1 ATOM 354 C CB . PRO A 1 59 ? 6.871 28.118 -50.956 1.00 55.49 ? 126 PRO A CB 1 ATOM 355 C CG . PRO A 1 59 ? 5.900 27.141 -50.356 1.00 55.69 ? 126 PRO A CG 1 ATOM 356 C CD . PRO A 1 59 ? 4.527 27.682 -50.657 1.00 53.12 ? 126 PRO A CD 1 ATOM 357 N N . GLY A 1 60 ? 5.668 30.297 -53.005 1.00 50.91 ? 127 GLY A N 1 ATOM 358 C CA . GLY A 1 60 ? 5.798 31.136 -54.202 1.00 51.86 ? 127 GLY A CA 1 ATOM 359 C C . GLY A 1 60 ? 5.087 32.481 -54.180 1.00 53.82 ? 127 GLY A C 1 ATOM 360 O O . GLY A 1 60 ? 5.600 33.429 -54.718 1.00 55.84 ? 127 GLY A O 1 ATOM 361 N N . LYS A 1 61 ? 3.902 32.579 -53.561 1.00 57.91 ? 128 LYS A N 1 ATOM 362 C CA . LYS A 1 61 ? 3.258 33.871 -53.408 1.00 52.68 ? 128 LYS A CA 1 ATOM 363 C C . LYS A 1 61 ? 2.156 34.016 -52.354 1.00 48.54 ? 128 LYS A C 1 ATOM 364 O O . LYS A 1 61 ? 1.662 33.059 -51.784 1.00 47.35 ? 128 LYS A O 1 ATOM 365 C CB . LYS A 1 61 ? 2.743 34.324 -54.756 1.00 59.54 ? 128 LYS A CB 1 ATOM 366 C CG . LYS A 1 61 ? 1.470 33.692 -55.209 1.00 66.48 ? 128 LYS A CG 1 ATOM 367 C CD . LYS A 1 61 ? 1.324 33.811 -56.726 1.00 81.18 ? 128 LYS A CD 1 ATOM 368 C CE . LYS A 1 61 ? 2.034 35.020 -57.324 1.00 81.60 ? 128 LYS A CE 1 ATOM 369 N NZ . LYS A 1 61 ? 2.040 34.899 -58.799 1.00 82.89 ? 128 LYS A NZ 1 ATOM 370 N N . CYS A 1 62 ? 1.788 35.265 -52.124 1.00 40.17 ? 129 CYS A N 1 ATOM 371 C CA . CYS A 1 62 ? 0.805 35.632 -51.165 1.00 40.17 ? 129 CYS A CA 1 ATOM 372 C C . CYS A 1 62 ? -0.546 35.863 -51.749 1.00 41.01 ? 129 CYS A C 1 ATOM 373 O O . CYS A 1 62 ? -0.683 36.410 -52.844 1.00 36.00 ? 129 CYS A O 1 ATOM 374 C CB . CYS A 1 62 ? 1.226 36.905 -50.442 1.00 47.92 ? 129 CYS A CB 1 ATOM 375 S SG . CYS A 1 62 ? 2.662 36.675 -49.389 1.00 57.20 ? 129 CYS A SG 1 ATOM 376 N N . TYR A 1 63 ? -1.563 35.518 -50.962 1.00 36.10 ? 130 TYR A N 1 ATOM 377 C CA . TYR A 1 63 ? -2.948 35.725 -51.374 1.00 35.92 ? 130 TYR A CA 1 ATOM 378 C C . TYR A 1 63 ? -3.744 36.435 -50.328 1.00 36.34 ? 130 TYR A C 1 ATOM 379 O O . TYR A 1 63 ? -3.473 36.284 -49.132 1.00 36.53 ? 130 TYR A O 1 ATOM 380 C CB . TYR A 1 63 ? -3.596 34.363 -51.650 1.00 40.26 ? 130 TYR A CB 1 ATOM 381 C CG . TYR A 1 63 ? -2.995 33.603 -52.818 1.00 38.06 ? 130 TYR A CG 1 ATOM 382 C CD1 . TYR A 1 63 ? -1.808 32.925 -52.665 1.00 40.56 ? 130 TYR A CD1 1 ATOM 383 C CD2 . TYR A 1 63 ? -3.593 33.653 -54.113 1.00 37.38 ? 130 TYR A CD2 1 ATOM 384 C CE1 . TYR A 1 63 ? -1.225 32.248 -53.737 1.00 43.83 ? 130 TYR A CE1 1 ATOM 385 C CE2 . TYR A 1 63 ? -3.021 32.995 -55.206 1.00 37.29 ? 130 TYR A CE2 1 ATOM 386 C CZ . TYR A 1 63 ? -1.850 32.296 -55.009 1.00 44.16 ? 130 TYR A CZ 1 ATOM 387 O OH . TYR A 1 63 ? -1.277 31.613 -56.032 1.00 51.47 ? 130 TYR A OH 1 ATOM 388 N N . GLN A 1 64 ? -4.727 37.210 -50.771 1.00 34.52 ? 131 GLN A N 1 ATOM 389 C CA . GLN A 1 64 ? -5.741 37.710 -49.865 1.00 35.35 ? 131 GLN A CA 1 ATOM 390 C C . GLN A 1 64 ? -7.021 36.915 -49.998 1.00 35.47 ? 131 GLN A C 1 ATOM 391 O O . GLN A 1 64 ? -7.385 36.487 -51.096 1.00 38.04 ? 131 GLN A O 1 ATOM 392 C CB . GLN A 1 64 ? -6.011 39.194 -50.054 1.00 39.56 ? 131 GLN A CB 1 ATOM 393 C CG . GLN A 1 64 ? -6.393 39.644 -51.460 1.00 43.35 ? 131 GLN A CG 1 ATOM 394 C CD . GLN A 1 64 ? -6.416 41.156 -51.638 1.00 45.92 ? 131 GLN A CD 1 ATOM 395 O OE1 . GLN A 1 64 ? -5.380 41.793 -51.750 1.00 47.39 ? 131 GLN A OE1 1 ATOM 396 N NE2 . GLN A 1 64 ? -7.605 41.737 -51.640 1.00 55.91 ? 131 GLN A NE2 1 ATOM 397 N N . PHE A 1 65 ? -7.688 36.721 -48.860 1.00 36.45 ? 132 PHE A N 1 ATOM 398 C CA . PHE A 1 65 ? -8.901 35.949 -48.793 1.00 35.60 ? 132 PHE A CA 1 ATOM 399 C C . PHE A 1 65 ? -9.957 36.770 -48.103 1.00 36.34 ? 132 PHE A C 1 ATOM 400 O O . PHE A 1 65 ? -9.666 37.658 -47.333 1.00 38.51 ? 132 PHE A O 1 ATOM 401 C CB . PHE A 1 65 ? -8.730 34.709 -47.930 1.00 36.46 ? 132 PHE A CB 1 ATOM 402 C CG . PHE A 1 65 ? -7.772 33.715 -48.438 1.00 35.91 ? 132 PHE A CG 1 ATOM 403 C CD1 . PHE A 1 65 ? -6.414 33.856 -48.200 1.00 39.25 ? 132 PHE A CD1 1 ATOM 404 C CD2 . PHE A 1 65 ? -8.205 32.633 -49.161 1.00 36.63 ? 132 PHE A CD2 1 ATOM 405 C CE1 . PHE A 1 65 ? -5.496 32.919 -48.701 1.00 37.97 ? 132 PHE A CE1 1 ATOM 406 C CE2 . PHE A 1 65 ? -7.308 31.695 -49.652 1.00 36.27 ? 132 PHE A CE2 1 ATOM 407 C CZ . PHE A 1 65 ? -5.971 31.824 -49.410 1.00 35.87 ? 132 PHE A CZ 1 ATOM 408 N N . ALA A 1 66 ? -11.202 36.453 -48.387 1.00 38.72 ? 133 ALA A N 1 ATOM 409 C CA . ALA A 1 66 ? -12.296 37.044 -47.643 1.00 40.14 ? 133 ALA A CA 1 ATOM 410 C C . ALA A 1 66 ? -13.608 36.320 -47.893 1.00 37.45 ? 133 ALA A C 1 ATOM 411 O O . ALA A 1 66 ? -13.734 35.575 -48.856 1.00 33.38 ? 133 ALA A O 1 ATOM 412 C CB . ALA A 1 66 ? -12.483 38.488 -48.009 1.00 39.20 ? 133 ALA A CB 1 ATOM 413 N N . LEU A 1 67 ? -14.580 36.576 -47.040 1.00 31.58 ? 134 LEU A N 1 ATOM 414 C CA . LEU A 1 67 ? -15.886 35.955 -47.227 1.00 32.05 ? 134 LEU A CA 1 ATOM 415 C C . LEU A 1 67 ? -16.749 36.911 -47.980 1.00 33.83 ? 134 LEU A C 1 ATOM 416 O O . LEU A 1 67 ? -17.138 37.957 -47.465 1.00 31.69 ? 134 LEU A O 1 ATOM 417 C CB . LEU A 1 67 ? -16.535 35.604 -45.888 1.00 34.88 ? 134 LEU A CB 1 ATOM 418 C CG . LEU A 1 67 ? -15.750 34.646 -44.959 1.00 32.59 ? 134 LEU A CG 1 ATOM 419 C CD1 . LEU A 1 67 ? -16.432 34.433 -43.632 1.00 35.22 ? 134 LEU A CD1 1 ATOM 420 C CD2 . LEU A 1 67 ? -15.561 33.321 -45.613 1.00 34.12 ? 134 LEU A CD2 1 ATOM 421 N N . GLY A 1 68 ? -17.040 36.565 -49.233 1.00 34.45 ? 135 GLY A N 1 ATOM 422 C CA . GLY A 1 68 ? -17.952 37.370 -50.025 1.00 33.93 ? 135 GLY A CA 1 ATOM 423 C C . GLY A 1 68 ? -19.357 37.258 -49.484 1.00 34.09 ? 135 GLY A C 1 ATOM 424 O O . GLY A 1 68 ? -19.680 36.357 -48.717 1.00 37.34 ? 135 GLY A O 1 ATOM 425 N N . GLN A 1 69 ? -20.187 38.201 -49.906 1.00 37.67 ? 136 GLN A N 1 ATOM 426 C CA . GLN A 1 69 ? -21.602 38.232 -49.621 1.00 34.88 ? 136 GLN A CA 1 ATOM 427 C C . GLN A 1 69 ? -22.425 37.959 -50.853 1.00 37.07 ? 136 GLN A C 1 ATOM 428 O O . GLN A 1 69 ? -23.620 38.223 -50.887 1.00 33.79 ? 136 GLN A O 1 ATOM 429 C CB . GLN A 1 69 ? -21.970 39.585 -49.058 1.00 36.71 ? 136 GLN A CB 1 ATOM 430 C CG . GLN A 1 69 ? -21.366 39.786 -47.676 1.00 41.92 ? 136 GLN A CG 1 ATOM 431 C CD . GLN A 1 69 ? -22.219 39.126 -46.603 1.00 42.25 ? 136 GLN A CD 1 ATOM 432 O OE1 . GLN A 1 69 ? -23.063 38.279 -46.888 1.00 44.19 ? 136 GLN A OE1 1 ATOM 433 N NE2 . GLN A 1 69 ? -21.975 39.486 -45.369 1.00 43.77 ? 136 GLN A NE2 1 ATOM 434 N N . GLY A 1 70 ? -21.804 37.341 -51.860 1.00 38.41 ? 137 GLY A N 1 ATOM 435 C CA . GLY A 1 70 ? -22.540 36.910 -53.058 1.00 34.51 ? 137 GLY A CA 1 ATOM 436 C C . GLY A 1 70 ? -23.060 38.044 -53.890 1.00 32.62 ? 137 GLY A C 1 ATOM 437 O O . GLY A 1 70 ? -24.043 37.912 -54.611 1.00 40.83 ? 137 GLY A O 1 ATOM 438 N N . THR A 1 71 ? -22.378 39.147 -53.842 1.00 33.03 ? 138 THR A N 1 ATOM 439 C CA . THR A 1 71 ? -22.804 40.361 -54.529 1.00 34.72 ? 138 THR A CA 1 ATOM 440 C C . THR A 1 71 ? -21.676 41.339 -54.623 1.00 34.25 ? 138 THR A C 1 ATOM 441 O O . THR A 1 71 ? -20.742 41.303 -53.804 1.00 34.26 ? 138 THR A O 1 ATOM 442 C CB . THR A 1 71 ? -23.992 41.056 -53.794 1.00 36.21 ? 138 THR A CB 1 ATOM 443 O OG1 . THR A 1 71 ? -24.407 42.220 -54.512 1.00 36.19 ? 138 THR A OG1 1 ATOM 444 C CG2 . THR A 1 71 ? -23.613 41.426 -52.351 1.00 36.39 ? 138 THR A CG2 1 ATOM 445 N N . THR A 1 72 ? -21.797 42.231 -55.601 1.00 37.49 ? 139 THR A N 1 ATOM 446 C CA . THR A 1 72 ? -20.965 43.404 -55.668 1.00 36.93 ? 139 THR A CA 1 ATOM 447 C C . THR A 1 72 ? -21.619 44.526 -54.870 1.00 38.74 ? 139 THR A C 1 ATOM 448 O O . THR A 1 72 ? -22.714 44.416 -54.382 1.00 39.23 ? 139 THR A O 1 ATOM 449 C CB . THR A 1 72 ? -20.723 43.848 -57.126 1.00 40.41 ? 139 THR A CB 1 ATOM 450 O OG1 . THR A 1 72 ? -21.944 43.864 -57.861 1.00 45.18 ? 139 THR A OG1 1 ATOM 451 C CG2 . THR A 1 72 ? -19.767 42.882 -57.768 1.00 43.68 ? 139 THR A CG2 1 ATOM 452 N N . LEU A 1 73 ? -20.914 45.614 -54.714 1.00 37.82 ? 140 LEU A N 1 ATOM 453 C CA . LEU A 1 73 ? -21.362 46.663 -53.808 1.00 36.61 ? 140 LEU A CA 1 ATOM 454 C C . LEU A 1 73 ? -22.338 47.567 -54.479 1.00 37.68 ? 140 LEU A C 1 ATOM 455 O O . LEU A 1 73 ? -23.346 47.930 -53.875 1.00 41.07 ? 140 LEU A O 1 ATOM 456 C CB . LEU A 1 73 ? -20.128 47.400 -53.341 1.00 30.34 ? 140 LEU A CB 1 ATOM 457 C CG . LEU A 1 73 ? -20.036 48.726 -52.603 1.00 31.73 ? 140 LEU A CG 1 ATOM 458 C CD1 . LEU A 1 73 ? -21.194 49.692 -52.671 1.00 34.26 ? 140 LEU A CD1 1 ATOM 459 C CD2 . LEU A 1 73 ? -19.563 48.596 -51.167 1.00 32.73 ? 140 LEU A CD2 1 ATOM 460 N N . ASN A 1 74 ? -22.078 47.908 -55.729 1.00 34.02 ? 141 ASN A N 1 ATOM 461 C CA . ASN A 1 74 ? -23.045 48.723 -56.488 1.00 37.46 ? 141 ASN A CA 1 ATOM 462 C C . ASN A 1 74 ? -24.074 47.830 -57.179 1.00 41.87 ? 141 ASN A C 1 ATOM 463 O O . ASN A 1 74 ? -23.962 47.526 -58.375 1.00 46.96 ? 141 ASN A O 1 ATOM 464 C CB . ASN A 1 74 ? -22.307 49.574 -57.504 1.00 32.43 ? 141 ASN A CB 1 ATOM 465 C CG . ASN A 1 74 ? -23.208 50.616 -58.152 1.00 36.15 ? 141 ASN A CG 1 ATOM 466 O OD1 . ASN A 1 74 ? -24.305 50.921 -57.684 1.00 32.63 ? 141 ASN A OD1 1 ATOM 467 N ND2 . ASN A 1 74 ? -22.766 51.144 -59.252 1.00 33.47 ? 141 ASN A ND2 1 ATOM 468 N N . ASN A 1 75 ? -25.013 47.356 -56.357 1.00 37.37 ? 142 ASN A N 1 ATOM 469 C CA . ASN A 1 75 ? -25.860 46.235 -56.641 1.00 38.89 ? 142 ASN A CA 1 ATOM 470 C C . ASN A 1 75 ? -26.882 46.224 -55.505 1.00 41.56 ? 142 ASN A C 1 ATOM 471 O O . ASN A 1 75 ? -26.518 46.302 -54.323 1.00 43.99 ? 142 ASN A O 1 ATOM 472 C CB . ASN A 1 75 ? -24.998 44.939 -56.573 1.00 41.81 ? 142 ASN A CB 1 ATOM 473 C CG . ASN A 1 75 ? -25.734 43.692 -57.051 1.00 40.10 ? 142 ASN A CG 1 ATOM 474 O OD1 . ASN A 1 75 ? -26.879 43.495 -56.736 1.00 44.30 ? 142 ASN A OD1 1 ATOM 475 N ND2 . ASN A 1 75 ? -25.024 42.797 -57.743 1.00 42.77 ? 142 ASN A ND2 1 ATOM 476 N N . LYS A 1 76 ? -28.142 46.120 -55.839 1.00 39.44 ? 143 LYS A N 1 ATOM 477 C CA . LYS A 1 76 ? -29.179 46.109 -54.804 1.00 43.54 ? 143 LYS A CA 1 ATOM 478 C C . LYS A 1 76 ? -29.059 44.974 -53.807 1.00 41.52 ? 143 LYS A C 1 ATOM 479 O O . LYS A 1 76 ? -29.551 45.103 -52.694 1.00 40.48 ? 143 LYS A O 1 ATOM 480 C CB . LYS A 1 76 ? -30.570 46.158 -55.402 1.00 44.65 ? 143 LYS A CB 1 ATOM 481 C CG . LYS A 1 76 ? -30.839 47.527 -55.974 1.00 49.85 ? 143 LYS A CG 1 ATOM 482 C CD . LYS A 1 76 ? -32.094 47.580 -56.791 1.00 59.08 ? 143 LYS A CD 1 ATOM 483 C CE . LYS A 1 76 ? -32.186 48.975 -57.390 1.00 67.98 ? 143 LYS A CE 1 ATOM 484 N NZ . LYS A 1 76 ? -33.380 49.092 -58.260 1.00 77.96 ? 143 LYS A NZ 1 ATOM 485 N N . HIS A 1 77 ? -28.396 43.882 -54.180 1.00 36.98 ? 144 HIS A N 1 ATOM 486 C CA . HIS A 1 77 ? -28.236 42.784 -53.225 1.00 37.72 ? 144 HIS A CA 1 ATOM 487 C C . HIS A 1 77 ? -27.222 43.110 -52.145 1.00 40.04 ? 144 HIS A C 1 ATOM 488 O O . HIS A 1 77 ? -27.095 42.332 -51.215 1.00 39.96 ? 144 HIS A O 1 ATOM 489 C CB . HIS A 1 77 ? -27.776 41.488 -53.880 1.00 38.25 ? 144 HIS A CB 1 ATOM 490 C CG . HIS A 1 77 ? -28.730 40.943 -54.868 1.00 38.08 ? 144 HIS A CG 1 ATOM 491 N ND1 . HIS A 1 77 ? -28.700 41.302 -56.189 1.00 38.88 ? 144 HIS A ND1 1 ATOM 492 C CD2 . HIS A 1 77 ? -29.730 40.047 -54.743 1.00 37.82 ? 144 HIS A CD2 1 ATOM 493 C CE1 . HIS A 1 77 ? -29.656 40.675 -56.837 1.00 41.92 ? 144 HIS A CE1 1 ATOM 494 N NE2 . HIS A 1 77 ? -30.297 39.908 -55.981 1.00 39.12 ? 144 HIS A NE2 1 ATOM 495 N N . SER A 1 78 ? -26.525 44.244 -52.241 1.00 37.80 ? 145 SER A N 1 ATOM 496 C CA . SER A 1 78 ? -25.649 44.626 -51.128 1.00 40.73 ? 145 SER A CA 1 ATOM 497 C C . SER A 1 78 ? -26.442 45.067 -49.856 1.00 39.09 ? 145 SER A C 1 ATOM 498 O O . SER A 1 78 ? -25.855 45.215 -48.794 1.00 39.38 ? 145 SER A O 1 ATOM 499 C CB . SER A 1 78 ? -24.689 45.740 -51.561 1.00 34.53 ? 145 SER A CB 1 ATOM 500 O OG . SER A 1 78 ? -25.366 46.946 -51.728 1.00 35.98 ? 145 SER A OG 1 ATOM 501 N N . ASN A 1 79 ? -27.724 45.378 -50.013 1.00 39.47 ? 146 ASN A N 1 ATOM 502 C CA . ASN A 1 79 ? -28.571 45.817 -48.907 1.00 45.86 ? 146 ASN A CA 1 ATOM 503 C C . ASN A 1 79 ? -28.645 44.718 -47.853 1.00 46.97 ? 146 ASN A C 1 ATOM 504 O O . ASN A 1 79 ? -28.961 43.589 -48.170 1.00 45.08 ? 146 ASN A O 1 ATOM 505 C CB . ASN A 1 79 ? -29.978 46.112 -49.423 1.00 51.99 ? 146 ASN A CB 1 ATOM 506 C CG . ASN A 1 79 ? -30.856 46.875 -48.429 1.00 56.55 ? 146 ASN A CG 1 ATOM 507 O OD1 . ASN A 1 79 ? -30.610 46.910 -47.234 1.00 60.09 ? 146 ASN A OD1 1 ATOM 508 N ND2 . ASN A 1 79 ? -31.904 47.503 -48.949 1.00 70.25 ? 146 ASN A ND2 1 ATOM 509 N N . GLY A 1 80 ? -28.326 45.026 -46.600 1.00 45.99 ? 147 GLY A N 1 ATOM 510 C CA . GLY A 1 80 ? -28.501 44.010 -45.540 1.00 45.57 ? 147 GLY A CA 1 ATOM 511 C C . GLY A 1 80 ? -27.299 43.116 -45.316 1.00 45.74 ? 147 GLY A C 1 ATOM 512 O O . GLY A 1 80 ? -27.379 42.156 -44.595 1.00 45.88 ? 147 GLY A O 1 ATOM 513 N N . THR A 1 81 ? -26.168 43.449 -45.930 1.00 43.17 ? 148 THR A N 1 ATOM 514 C CA . THR A 1 81 ? -24.969 42.658 -45.789 1.00 43.38 ? 148 THR A CA 1 ATOM 515 C C . THR A 1 81 ? -24.264 42.730 -44.425 1.00 44.82 ? 148 THR A C 1 ATOM 516 O O . THR A 1 81 ? -23.216 42.095 -44.221 1.00 42.79 ? 148 THR A O 1 ATOM 517 C CB . THR A 1 81 ? -24.000 42.931 -46.950 1.00 43.89 ? 148 THR A CB 1 ATOM 518 O OG1 . THR A 1 81 ? -23.901 44.335 -47.183 1.00 40.26 ? 148 THR A OG1 1 ATOM 519 C CG2 . THR A 1 81 ? -24.584 42.278 -48.208 1.00 48.36 ? 148 THR A CG2 1 ATOM 520 N N . ILE A 1 82 ? -24.863 43.413 -43.466 1.00 47.58 ? 149 ILE A N 1 ATOM 521 C CA . ILE A 1 82 ? -24.439 43.269 -42.063 1.00 45.67 ? 149 ILE A CA 1 ATOM 522 C C . ILE A 1 82 ? -24.634 41.860 -41.500 1.00 45.70 ? 149 ILE A C 1 ATOM 523 O O . ILE A 1 82 ? -23.830 41.411 -40.687 1.00 43.68 ? 149 ILE A O 1 ATOM 524 C CB . ILE A 1 82 ? -25.134 44.296 -41.129 1.00 50.93 ? 149 ILE A CB 1 ATOM 525 C CG1 . ILE A 1 82 ? -24.430 44.302 -39.756 1.00 51.57 ? 149 ILE A CG1 1 ATOM 526 C CG2 . ILE A 1 82 ? -26.638 44.008 -41.005 1.00 47.82 ? 149 ILE A CG2 1 ATOM 527 C CD1 . ILE A 1 82 ? -24.832 45.475 -38.898 1.00 51.67 ? 149 ILE A CD1 1 ATOM 528 N N . HIS A 1 83 ? -25.673 41.148 -41.949 1.00 47.22 ? 150 HIS A N 1 ATOM 529 C CA . HIS A 1 83 ? -25.870 39.742 -41.543 1.00 50.19 ? 150 HIS A CA 1 ATOM 530 C C . HIS A 1 83 ? -24.686 38.848 -41.902 1.00 50.72 ? 150 HIS A C 1 ATOM 531 O O . HIS A 1 83 ? -24.144 38.909 -43.011 1.00 56.01 ? 150 HIS A O 1 ATOM 532 C CB . HIS A 1 83 ? -27.208 39.172 -42.065 1.00 55.57 ? 150 HIS A CB 1 ATOM 533 C CG . HIS A 1 83 ? -28.396 39.972 -41.591 1.00 84.85 ? 150 HIS A CG 1 ATOM 534 N ND1 . HIS A 1 83 ? -28.673 40.168 -40.248 1.00 99.44 ? 150 HIS A ND1 1 ATOM 535 C CD2 . HIS A 1 83 ? -29.315 40.706 -42.271 1.00 91.20 ? 150 HIS A CD2 1 ATOM 536 C CE1 . HIS A 1 83 ? -29.724 40.960 -40.127 1.00 99.06 ? 150 HIS A CE1 1 ATOM 537 N NE2 . HIS A 1 83 ? -30.129 41.302 -41.338 1.00 102.31 ? 150 HIS A NE2 1 ATOM 538 N N . ASP A 1 84 ? -24.270 38.021 -40.946 1.00 47.04 ? 151 ASP A N 1 ATOM 539 C CA . ASP A 1 84 ? -23.064 37.188 -41.083 1.00 45.75 ? 151 ASP A CA 1 ATOM 540 C C . ASP A 1 84 ? -23.223 35.872 -41.841 1.00 42.27 ? 151 ASP A C 1 ATOM 541 O O . ASP A 1 84 ? -22.267 35.365 -42.411 1.00 39.37 ? 151 ASP A O 1 ATOM 542 C CB . ASP A 1 84 ? -22.521 36.814 -39.687 1.00 55.86 ? 151 ASP A CB 1 ATOM 543 C CG . ASP A 1 84 ? -22.170 38.026 -38.810 1.00 59.27 ? 151 ASP A CG 1 ATOM 544 O OD1 . ASP A 1 84 ? -21.595 39.017 -39.306 1.00 55.67 ? 151 ASP A OD1 1 ATOM 545 O OD2 . ASP A 1 84 ? -22.466 37.957 -37.591 1.00 71.73 ? 151 ASP A OD2 1 ATOM 546 N N . ARG A 1 85 ? -24.406 35.277 -41.817 1.00 39.94 ? 152 ARG A N 1 ATOM 547 C CA . ARG A 1 85 ? -24.538 33.902 -42.294 1.00 41.60 ? 152 ARG A CA 1 ATOM 548 C C . ARG A 1 85 ? -25.670 33.723 -43.272 1.00 40.97 ? 152 ARG A C 1 ATOM 549 O O . ARG A 1 85 ? -26.785 33.673 -42.882 1.00 44.29 ? 152 ARG A O 1 ATOM 550 C CB . ARG A 1 85 ? -24.649 32.934 -41.141 1.00 40.00 ? 152 ARG A CB 1 ATOM 551 C CG . ARG A 1 85 ? -23.379 32.946 -40.288 1.00 39.55 ? 152 ARG A CG 1 ATOM 552 C CD . ARG A 1 85 ? -23.387 31.949 -39.122 1.00 40.26 ? 152 ARG A CD 1 ATOM 553 N NE . ARG A 1 85 ? -24.595 32.139 -38.325 1.00 41.38 ? 152 ARG A NE 1 ATOM 554 C CZ . ARG A 1 85 ? -24.764 33.085 -37.419 1.00 41.52 ? 152 ARG A CZ 1 ATOM 555 N NH1 . ARG A 1 85 ? -23.802 33.938 -37.137 1.00 42.37 ? 152 ARG A NH1 1 ATOM 556 N NH2 . ARG A 1 85 ? -25.911 33.158 -36.788 1.00 46.39 ? 152 ARG A NH2 1 ATOM 557 N N . ILE A 1 86 ? -25.339 33.720 -44.561 1.00 42.14 ? 153 ILE A N 1 ATOM 558 C CA . ILE A 1 86 ? -26.285 33.408 -45.621 1.00 39.56 ? 153 ILE A CA 1 ATOM 559 C C . ILE A 1 86 ? -25.665 32.380 -46.533 1.00 38.40 ? 153 ILE A C 1 ATOM 560 O O . ILE A 1 86 ? -24.439 32.163 -46.542 1.00 39.56 ? 153 ILE A O 1 ATOM 561 C CB . ILE A 1 86 ? -26.703 34.649 -46.444 1.00 45.91 ? 153 ILE A CB 1 ATOM 562 C CG1 . ILE A 1 86 ? -25.496 35.323 -47.122 1.00 45.08 ? 153 ILE A CG1 1 ATOM 563 C CG2 . ILE A 1 86 ? -27.468 35.662 -45.572 1.00 41.48 ? 153 ILE A CG2 1 ATOM 564 C CD1 . ILE A 1 86 ? -25.892 36.381 -48.154 1.00 45.86 ? 153 ILE A CD1 1 ATOM 565 N N . PRO A 1 87 ? -26.509 31.658 -47.243 1.00 40.70 ? 154 PRO A N 1 ATOM 566 C CA . PRO A 1 87 ? -25.976 30.551 -48.045 1.00 39.41 ? 154 PRO A CA 1 ATOM 567 C C . PRO A 1 87 ? -25.130 31.005 -49.222 1.00 35.54 ? 154 PRO A C 1 ATOM 568 O O . PRO A 1 87 ? -24.402 30.190 -49.801 1.00 36.29 ? 154 PRO A O 1 ATOM 569 C CB . PRO A 1 87 ? -27.249 29.833 -48.543 1.00 42.65 ? 154 PRO A CB 1 ATOM 570 C CG . PRO A 1 87 ? -28.386 30.378 -47.740 1.00 42.28 ? 154 PRO A CG 1 ATOM 571 C CD . PRO A 1 87 ? -27.983 31.721 -47.265 1.00 41.27 ? 154 PRO A CD 1 ATOM 572 N N . HIS A 1 88 ? -25.232 32.276 -49.579 1.00 32.26 ? 155 HIS A N 1 ATOM 573 C CA . HIS A 1 88 ? -24.477 32.804 -50.710 1.00 36.35 ? 155 HIS A CA 1 ATOM 574 C C . HIS A 1 88 ? -23.060 33.230 -50.412 1.00 34.60 ? 155 HIS A C 1 ATOM 575 O O . HIS A 1 88 ? -22.348 33.600 -51.331 1.00 33.63 ? 155 HIS A O 1 ATOM 576 C CB . HIS A 1 88 ? -25.283 33.891 -51.393 1.00 36.20 ? 155 HIS A CB 1 ATOM 577 C CG . HIS A 1 88 ? -26.714 33.516 -51.466 1.00 42.27 ? 155 HIS A CG 1 ATOM 578 N ND1 . HIS A 1 88 ? -27.119 32.378 -52.129 1.00 44.88 ? 155 HIS A ND1 1 ATOM 579 C CD2 . HIS A 1 88 ? -27.807 34.006 -50.832 1.00 42.29 ? 155 HIS A CD2 1 ATOM 580 C CE1 . HIS A 1 88 ? -28.408 32.196 -51.916 1.00 47.18 ? 155 HIS A CE1 1 ATOM 581 N NE2 . HIS A 1 88 ? -28.847 33.174 -51.143 1.00 43.17 ? 155 HIS A NE2 1 ATOM 582 N N . ARG A 1 89 ? -22.642 33.176 -49.148 1.00 33.40 ? 156 ARG A N 1 ATOM 583 C CA . ARG A 1 89 ? -21.263 33.534 -48.817 1.00 32.46 ? 156 ARG A CA 1 ATOM 584 C C . ARG A 1 89 ? -20.304 32.450 -49.352 1.00 31.09 ? 156 ARG A C 1 ATOM 585 O O . ARG A 1 89 ? -20.488 31.269 -49.091 1.00 29.74 ? 156 ARG A O 1 ATOM 586 C CB . ARG A 1 89 ? -21.071 33.735 -47.314 1.00 34.30 ? 156 ARG A CB 1 ATOM 587 C CG . ARG A 1 89 ? -21.944 34.853 -46.784 1.00 39.23 ? 156 ARG A CG 1 ATOM 588 C CD . ARG A 1 89 ? -21.408 35.503 -45.522 1.00 37.29 ? 156 ARG A CD 1 ATOM 589 N NE . ARG A 1 89 ? -20.309 36.422 -45.782 1.00 42.59 ? 156 ARG A NE 1 ATOM 590 C CZ . ARG A 1 89 ? -19.704 37.128 -44.807 1.00 45.07 ? 156 ARG A CZ 1 ATOM 591 N NH1 . ARG A 1 89 ? -20.143 37.038 -43.572 1.00 39.86 ? 156 ARG A NH1 1 ATOM 592 N NH2 . ARG A 1 89 ? -18.704 37.964 -45.079 1.00 39.05 ? 156 ARG A NH2 1 ATOM 593 N N . THR A 1 90 ? -19.262 32.900 -50.021 1.00 29.73 ? 157 THR A N 1 ATOM 594 C CA . THR A 1 90 ? -18.212 32.052 -50.540 1.00 35.53 ? 157 THR A CA 1 ATOM 595 C C . THR A 1 90 ? -16.861 32.622 -50.166 1.00 34.28 ? 157 THR A C 1 ATOM 596 O O . THR A 1 90 ? -16.695 33.807 -49.965 1.00 35.21 ? 157 THR A O 1 ATOM 597 C CB . THR A 1 90 ? -18.263 31.943 -52.089 1.00 35.72 ? 157 THR A CB 1 ATOM 598 O OG1 . THR A 1 90 ? -18.230 33.235 -52.702 1.00 35.99 ? 157 THR A OG1 1 ATOM 599 C CG2 . THR A 1 90 ? -19.545 31.250 -52.494 1.00 36.95 ? 157 THR A CG2 1 ATOM 600 N N . LEU A 1 91 ? -15.886 31.754 -50.067 1.00 32.54 ? 158 LEU A N 1 ATOM 601 C CA . LEU A 1 91 ? -14.526 32.182 -49.810 1.00 33.09 ? 158 LEU A CA 1 ATOM 602 C C . LEU A 1 91 ? -13.861 32.673 -51.108 1.00 29.33 ? 158 LEU A C 1 ATOM 603 O O . LEU A 1 91 ? -13.658 31.896 -52.039 1.00 32.29 ? 158 LEU A O 1 ATOM 604 C CB . LEU A 1 91 ? -13.732 31.012 -49.208 1.00 33.01 ? 158 LEU A CB 1 ATOM 605 C CG . LEU A 1 91 ? -12.268 31.318 -48.926 1.00 33.77 ? 158 LEU A CG 1 ATOM 606 C CD1 . LEU A 1 91 ? -12.072 32.490 -48.010 1.00 34.94 ? 158 LEU A CD1 1 ATOM 607 C CD2 . LEU A 1 91 ? -11.596 30.076 -48.336 1.00 34.80 ? 158 LEU A CD2 1 ATOM 608 N N . LEU A 1 92 ? -13.520 33.951 -51.131 1.00 29.88 ? 159 LEU A N 1 ATOM 609 C CA . LEU A 1 92 ? -12.774 34.587 -52.212 1.00 35.37 ? 159 LEU A CA 1 ATOM 610 C C . LEU A 1 92 ? -11.257 34.510 -52.027 1.00 37.42 ? 159 LEU A C 1 ATOM 611 O O . LEU A 1 92 ? -10.768 34.669 -50.912 1.00 36.45 ? 159 LEU A O 1 ATOM 612 C CB . LEU A 1 92 ? -13.125 36.036 -52.306 1.00 37.36 ? 159 LEU A CB 1 ATOM 613 C CG . LEU A 1 92 ? -14.642 36.348 -52.426 1.00 42.73 ? 159 LEU A CG 1 ATOM 614 C CD1 . LEU A 1 92 ? -14.912 37.848 -52.397 1.00 39.04 ? 159 LEU A CD1 1 ATOM 615 C CD2 . LEU A 1 92 ? -15.266 35.768 -53.681 1.00 42.92 ? 159 LEU A CD2 1 ATOM 616 N N . MET A 1 93 ? -10.551 34.270 -53.121 1.00 34.11 ? 160 MET A N 1 ATOM 617 C CA . MET A 1 93 ? -9.114 34.133 -53.099 1.00 36.00 ? 160 MET A CA 1 ATOM 618 C C . MET A 1 93 ? -8.518 34.860 -54.284 1.00 36.63 ? 160 MET A C 1 ATOM 619 O O . MET A 1 93 ? -8.842 34.613 -55.403 1.00 40.57 ? 160 MET A O 1 ATOM 620 C CB . MET A 1 93 ? -8.709 32.675 -53.176 1.00 35.89 ? 160 MET A CB 1 ATOM 621 C CG . MET A 1 93 ? -7.218 32.362 -53.173 1.00 35.60 ? 160 MET A CG 1 ATOM 622 S SD . MET A 1 93 ? -6.897 30.575 -53.221 1.00 39.44 ? 160 MET A SD 1 ATOM 623 C CE . MET A 1 93 ? -5.099 30.538 -53.070 1.00 41.22 ? 160 MET A CE 1 ATOM 624 N N . SER A 1 94 ? -7.589 35.749 -54.015 1.00 38.76 ? 161 SER A N 1 ATOM 625 C CA . SER A 1 94 ? -6.959 36.540 -55.067 1.00 37.08 ? 161 SER A CA 1 ATOM 626 C C . SER A 1 94 ? -5.522 36.826 -54.654 1.00 38.22 ? 161 SER A C 1 ATOM 627 O O . SER A 1 94 ? -5.201 36.831 -53.481 1.00 43.90 ? 161 SER A O 1 ATOM 628 C CB . SER A 1 94 ? -7.807 37.797 -55.200 1.00 42.52 ? 161 SER A CB 1 ATOM 629 O OG . SER A 1 94 ? -7.152 38.914 -55.611 1.00 43.52 ? 161 SER A OG 1 ATOM 630 N N . GLU A 1 95 ? -4.652 37.002 -55.612 1.00 34.59 ? 162 GLU A N 1 ATOM 631 C CA . GLU A 1 95 ? -3.295 37.306 -55.295 1.00 38.57 ? 162 GLU A CA 1 ATOM 632 C C . GLU A 1 95 ? -3.327 38.573 -54.503 1.00 36.60 ? 162 GLU A C 1 ATOM 633 O O . GLU A 1 95 ? -4.133 39.471 -54.800 1.00 33.36 ? 162 GLU A O 1 ATOM 634 C CB . GLU A 1 95 ? -2.453 37.553 -56.545 1.00 41.03 ? 162 GLU A CB 1 ATOM 635 C CG . GLU A 1 95 ? -2.325 36.336 -57.435 1.00 45.93 ? 162 GLU A CG 1 ATOM 636 C CD . GLU A 1 95 ? -1.296 36.500 -58.585 1.00 54.75 ? 162 GLU A CD 1 ATOM 637 O OE1 . GLU A 1 95 ? -0.485 37.444 -58.602 1.00 58.74 ? 162 GLU A OE1 1 ATOM 638 O OE2 . GLU A 1 95 ? -1.251 35.600 -59.439 1.00 73.29 ? 162 GLU A OE2 1 ATOM 639 N N . LEU A 1 96 ? -2.422 38.676 -53.523 1.00 33.73 ? 163 LEU A N 1 ATOM 640 C CA . LEU A 1 96 ? -2.358 39.859 -52.674 1.00 34.74 ? 163 LEU A CA 1 ATOM 641 C C . LEU A 1 96 ? -2.155 41.115 -53.512 1.00 35.25 ? 163 LEU A C 1 ATOM 642 O O . LEU A 1 96 ? -1.241 41.175 -54.316 1.00 40.36 ? 163 LEU A O 1 ATOM 643 C CB . LEU A 1 96 ? -1.219 39.729 -51.670 1.00 37.94 ? 163 LEU A CB 1 ATOM 644 C CG . LEU A 1 96 ? -1.149 40.795 -50.577 1.00 36.94 ? 163 LEU A CG 1 ATOM 645 C CD1 . LEU A 1 96 ? -2.359 40.800 -49.654 1.00 34.16 ? 163 LEU A CD1 1 ATOM 646 C CD2 . LEU A 1 96 ? 0.117 40.615 -49.747 1.00 36.32 ? 163 LEU A CD2 1 ATOM 647 N N . GLY A 1 97 ? -3.027 42.098 -53.314 1.00 34.87 ? 164 GLY A N 1 ATOM 648 C CA . GLY A 1 97 ? -2.988 43.346 -54.038 1.00 35.28 ? 164 GLY A CA 1 ATOM 649 C C . GLY A 1 97 ? -3.921 43.391 -55.260 1.00 37.08 ? 164 GLY A C 1 ATOM 650 O O . GLY A 1 97 ? -4.127 44.484 -55.851 1.00 32.25 ? 164 GLY A O 1 ATOM 651 N N . VAL A 1 98 ? -4.435 42.243 -55.682 1.00 35.22 ? 165 VAL A N 1 ATOM 652 C CA . VAL A 1 98 ? -5.405 42.257 -56.781 1.00 36.00 ? 165 VAL A CA 1 ATOM 653 C C . VAL A 1 98 ? -6.735 42.373 -56.081 1.00 38.44 ? 165 VAL A C 1 ATOM 654 O O . VAL A 1 98 ? -7.107 41.489 -55.318 1.00 39.24 ? 165 VAL A O 1 ATOM 655 C CB . VAL A 1 98 ? -5.340 41.007 -57.650 1.00 36.19 ? 165 VAL A CB 1 ATOM 656 C CG1 . VAL A 1 98 ? -6.492 40.992 -58.659 1.00 36.84 ? 165 VAL A CG1 1 ATOM 657 C CG2 . VAL A 1 98 ? -3.994 40.938 -58.403 1.00 39.18 ? 165 VAL A CG2 1 ATOM 658 N N . PRO A 1 99 ? -7.474 43.461 -56.338 1.00 41.83 ? 166 PRO A N 1 ATOM 659 C CA . PRO A 1 99 ? -8.774 43.596 -55.625 1.00 41.93 ? 166 PRO A CA 1 ATOM 660 C C . PRO A 1 99 ? -9.795 42.503 -56.009 1.00 42.40 ? 166 PRO A C 1 ATOM 661 O O . PRO A 1 99 ? -9.610 41.789 -57.011 1.00 38.03 ? 166 PRO A O 1 ATOM 662 C CB . PRO A 1 99 ? -9.299 44.972 -56.040 1.00 41.93 ? 166 PRO A CB 1 ATOM 663 C CG . PRO A 1 99 ? -8.349 45.513 -57.064 1.00 45.76 ? 166 PRO A CG 1 ATOM 664 C CD . PRO A 1 99 ? -7.200 44.556 -57.280 1.00 42.77 ? 166 PRO A CD 1 ATOM 665 N N . PHE A 1 100 ? -10.843 42.384 -55.207 1.00 37.05 ? 167 PHE A N 1 ATOM 666 C CA . PHE A 1 100 ? -11.805 41.357 -55.403 1.00 33.64 ? 167 PHE A CA 1 ATOM 667 C C . PHE A 1 100 ? -12.791 41.848 -56.485 1.00 34.60 ? 167 PHE A C 1 ATOM 668 O O . PHE A 1 100 ? -13.860 42.345 -56.177 1.00 37.25 ? 167 PHE A O 1 ATOM 669 C CB . PHE A 1 100 ? -12.513 41.028 -54.107 1.00 33.06 ? 167 PHE A CB 1 ATOM 670 C CG . PHE A 1 100 ? -11.655 40.385 -53.063 1.00 34.84 ? 167 PHE A CG 1 ATOM 671 C CD1 . PHE A 1 100 ? -11.024 39.162 -53.304 1.00 35.47 ? 167 PHE A CD1 1 ATOM 672 C CD2 . PHE A 1 100 ? -11.530 40.976 -51.783 1.00 31.03 ? 167 PHE A CD2 1 ATOM 673 C CE1 . PHE A 1 100 ? -10.289 38.534 -52.293 1.00 35.70 ? 167 PHE A CE1 1 ATOM 674 C CE2 . PHE A 1 100 ? -10.764 40.384 -50.790 1.00 32.44 ? 167 PHE A CE2 1 ATOM 675 C CZ . PHE A 1 100 ? -10.181 39.124 -51.039 1.00 38.28 ? 167 PHE A CZ 1 ATOM 676 N N . HIS A 1 101 ? -12.394 41.722 -57.742 1.00 36.09 ? 168 HIS A N 1 ATOM 677 C CA . HIS A 1 101 ? -13.228 42.098 -58.886 1.00 35.94 ? 168 HIS A CA 1 ATOM 678 C C . HIS A 1 101 ? -14.013 40.851 -59.412 1.00 40.67 ? 168 HIS A C 1 ATOM 679 O O . HIS A 1 101 ? -13.895 39.752 -58.846 1.00 45.25 ? 168 HIS A O 1 ATOM 680 C CB . HIS A 1 101 ? -12.344 42.713 -59.962 1.00 36.60 ? 168 HIS A CB 1 ATOM 681 C CG . HIS A 1 101 ? -11.290 41.786 -60.472 1.00 38.63 ? 168 HIS A CG 1 ATOM 682 N ND1 . HIS A 1 101 ? -11.500 40.948 -61.520 1.00 45.27 ? 168 HIS A ND1 1 ATOM 683 C CD2 . HIS A 1 101 ? -10.024 41.558 -60.073 1.00 41.50 ? 168 HIS A CD2 1 ATOM 684 C CE1 . HIS A 1 101 ? -10.434 40.197 -61.716 1.00 44.78 ? 168 HIS A CE1 1 ATOM 685 N NE2 . HIS A 1 101 ? -9.525 40.548 -60.844 1.00 37.71 ? 168 HIS A NE2 1 ATOM 686 N N . LEU A 1 102 ? -14.766 40.997 -60.502 1.00 40.48 ? 169 LEU A N 1 ATOM 687 C CA . LEU A 1 102 ? -15.565 39.904 -61.047 1.00 41.16 ? 169 LEU A CA 1 ATOM 688 C C . LEU A 1 102 ? -14.845 38.671 -61.596 1.00 41.92 ? 169 LEU A C 1 ATOM 689 O O . LEU A 1 102 ? -15.457 37.624 -61.707 1.00 43.93 ? 169 LEU A O 1 ATOM 690 C CB . LEU A 1 102 ? -16.526 40.380 -62.141 1.00 45.24 ? 169 LEU A CB 1 ATOM 691 C CG . LEU A 1 102 ? -17.732 41.176 -61.639 1.00 45.95 ? 169 LEU A CG 1 ATOM 692 C CD1 . LEU A 1 102 ? -18.534 41.689 -62.829 1.00 51.85 ? 169 LEU A CD1 1 ATOM 693 C CD2 . LEU A 1 102 ? -18.617 40.357 -60.709 1.00 44.36 ? 169 LEU A CD2 1 ATOM 694 N N . GLY A 1 103 ? -13.563 38.750 -61.889 1.00 39.61 ? 170 GLY A N 1 ATOM 695 C CA . GLY A 1 103 ? -12.784 37.534 -62.213 1.00 37.55 ? 170 GLY A CA 1 ATOM 696 C C . GLY A 1 103 ? -12.221 36.782 -61.014 1.00 41.95 ? 170 GLY A C 1 ATOM 697 O O . GLY A 1 103 ? -11.508 35.806 -61.183 1.00 42.79 ? 170 GLY A O 1 ATOM 698 N N . THR A 1 104 ? -12.556 37.195 -59.791 1.00 40.18 ? 171 THR A N 1 ATOM 699 C CA . THR A 1 104 ? -12.071 36.546 -58.592 1.00 35.73 ? 171 THR A CA 1 ATOM 700 C C . THR A 1 104 ? -12.657 35.151 -58.452 1.00 37.33 ? 171 THR A C 1 ATOM 701 O O . THR A 1 104 ? -13.869 34.917 -58.644 1.00 37.22 ? 171 THR A O 1 ATOM 702 C CB . THR A 1 104 ? -12.447 37.337 -57.329 1.00 36.56 ? 171 THR A CB 1 ATOM 703 O OG1 . THR A 1 104 ? -11.892 38.641 -57.421 1.00 38.10 ? 171 THR A OG1 1 ATOM 704 C CG2 . THR A 1 104 ? -11.917 36.688 -56.084 1.00 39.24 ? 171 THR A CG2 1 ATOM 705 N N . LYS A 1 105 ? -11.785 34.223 -58.073 1.00 34.68 ? 172 LYS A N 1 ATOM 706 C CA . LYS A 1 105 ? -12.172 32.860 -57.832 1.00 38.05 ? 172 LYS A CA 1 ATOM 707 C C . LYS A 1 105 ? -12.900 32.685 -56.469 1.00 38.34 ? 172 LYS A C 1 ATOM 708 O O . LYS A 1 105 ? -12.400 33.091 -55.411 1.00 37.72 ? 172 LYS A O 1 ATOM 709 C CB . LYS A 1 105 ? -10.957 31.934 -57.893 1.00 38.01 ? 172 LYS A CB 1 ATOM 710 C CG . LYS A 1 105 ? -11.338 30.465 -57.724 1.00 47.94 ? 172 LYS A CG 1 ATOM 711 C CD . LYS A 1 105 ? -10.162 29.573 -58.058 1.00 53.27 ? 172 LYS A CD 1 ATOM 712 C CE . LYS A 1 105 ? -10.595 28.117 -58.112 1.00 69.97 ? 172 LYS A CE 1 ATOM 713 N NZ . LYS A 1 105 ? -10.047 27.503 -59.354 1.00 80.52 ? 172 LYS A NZ 1 ATOM 714 N N . GLN A 1 106 ? -14.062 32.039 -56.526 1.00 36.13 ? 173 GLN A N 1 ATOM 715 C CA . GLN A 1 106 ? -14.752 31.577 -55.323 1.00 35.42 ? 173 GLN A CA 1 ATOM 716 C C . GLN A 1 106 ? -14.341 30.137 -55.092 1.00 34.51 ? 173 GLN A C 1 ATOM 717 O O . GLN A 1 106 ? -14.749 29.219 -55.776 1.00 33.52 ? 173 GLN A O 1 ATOM 718 C CB . GLN A 1 106 ? -16.262 31.661 -55.474 1.00 34.06 ? 173 GLN A CB 1 ATOM 719 C CG . GLN A 1 106 ? -16.735 33.072 -55.778 1.00 37.08 ? 173 GLN A CG 1 ATOM 720 C CD . GLN A 1 106 ? -18.186 33.117 -56.182 1.00 40.25 ? 173 GLN A CD 1 ATOM 721 O OE1 . GLN A 1 106 ? -19.075 33.143 -55.315 1.00 37.87 ? 173 GLN A OE1 1 ATOM 722 N NE2 . GLN A 1 106 ? -18.442 33.090 -57.480 1.00 39.39 ? 173 GLN A NE2 1 ATOM 723 N N . VAL A 1 107 ? -13.611 29.942 -54.036 1.00 34.78 ? 174 VAL A N 1 ATOM 724 C CA . VAL A 1 107 ? -12.890 28.693 -53.811 1.00 34.70 ? 174 VAL A CA 1 ATOM 725 C C . VAL A 1 107 ? -13.757 27.647 -53.129 1.00 35.78 ? 174 VAL A C 1 ATOM 726 O O . VAL A 1 107 ? -13.488 26.468 -53.261 1.00 37.69 ? 174 VAL A O 1 ATOM 727 C CB . VAL A 1 107 ? -11.619 29.087 -53.021 1.00 40.92 ? 174 VAL A CB 1 ATOM 728 C CG1 . VAL A 1 107 ? -11.300 28.176 -51.911 1.00 49.80 ? 174 VAL A CG1 1 ATOM 729 C CG2 . VAL A 1 107 ? -10.440 29.198 -53.978 1.00 46.57 ? 174 VAL A CG2 1 ATOM 730 N N . CYS A 1 108 ? -14.794 28.049 -52.394 1.00 34.02 ? 175 CYS A N 1 ATOM 731 C CA . CYS A 1 108 ? -15.700 27.099 -51.736 1.00 35.20 ? 175 CYS A CA 1 ATOM 732 C C . CYS A 1 108 ? -16.852 27.909 -51.125 1.00 35.16 ? 175 CYS A C 1 ATOM 733 O O . CYS A 1 108 ? -16.820 29.138 -51.135 1.00 35.05 ? 175 CYS A O 1 ATOM 734 C CB . CYS A 1 108 ? -14.962 26.320 -50.646 1.00 42.48 ? 175 CYS A CB 1 ATOM 735 S SG . CYS A 1 108 ? -14.414 27.442 -49.374 1.00 50.41 ? 175 CYS A SG 1 ATOM 736 N N . ILE A 1 109 ? -17.847 27.247 -50.598 1.00 34.29 ? 176 ILE A N 1 ATOM 737 C CA . ILE A 1 109 ? -18.998 27.919 -50.005 1.00 37.12 ? 176 ILE A CA 1 ATOM 738 C C . ILE A 1 109 ? -18.680 28.080 -48.518 1.00 38.19 ? 176 ILE A C 1 ATOM 739 O O . ILE A 1 109 ? -18.342 27.107 -47.889 1.00 42.12 ? 176 ILE A O 1 ATOM 740 C CB . ILE A 1 109 ? -20.250 27.060 -50.167 1.00 36.20 ? 176 ILE A CB 1 ATOM 741 C CG1 . ILE A 1 109 ? -20.402 26.666 -51.655 1.00 37.95 ? 176 ILE A CG1 1 ATOM 742 C CG2 . ILE A 1 109 ? -21.481 27.807 -49.690 1.00 36.50 ? 176 ILE A CG2 1 ATOM 743 C CD1 . ILE A 1 109 ? -21.548 25.717 -51.931 1.00 38.40 ? 176 ILE A CD1 1 ATOM 744 N N . ALA A 1 110 ? -18.813 29.285 -47.954 1.00 36.46 ? 177 ALA A N 1 ATOM 745 C CA . ALA A 1 110 ? -18.375 29.497 -46.578 1.00 37.26 ? 177 ALA A CA 1 ATOM 746 C C . ALA A 1 110 ? -18.890 30.767 -45.964 1.00 39.61 ? 177 ALA A C 1 ATOM 747 O O . ALA A 1 110 ? -18.798 31.833 -46.573 1.00 40.98 ? 177 ALA A O 1 ATOM 748 C CB . ALA A 1 110 ? -16.872 29.513 -46.485 1.00 35.81 ? 177 ALA A CB 1 ATOM 749 N N . TRP A 1 111 ? -19.440 30.640 -44.759 1.00 35.86 ? 178 TRP A N 1 ATOM 750 C CA . TRP A 1 111 ? -19.618 31.811 -43.915 1.00 35.55 ? 178 TRP A CA 1 ATOM 751 C C . TRP A 1 111 ? -18.653 31.826 -42.723 1.00 35.76 ? 178 TRP A C 1 ATOM 752 O O . TRP A 1 111 ? -18.769 32.655 -41.887 1.00 37.34 ? 178 TRP A O 1 ATOM 753 C CB . TRP A 1 111 ? -21.080 32.033 -43.483 1.00 33.48 ? 178 TRP A CB 1 ATOM 754 C CG . TRP A 1 111 ? -21.886 30.886 -43.009 1.00 35.65 ? 178 TRP A CG 1 ATOM 755 C CD1 . TRP A 1 111 ? -22.974 30.372 -43.610 1.00 35.38 ? 178 TRP A CD1 1 ATOM 756 C CD2 . TRP A 1 111 ? -21.711 30.135 -41.770 1.00 35.45 ? 178 TRP A CD2 1 ATOM 757 N NE1 . TRP A 1 111 ? -23.481 29.328 -42.839 1.00 35.25 ? 178 TRP A NE1 1 ATOM 758 C CE2 . TRP A 1 111 ? -22.731 29.187 -41.708 1.00 35.37 ? 178 TRP A CE2 1 ATOM 759 C CE3 . TRP A 1 111 ? -20.798 30.201 -40.726 1.00 34.14 ? 178 TRP A CE3 1 ATOM 760 C CZ2 . TRP A 1 111 ? -22.900 28.333 -40.631 1.00 37.28 ? 178 TRP A CZ2 1 ATOM 761 C CZ3 . TRP A 1 111 ? -20.959 29.330 -39.644 1.00 35.24 ? 178 TRP A CZ3 1 ATOM 762 C CH2 . TRP A 1 111 ? -21.994 28.406 -39.616 1.00 35.97 ? 178 TRP A CH2 1 ATOM 763 N N . SER A 1 112 ? -17.722 30.888 -42.672 1.00 32.28 ? 179 SER A N 1 ATOM 764 C CA . SER A 1 112 ? -16.594 30.963 -41.763 1.00 35.08 ? 179 SER A CA 1 ATOM 765 C C . SER A 1 112 ? -15.492 30.151 -42.437 1.00 33.50 ? 179 SER A C 1 ATOM 766 O O . SER A 1 112 ? -15.800 29.143 -43.074 1.00 35.80 ? 179 SER A O 1 ATOM 767 C CB . SER A 1 112 ? -16.958 30.376 -40.376 1.00 37.00 ? 179 SER A CB 1 ATOM 768 O OG . SER A 1 112 ? -15.835 30.383 -39.486 1.00 36.53 ? 179 SER A OG 1 ATOM 769 N N . SER A 1 113 ? -14.231 30.535 -42.300 1.00 32.03 ? 180 SER A N 1 ATOM 770 C CA . SER A 1 113 ? -13.149 29.805 -43.005 1.00 33.16 ? 180 SER A CA 1 ATOM 771 C C . SER A 1 113 ? -11.781 29.981 -42.414 1.00 34.14 ? 180 SER A C 1 ATOM 772 O O . SER A 1 113 ? -11.549 30.865 -41.590 1.00 33.27 ? 180 SER A O 1 ATOM 773 C CB . SER A 1 113 ? -13.066 30.224 -44.483 1.00 33.58 ? 180 SER A CB 1 ATOM 774 O OG . SER A 1 113 ? -12.424 31.470 -44.612 1.00 36.20 ? 180 SER A OG 1 ATOM 775 N N . SER A 1 114 ? -10.888 29.113 -42.874 1.00 33.78 ? 181 SER A N 1 ATOM 776 C CA . SER A 1 114 ? -9.450 29.207 -42.647 1.00 37.88 ? 181 SER A CA 1 ATOM 777 C C . SER A 1 114 ? -8.718 28.574 -43.859 1.00 34.87 ? 181 SER A C 1 ATOM 778 O O . SER A 1 114 ? -9.233 27.686 -44.465 1.00 36.14 ? 181 SER A O 1 ATOM 779 C CB . SER A 1 114 ? -9.086 28.513 -41.324 1.00 44.35 ? 181 SER A CB 1 ATOM 780 O OG . SER A 1 114 ? -7.676 28.444 -41.090 1.00 35.66 ? 181 SER A OG 1 ATOM 781 N N . SER A 1 115 ? -7.530 29.051 -44.217 1.00 35.46 ? 182 SER A N 1 ATOM 782 C CA . SER A 1 115 ? -6.757 28.466 -45.345 1.00 35.05 ? 182 SER A CA 1 ATOM 783 C C . SER A 1 115 ? -5.298 28.407 -45.024 1.00 37.08 ? 182 SER A C 1 ATOM 784 O O . SER A 1 115 ? -4.812 29.203 -44.226 1.00 38.28 ? 182 SER A O 1 ATOM 785 C CB . SER A 1 115 ? -6.936 29.277 -46.614 1.00 36.69 ? 182 SER A CB 1 ATOM 786 O OG . SER A 1 115 ? -8.313 29.393 -46.990 1.00 36.20 ? 182 SER A OG 1 ATOM 787 N N . CYS A 1 116 ? -4.591 27.450 -45.594 1.00 33.86 ? 183 CYS A N 1 ATOM 788 C CA . CYS A 1 116 ? -3.154 27.431 -45.430 1.00 38.26 ? 183 CYS A CA 1 ATOM 789 C C . CYS A 1 116 ? -2.551 26.526 -46.496 1.00 38.57 ? 183 CYS A C 1 ATOM 790 O O . CYS A 1 116 ? -3.238 25.703 -47.072 1.00 40.15 ? 183 CYS A O 1 ATOM 791 C CB . CYS A 1 116 ? -2.726 26.961 -44.014 1.00 40.47 ? 183 CYS A CB 1 ATOM 792 S SG . CYS A 1 116 ? -3.615 25.483 -43.450 1.00 47.28 ? 183 CYS A SG 1 ATOM 793 N N . HIS A 1 117 ? -1.265 26.714 -46.744 1.00 35.69 ? 184 HIS A N 1 ATOM 794 C CA . HIS A 1 117 ? -0.539 25.960 -47.758 1.00 35.99 ? 184 HIS A CA 1 ATOM 795 C C . HIS A 1 117 ? 0.509 25.133 -46.992 1.00 37.73 ? 184 HIS A C 1 ATOM 796 O O . HIS A 1 117 ? 1.210 25.678 -46.147 1.00 33.02 ? 184 HIS A O 1 ATOM 797 C CB . HIS A 1 117 ? 0.123 26.926 -48.693 1.00 36.54 ? 184 HIS A CB 1 ATOM 798 C CG . HIS A 1 117 ? 0.577 26.330 -49.954 1.00 38.89 ? 184 HIS A CG 1 ATOM 799 N ND1 . HIS A 1 117 ? 1.746 25.629 -50.055 1.00 43.55 ? 184 HIS A ND1 1 ATOM 800 C CD2 . HIS A 1 117 ? 0.028 26.338 -51.194 1.00 40.56 ? 184 HIS A CD2 1 ATOM 801 C CE1 . HIS A 1 117 ? 1.890 25.189 -51.294 1.00 41.80 ? 184 HIS A CE1 1 ATOM 802 N NE2 . HIS A 1 117 ? 0.870 25.621 -52.005 1.00 39.23 ? 184 HIS A NE2 1 ATOM 803 N N . ASP A 1 118 ? 0.596 23.835 -47.293 1.00 37.27 ? 185 ASP A N 1 ATOM 804 C CA . ASP A 1 118 ? 1.491 22.918 -46.591 1.00 37.93 ? 185 ASP A CA 1 ATOM 805 C C . ASP A 1 118 ? 2.859 22.747 -47.292 1.00 41.51 ? 185 ASP A C 1 ATOM 806 O O . ASP A 1 118 ? 3.669 21.908 -46.913 1.00 40.14 ? 185 ASP A O 1 ATOM 807 C CB . ASP A 1 118 ? 0.825 21.548 -46.413 1.00 42.57 ? 185 ASP A CB 1 ATOM 808 C CG . ASP A 1 118 ? 0.616 20.790 -47.738 1.00 43.43 ? 185 ASP A CG 1 ATOM 809 O OD1 . ASP A 1 118 ? 1.075 21.283 -48.798 1.00 39.34 ? 185 ASP A OD1 1 ATOM 810 O OD2 . ASP A 1 118 ? 0.049 19.687 -47.671 1.00 38.48 ? 185 ASP A OD2 1 ATOM 811 N N . GLY A 1 119 ? 3.107 23.582 -48.293 1.00 41.98 ? 186 GLY A N 1 ATOM 812 C CA . GLY A 1 119 ? 4.289 23.464 -49.147 1.00 46.28 ? 186 GLY A CA 1 ATOM 813 C C . GLY A 1 119 ? 4.028 22.806 -50.504 1.00 44.13 ? 186 GLY A C 1 ATOM 814 O O . GLY A 1 119 ? 4.795 23.009 -51.440 1.00 42.14 ? 186 GLY A O 1 ATOM 815 N N . LYS A 1 120 ? 2.986 21.980 -50.593 1.00 41.58 ? 187 LYS A N 1 ATOM 816 C CA . LYS A 1 120 ? 2.580 21.364 -51.866 1.00 44.62 ? 187 LYS A CA 1 ATOM 817 C C . LYS A 1 120 ? 1.293 21.880 -52.436 1.00 41.97 ? 187 LYS A C 1 ATOM 818 O O . LYS A 1 120 ? 1.125 21.939 -53.641 1.00 43.45 ? 187 LYS A O 1 ATOM 819 C CB . LYS A 1 120 ? 2.377 19.851 -51.683 1.00 54.15 ? 187 LYS A CB 1 ATOM 820 C CG . LYS A 1 120 ? 3.653 19.137 -51.273 1.00 61.40 ? 187 LYS A CG 1 ATOM 821 C CD . LYS A 1 120 ? 3.560 17.618 -51.353 1.00 66.57 ? 187 LYS A CD 1 ATOM 822 C CE . LYS A 1 120 ? 4.977 17.055 -51.259 1.00 77.27 ? 187 LYS A CE 1 ATOM 823 N NZ . LYS A 1 120 ? 5.083 15.985 -50.248 1.00 79.54 ? 187 LYS A NZ 1 ATOM 824 N N . ALA A 1 121 ? 0.325 22.144 -51.563 1.00 43.88 ? 188 ALA A N 1 ATOM 825 C CA . ALA A 1 121 ? -1.003 22.526 -51.983 1.00 38.86 ? 188 ALA A CA 1 ATOM 826 C C . ALA A 1 121 ? -1.760 23.305 -50.921 1.00 38.57 ? 188 ALA A C 1 ATOM 827 O O . ALA A 1 121 ? -1.376 23.351 -49.758 1.00 43.89 ? 188 ALA A O 1 ATOM 828 C CB . ALA A 1 121 ? -1.787 21.305 -52.393 1.00 42.90 ? 188 ALA A CB 1 ATOM 829 N N . TRP A 1 122 ? -2.829 23.931 -51.371 1.00 37.65 ? 189 TRP A N 1 ATOM 830 C CA . TRP A 1 122 ? -3.723 24.704 -50.538 1.00 39.54 ? 189 TRP A CA 1 ATOM 831 C C . TRP A 1 122 ? -4.745 23.807 -49.847 1.00 35.26 ? 189 TRP A C 1 ATOM 832 O O . TRP A 1 122 ? -5.317 22.957 -50.457 1.00 35.37 ? 189 TRP A O 1 ATOM 833 C CB . TRP A 1 122 ? -4.485 25.768 -51.387 1.00 39.84 ? 189 TRP A CB 1 ATOM 834 C CG . TRP A 1 122 ? -3.677 26.966 -51.667 1.00 38.01 ? 189 TRP A CG 1 ATOM 835 C CD1 . TRP A 1 122 ? -3.046 27.277 -52.839 1.00 33.45 ? 189 TRP A CD1 1 ATOM 836 C CD2 . TRP A 1 122 ? -3.314 27.979 -50.709 1.00 33.43 ? 189 TRP A CD2 1 ATOM 837 N NE1 . TRP A 1 122 ? -2.293 28.419 -52.652 1.00 35.90 ? 189 TRP A NE1 1 ATOM 838 C CE2 . TRP A 1 122 ? -2.432 28.846 -51.349 1.00 34.68 ? 189 TRP A CE2 1 ATOM 839 C CE3 . TRP A 1 122 ? -3.632 28.198 -49.352 1.00 38.05 ? 189 TRP A CE3 1 ATOM 840 C CZ2 . TRP A 1 122 ? -1.906 29.957 -50.721 1.00 37.71 ? 189 TRP A CZ2 1 ATOM 841 C CZ3 . TRP A 1 122 ? -3.081 29.296 -48.707 1.00 37.80 ? 189 TRP A CZ3 1 ATOM 842 C CH2 . TRP A 1 122 ? -2.259 30.189 -49.405 1.00 37.00 ? 189 TRP A CH2 1 ATOM 843 N N . LEU A 1 123 ? -4.926 24.046 -48.570 1.00 34.36 ? 190 LEU A N 1 ATOM 844 C CA . LEU A 1 123 ? -6.053 23.561 -47.807 1.00 35.78 ? 190 LEU A CA 1 ATOM 845 C C . LEU A 1 123 ? -6.972 24.717 -47.490 1.00 34.98 ? 190 LEU A C 1 ATOM 846 O O . LEU A 1 123 ? -6.536 25.779 -47.090 1.00 38.87 ? 190 LEU A O 1 ATOM 847 C CB . LEU A 1 123 ? -5.581 22.987 -46.480 1.00 37.19 ? 190 LEU A CB 1 ATOM 848 C CG . LEU A 1 123 ? -6.678 22.536 -45.525 1.00 40.54 ? 190 LEU A CG 1 ATOM 849 C CD1 . LEU A 1 123 ? -7.404 21.280 -46.043 1.00 40.30 ? 190 LEU A CD1 1 ATOM 850 C CD2 . LEU A 1 123 ? -6.084 22.254 -44.133 1.00 42.69 ? 190 LEU A CD2 1 ATOM 851 N N . HIS A 1 124 ? -8.262 24.503 -47.669 1.00 36.71 ? 191 HIS A N 1 ATOM 852 C CA . HIS A 1 124 ? -9.301 25.427 -47.211 1.00 34.40 ? 191 HIS A CA 1 ATOM 853 C C . HIS A 1 124 ? -10.294 24.693 -46.333 1.00 34.97 ? 191 HIS A C 1 ATOM 854 O O . HIS A 1 124 ? -10.734 23.586 -46.648 1.00 33.62 ? 191 HIS A O 1 ATOM 855 C CB . HIS A 1 124 ? -10.106 25.997 -48.381 1.00 32.73 ? 191 HIS A CB 1 ATOM 856 C CG . HIS A 1 124 ? -9.272 26.598 -49.425 1.00 36.72 ? 191 HIS A CG 1 ATOM 857 N ND1 . HIS A 1 124 ? -8.565 27.772 -49.231 1.00 39.89 ? 191 HIS A ND1 1 ATOM 858 C CD2 . HIS A 1 124 ? -8.982 26.182 -50.668 1.00 35.08 ? 191 HIS A CD2 1 ATOM 859 C CE1 . HIS A 1 124 ? -7.869 28.037 -50.320 1.00 33.33 ? 191 HIS A CE1 1 ATOM 860 N NE2 . HIS A 1 124 ? -8.079 27.079 -51.183 1.00 36.09 ? 191 HIS A NE2 1 ATOM 861 N N . VAL A 1 125 ? -10.680 25.353 -45.277 1.00 37.18 ? 192 VAL A N 1 ATOM 862 C CA . VAL A 1 125 ? -11.709 24.893 -44.367 1.00 36.03 ? 192 VAL A CA 1 ATOM 863 C C . VAL A 1 125 ? -12.859 25.850 -44.480 1.00 36.23 ? 192 VAL A C 1 ATOM 864 O O . VAL A 1 125 ? -12.733 27.035 -44.137 1.00 39.02 ? 192 VAL A O 1 ATOM 865 C CB . VAL A 1 125 ? -11.198 24.916 -42.915 1.00 34.19 ? 192 VAL A CB 1 ATOM 866 C CG1 . VAL A 1 125 ? -12.277 24.424 -41.946 1.00 39.12 ? 192 VAL A CG1 1 ATOM 867 C CG2 . VAL A 1 125 ? -9.959 24.069 -42.762 1.00 35.55 ? 192 VAL A CG2 1 ATOM 868 N N . CYS A 1 126 ? -14.002 25.326 -44.849 1.00 36.83 ? 193 CYS A N 1 ATOM 869 C CA . CYS A 1 126 ? -15.139 26.132 -45.276 1.00 37.79 ? 193 CYS A CA 1 ATOM 870 C C . CYS A 1 126 ? -16.412 25.659 -44.571 1.00 36.74 ? 193 CYS A C 1 ATOM 871 O O . CYS A 1 126 ? -16.823 24.539 -44.751 1.00 36.74 ? 193 CYS A O 1 ATOM 872 C CB . CYS A 1 126 ? -15.299 26.000 -46.776 1.00 41.02 ? 193 CYS A CB 1 ATOM 873 S SG . CYS A 1 126 ? -13.824 26.441 -47.735 1.00 50.20 ? 193 CYS A SG 1 ATOM 874 N N . VAL A 1 127 ? -16.989 26.496 -43.742 1.00 34.06 ? 194 VAL A N 1 ATOM 875 C CA . VAL A 1 127 ? -18.191 26.144 -42.994 1.00 34.28 ? 194 VAL A CA 1 ATOM 876 C C . VAL A 1 127 ? -19.372 26.904 -43.571 1.00 34.22 ? 194 VAL A C 1 ATOM 877 O O . VAL A 1 127 ? -19.283 28.139 -43.782 1.00 34.27 ? 194 VAL A O 1 ATOM 878 C CB . VAL A 1 127 ? -18.074 26.557 -41.530 1.00 35.56 ? 194 VAL A CB 1 ATOM 879 C CG1 . VAL A 1 127 ? -19.217 25.994 -40.719 1.00 36.26 ? 194 VAL A CG1 1 ATOM 880 C CG2 . VAL A 1 127 ? -16.747 26.069 -40.970 1.00 36.39 ? 194 VAL A CG2 1 ATOM 881 N N . THR A 1 128 ? -20.455 26.181 -43.834 1.00 34.83 ? 195 THR A N 1 ATOM 882 C CA . THR A 1 128 ? -21.705 26.757 -44.361 1.00 34.39 ? 195 THR A CA 1 ATOM 883 C C . THR A 1 128 ? -22.895 25.907 -43.879 1.00 38.84 ? 195 THR A C 1 ATOM 884 O O . THR A 1 128 ? -22.700 24.854 -43.250 1.00 37.03 ? 195 THR A O 1 ATOM 885 C CB . THR A 1 128 ? -21.674 26.878 -45.908 1.00 35.63 ? 195 THR A CB 1 ATOM 886 O OG1 . THR A 1 128 ? -22.859 27.569 -46.396 1.00 35.33 ? 195 THR A OG1 1 ATOM 887 C CG2 . THR A 1 128 ? -21.606 25.576 -46.557 1.00 32.89 ? 195 THR A CG2 1 ATOM 888 N N . GLY A 1 129 ? -24.107 26.360 -44.180 1.00 35.55 ? 196 GLY A N 1 ATOM 889 C CA . GLY A 1 129 ? -25.327 25.662 -43.831 1.00 35.36 ? 196 GLY A CA 1 ATOM 890 C C . GLY A 1 129 ? -26.073 26.258 -42.665 1.00 35.42 ? 196 GLY A C 1 ATOM 891 O O . GLY A 1 129 ? -25.843 27.414 -42.296 1.00 36.11 ? 196 GLY A O 1 ATOM 892 N N . ASP A 1 130 ? -27.033 25.496 -42.138 1.00 35.78 ? 197 ASP A N 1 ATOM 893 C CA . ASP A 1 130 ? -27.902 25.934 -41.009 1.00 35.89 ? 197 ASP A CA 1 ATOM 894 C C . ASP A 1 130 ? -27.070 26.222 -39.761 1.00 41.58 ? 197 ASP A C 1 ATOM 895 O O . ASP A 1 130 ? -26.097 25.546 -39.495 1.00 38.10 ? 197 ASP A O 1 ATOM 896 C CB . ASP A 1 130 ? -28.885 24.841 -40.614 1.00 43.26 ? 197 ASP A CB 1 ATOM 897 C CG . ASP A 1 130 ? -29.936 24.506 -41.708 1.00 46.99 ? 197 ASP A CG 1 ATOM 898 O OD1 . ASP A 1 130 ? -30.248 25.373 -42.533 1.00 46.53 ? 197 ASP A OD1 1 ATOM 899 O OD2 . ASP A 1 130 ? -30.388 23.328 -41.744 1.00 50.01 ? 197 ASP A OD2 1 ATOM 900 N N . ASP A 1 131 ? -27.439 27.258 -39.036 1.00 44.31 ? 198 ASP A N 1 ATOM 901 C CA . ASP A 1 131 ? -26.803 27.620 -37.774 1.00 46.91 ? 198 ASP A CA 1 ATOM 902 C C . ASP A 1 131 ? -26.647 26.446 -36.791 1.00 50.18 ? 198 ASP A C 1 ATOM 903 O O . ASP A 1 131 ? -25.575 26.240 -36.188 1.00 49.79 ? 198 ASP A O 1 ATOM 904 C CB . ASP A 1 131 ? -27.634 28.710 -37.077 1.00 48.86 ? 198 ASP A CB 1 ATOM 905 C CG . ASP A 1 131 ? -27.331 30.124 -37.573 1.00 48.54 ? 198 ASP A CG 1 ATOM 906 O OD1 . ASP A 1 131 ? -27.801 31.075 -36.904 1.00 53.98 ? 198 ASP A OD1 1 ATOM 907 O OD2 . ASP A 1 131 ? -26.637 30.309 -38.604 1.00 52.80 ? 198 ASP A OD2 1 ATOM 908 N N . ARG A 1 132 ? -27.708 25.671 -36.657 1.00 45.65 ? 199 ARG A N 1 ATOM 909 C CA . ARG A 1 132 ? -27.693 24.561 -35.719 1.00 53.15 ? 199 ARG A CA 1 ATOM 910 C C . ARG A 1 132 ? -27.192 23.261 -36.285 1.00 49.15 ? 199 ARG A C 1 ATOM 911 O O . ARG A 1 132 ? -27.225 22.261 -35.594 1.00 46.15 ? 199 ARG A O 1 ATOM 912 C CB . ARG A 1 132 ? -29.094 24.315 -35.139 1.00 57.69 ? 199 ARG A CB 1 ATOM 913 C CG . ARG A 1 132 ? -29.726 25.533 -34.458 1.00 76.18 ? 199 ARG A CG 1 ATOM 914 C CD . ARG A 1 132 ? -28.830 26.177 -33.393 1.00 84.61 ? 199 ARG A CD 1 ATOM 915 N NE . ARG A 1 132 ? -29.519 27.176 -32.557 1.00 100.22 ? 199 ARG A NE 1 ATOM 916 C CZ . ARG A 1 132 ? -30.482 26.903 -31.664 1.00 107.50 ? 199 ARG A CZ 1 ATOM 917 N NH1 . ARG A 1 132 ? -30.932 25.660 -31.470 1.00 105.85 ? 199 ARG A NH1 1 ATOM 918 N NH2 . ARG A 1 132 ? -31.015 27.894 -30.959 1.00 107.99 ? 199 ARG A NH2 1 ATOM 919 N N . ASN A 1 133 ? -26.774 23.236 -37.549 1.00 47.37 ? 200 ASN A N 1 ATOM 920 C CA . ASN A 1 133 ? -26.372 21.978 -38.151 1.00 39.01 ? 200 ASN A CA 1 ATOM 921 C C . ASN A 1 133 ? -25.507 22.230 -39.365 1.00 38.55 ? 200 ASN A C 1 ATOM 922 O O . ASN A 1 133 ? -25.785 21.734 -40.479 1.00 37.35 ? 200 ASN A O 1 ATOM 923 C CB . ASN A 1 133 ? -27.616 21.142 -38.506 1.00 39.83 ? 200 ASN A CB 1 ATOM 924 C CG . ASN A 1 133 ? -27.350 19.643 -38.509 1.00 43.99 ? 200 ASN A CG 1 ATOM 925 O OD1 . ASN A 1 133 ? -26.339 19.179 -37.995 1.00 42.83 ? 200 ASN A OD1 1 ATOM 926 N ND2 . ASN A 1 133 ? -28.289 18.869 -39.090 1.00 46.63 ? 200 ASN A ND2 1 ATOM 927 N N . ALA A 1 134 ? -24.394 22.906 -39.132 1.00 37.34 ? 201 ALA A N 1 ATOM 928 C CA . ALA A 1 134 ? -23.511 23.310 -40.207 1.00 36.98 ? 201 ALA A CA 1 ATOM 929 C C . ALA A 1 134 ? -22.619 22.189 -40.672 1.00 40.71 ? 201 ALA A C 1 ATOM 930 O O . ALA A 1 134 ? -22.508 21.174 -40.017 1.00 43.71 ? 201 ALA A O 1 ATOM 931 C CB . ALA A 1 134 ? -22.657 24.485 -39.794 1.00 39.84 ? 201 ALA A CB 1 ATOM 932 N N . THR A 1 135 ? -21.990 22.405 -41.828 1.00 38.48 ? 202 THR A N 1 ATOM 933 C CA . THR A 1 135 ? -21.054 21.482 -42.398 1.00 37.91 ? 202 THR A CA 1 ATOM 934 C C . THR A 1 135 ? -19.762 22.211 -42.627 1.00 39.64 ? 202 THR A C 1 ATOM 935 O O . THR A 1 135 ? -19.771 23.275 -43.233 1.00 38.71 ? 202 THR A O 1 ATOM 936 C CB . THR A 1 135 ? -21.493 20.953 -43.786 1.00 39.51 ? 202 THR A CB 1 ATOM 937 O OG1 . THR A 1 135 ? -22.727 20.250 -43.673 1.00 39.96 ? 202 THR A OG1 1 ATOM 938 C CG2 . THR A 1 135 ? -20.471 19.964 -44.344 1.00 40.71 ? 202 THR A CG2 1 ATOM 939 N N . ALA A 1 136 ? -18.650 21.596 -42.224 1.00 33.64 ? 203 ALA A N 1 ATOM 940 C CA . ALA A 1 136 ? -17.359 22.105 -42.582 1.00 35.56 ? 203 ALA A CA 1 ATOM 941 C C . ALA A 1 136 ? -16.757 21.208 -43.638 1.00 36.01 ? 203 ALA A C 1 ATOM 942 O O . ALA A 1 136 ? -16.528 20.011 -43.384 1.00 40.93 ? 203 ALA A O 1 ATOM 943 C CB . ALA A 1 136 ? -16.437 22.162 -41.367 1.00 35.00 ? 203 ALA A CB 1 ATOM 944 N N . SER A 1 137 ? -16.402 21.809 -44.776 1.00 32.25 ? 204 SER A N 1 ATOM 945 C CA . SER A 1 137 ? -15.737 21.081 -45.856 1.00 31.18 ? 204 SER A CA 1 ATOM 946 C C . SER A 1 137 ? -14.248 21.362 -45.844 1.00 33.37 ? 204 SER A C 1 ATOM 947 O O . SER A 1 137 ? -13.837 22.474 -45.581 1.00 34.39 ? 204 SER A O 1 ATOM 948 C CB . SER A 1 137 ? -16.284 21.489 -47.219 1.00 30.47 ? 204 SER A CB 1 ATOM 949 O OG . SER A 1 137 ? -17.620 21.061 -47.430 1.00 33.80 ? 204 SER A OG 1 ATOM 950 N N . PHE A 1 138 ? -13.461 20.338 -46.172 1.00 35.18 ? 205 PHE A N 1 ATOM 951 C CA . PHE A 1 138 ? -12.025 20.408 -46.271 1.00 36.26 ? 205 PHE A CA 1 ATOM 952 C C . PHE A 1 138 ? -11.589 20.131 -47.697 1.00 35.34 ? 205 PHE A C 1 ATOM 953 O O . PHE A 1 138 ? -11.813 19.064 -48.250 1.00 37.82 ? 205 PHE A O 1 ATOM 954 C CB . PHE A 1 138 ? -11.366 19.443 -45.288 1.00 37.26 ? 205 PHE A CB 1 ATOM 955 C CG . PHE A 1 138 ? -11.753 19.705 -43.866 1.00 36.51 ? 205 PHE A CG 1 ATOM 956 C CD1 . PHE A 1 138 ? -12.929 19.290 -43.394 1.00 42.98 ? 205 PHE A CD1 1 ATOM 957 C CD2 . PHE A 1 138 ? -10.929 20.374 -43.028 1.00 39.38 ? 205 PHE A CD2 1 ATOM 958 C CE1 . PHE A 1 138 ? -13.317 19.559 -42.094 1.00 42.69 ? 205 PHE A CE1 1 ATOM 959 C CE2 . PHE A 1 138 ? -11.288 20.639 -41.733 1.00 37.18 ? 205 PHE A CE2 1 ATOM 960 C CZ . PHE A 1 138 ? -12.485 20.238 -41.264 1.00 38.64 ? 205 PHE A CZ 1 ATOM 961 N N . ILE A 1 139 ? -10.959 21.123 -48.279 1.00 37.58 ? 206 ILE A N 1 ATOM 962 C CA . ILE A 1 139 ? -10.624 21.097 -49.668 1.00 39.00 ? 206 ILE A CA 1 ATOM 963 C C . ILE A 1 139 ? -9.157 21.183 -49.777 1.00 35.87 ? 206 ILE A C 1 ATOM 964 O O . ILE A 1 139 ? -8.562 22.107 -49.267 1.00 39.92 ? 206 ILE A O 1 ATOM 965 C CB . ILE A 1 139 ? -11.339 22.236 -50.383 1.00 45.02 ? 206 ILE A CB 1 ATOM 966 C CG1 . ILE A 1 139 ? -12.836 21.918 -50.244 1.00 45.97 ? 206 ILE A CG1 1 ATOM 967 C CG2 . ILE A 1 139 ? -10.863 22.339 -51.836 1.00 44.90 ? 206 ILE A CG2 1 ATOM 968 C CD1 . ILE A 1 139 ? -13.761 22.886 -50.880 1.00 50.80 ? 206 ILE A CD1 1 ATOM 969 N N . TYR A 1 140 ? -8.567 20.170 -50.377 1.00 36.32 ? 207 TYR A N 1 ATOM 970 C CA . TYR A 1 140 ? -7.113 20.093 -50.504 1.00 38.48 ? 207 TYR A CA 1 ATOM 971 C C . TYR A 1 140 ? -6.733 19.918 -51.989 1.00 37.80 ? 207 TYR A C 1 ATOM 972 O O . TYR A 1 140 ? -7.246 19.048 -52.690 1.00 34.82 ? 207 TYR A O 1 ATOM 973 C CB . TYR A 1 140 ? -6.588 18.907 -49.729 1.00 42.65 ? 207 TYR A CB 1 ATOM 974 C CG . TYR A 1 140 ? -5.092 18.814 -49.778 1.00 38.71 ? 207 TYR A CG 1 ATOM 975 C CD1 . TYR A 1 140 ? -4.317 19.668 -48.979 1.00 36.56 ? 207 TYR A CD1 1 ATOM 976 C CD2 . TYR A 1 140 ? -4.444 17.887 -50.583 1.00 38.39 ? 207 TYR A CD2 1 ATOM 977 C CE1 . TYR A 1 140 ? -2.940 19.592 -48.973 1.00 37.01 ? 207 TYR A CE1 1 ATOM 978 C CE2 . TYR A 1 140 ? -3.039 17.824 -50.621 1.00 39.15 ? 207 TYR A CE2 1 ATOM 979 C CZ . TYR A 1 140 ? -2.299 18.675 -49.800 1.00 38.86 ? 207 TYR A CZ 1 ATOM 980 O OH . TYR A 1 140 ? -0.957 18.664 -49.770 1.00 35.68 ? 207 TYR A OH 1 ATOM 981 N N . ASP A 1 141 ? -5.893 20.800 -52.458 1.00 39.46 ? 208 ASP A N 1 ATOM 982 C CA . ASP A 1 141 ? -5.446 20.832 -53.860 1.00 39.51 ? 208 ASP A CA 1 ATOM 983 C C . ASP A 1 141 ? -6.600 20.885 -54.860 1.00 41.25 ? 208 ASP A C 1 ATOM 984 O O . ASP A 1 141 ? -6.642 20.141 -55.830 1.00 38.97 ? 208 ASP A O 1 ATOM 985 C CB . ASP A 1 141 ? -4.576 19.619 -54.151 1.00 42.07 ? 208 ASP A CB 1 ATOM 986 C CG . ASP A 1 141 ? -3.580 19.869 -55.331 1.00 54.90 ? 208 ASP A CG 1 ATOM 987 O OD1 . ASP A 1 141 ? -3.362 21.043 -55.785 1.00 51.84 ? 208 ASP A OD1 1 ATOM 988 O OD2 . ASP A 1 141 ? -2.969 18.878 -55.762 1.00 57.09 ? 208 ASP A OD2 1 ATOM 989 N N . GLY A 1 142 ? -7.586 21.708 -54.565 1.00 41.63 ? 209 GLY A N 1 ATOM 990 C CA . GLY A 1 142 ? -8.743 21.855 -55.422 1.00 37.63 ? 209 GLY A CA 1 ATOM 991 C C . GLY A 1 142 ? -9.735 20.713 -55.342 1.00 43.43 ? 209 GLY A C 1 ATOM 992 O O . GLY A 1 142 ? -10.713 20.743 -56.061 1.00 40.34 ? 209 GLY A O 1 ATOM 993 N N . MET A 1 143 ? -9.533 19.724 -54.463 1.00 45.94 ? 210 MET A N 1 ATOM 994 C CA . MET A 1 143 ? -10.523 18.603 -54.320 1.00 46.32 ? 210 MET A CA 1 ATOM 995 C C . MET A 1 143 ? -11.086 18.467 -52.919 1.00 43.99 ? 210 MET A C 1 ATOM 996 O O . MET A 1 143 ? -10.374 18.661 -51.929 1.00 43.44 ? 210 MET A O 1 ATOM 997 C CB . MET A 1 143 ? -9.896 17.262 -54.625 1.00 48.01 ? 210 MET A CB 1 ATOM 998 C CG . MET A 1 143 ? -9.262 17.146 -56.014 1.00 62.61 ? 210 MET A CG 1 ATOM 999 S SD . MET A 1 143 ? -8.279 15.625 -56.195 1.00 71.51 ? 210 MET A SD 1 ATOM 1000 C CE . MET A 1 143 ? -7.321 16.055 -57.676 1.00 90.03 ? 210 MET A CE 1 ATOM 1001 N N . LEU A 1 144 ? -12.358 18.096 -52.843 1.00 43.62 ? 211 LEU A N 1 ATOM 1002 C CA . LEU A 1 144 ? -13.009 17.815 -51.575 1.00 42.25 ? 211 LEU A CA 1 ATOM 1003 C C . LEU A 1 144 ? -12.409 16.549 -50.959 1.00 43.49 ? 211 LEU A C 1 ATOM 1004 O O . LEU A 1 144 ? -12.444 15.520 -51.579 1.00 39.05 ? 211 LEU A O 1 ATOM 1005 C CB . LEU A 1 144 ? -14.518 17.641 -51.709 1.00 40.79 ? 211 LEU A CB 1 ATOM 1006 C CG . LEU A 1 144 ? -15.040 17.699 -50.239 1.00 48.85 ? 211 LEU A CG 1 ATOM 1007 C CD1 . LEU A 1 144 ? -16.014 18.811 -50.043 1.00 51.58 ? 211 LEU A CD1 1 ATOM 1008 C CD2 . LEU A 1 144 ? -15.631 16.410 -49.757 1.00 54.47 ? 211 LEU A CD2 1 ATOM 1009 N N . ALA A 1 145 ? -11.837 16.667 -49.760 1.00 38.63 ? 212 ALA A N 1 ATOM 1010 C CA . ALA A 1 145 ? -11.130 15.576 -49.112 1.00 37.56 ? 212 ALA A CA 1 ATOM 1011 C C . ALA A 1 145 ? -11.805 15.057 -47.848 1.00 42.00 ? 212 ALA A C 1 ATOM 1012 O O . ALA A 1 145 ? -11.567 13.931 -47.456 1.00 42.04 ? 212 ALA A O 1 ATOM 1013 C CB . ALA A 1 145 ? -9.726 16.033 -48.757 1.00 37.75 ? 212 ALA A CB 1 ATOM 1014 N N . ASP A 1 146 ? -12.605 15.877 -47.182 1.00 40.00 ? 213 ASP A N 1 ATOM 1015 C CA . ASP A 1 146 ? -13.261 15.448 -45.939 1.00 38.19 ? 213 ASP A CA 1 ATOM 1016 C C . ASP A 1 146 ? -14.300 16.445 -45.547 1.00 33.13 ? 213 ASP A C 1 ATOM 1017 O O . ASP A 1 146 ? -14.341 17.527 -46.091 1.00 38.48 ? 213 ASP A O 1 ATOM 1018 C CB . ASP A 1 146 ? -12.241 15.368 -44.784 1.00 41.64 ? 213 ASP A CB 1 ATOM 1019 C CG . ASP A 1 146 ? -12.512 14.178 -43.825 1.00 52.06 ? 213 ASP A CG 1 ATOM 1020 O OD1 . ASP A 1 146 ? -13.647 13.569 -43.865 1.00 53.06 ? 213 ASP A OD1 1 ATOM 1021 O OD2 . ASP A 1 146 ? -11.552 13.835 -43.064 1.00 50.43 ? 213 ASP A OD2 1 ATOM 1022 N N . SER A 1 147 ? -15.120 16.098 -44.570 1.00 35.73 ? 214 SER A N 1 ATOM 1023 C CA . SER A 1 147 ? -16.091 17.016 -44.000 1.00 33.14 ? 214 SER A CA 1 ATOM 1024 C C . SER A 1 147 ? -16.415 16.603 -42.596 1.00 35.43 ? 214 SER A C 1 ATOM 1025 O O . SER A 1 147 ? -16.309 15.450 -42.262 1.00 37.27 ? 214 SER A O 1 ATOM 1026 C CB . SER A 1 147 ? -17.374 17.027 -44.875 1.00 31.55 ? 214 SER A CB 1 ATOM 1027 O OG . SER A 1 147 ? -18.029 15.779 -44.916 1.00 32.57 ? 214 SER A OG 1 ATOM 1028 N N . ILE A 1 148 ? -16.931 17.534 -41.813 1.00 39.93 ? 215 ILE A N 1 ATOM 1029 C CA . ILE A 1 148 ? -17.497 17.238 -40.507 1.00 44.31 ? 215 ILE A CA 1 ATOM 1030 C C . ILE A 1 148 ? -18.753 18.046 -40.290 1.00 41.06 ? 215 ILE A C 1 ATOM 1031 O O . ILE A 1 148 ? -18.798 19.162 -40.708 1.00 38.68 ? 215 ILE A O 1 ATOM 1032 C CB . ILE A 1 148 ? -16.705 17.727 -39.286 1.00 50.12 ? 215 ILE A CB 1 ATOM 1033 C CG1 . ILE A 1 148 ? -15.917 18.940 -39.641 1.00 56.49 ? 215 ILE A CG1 1 ATOM 1034 C CG2 . ILE A 1 148 ? -15.814 16.689 -38.653 1.00 60.56 ? 215 ILE A CG2 1 ATOM 1035 C CD1 . ILE A 1 148 ? -15.454 19.709 -38.434 1.00 68.25 ? 215 ILE A CD1 1 ATOM 1036 N N . GLY A 1 149 ? -19.653 17.489 -39.488 1.00 38.02 ? 216 GLY A N 1 ATOM 1037 C CA . GLY A 1 149 ? -20.799 18.151 -38.972 1.00 44.46 ? 216 GLY A CA 1 ATOM 1038 C C . GLY A 1 149 ? -20.609 18.756 -37.580 1.00 42.92 ? 216 GLY A C 1 ATOM 1039 O O . GLY A 1 149 ? -19.648 18.528 -36.922 1.00 47.89 ? 216 GLY A O 1 ATOM 1040 N N . SER A 1 150 ? -21.530 19.624 -37.220 1.00 47.24 ? 217 SER A N 1 ATOM 1041 C CA . SER A 1 150 ? -21.538 20.368 -35.966 1.00 48.42 ? 217 SER A CA 1 ATOM 1042 C C . SER A 1 150 ? -21.681 19.404 -34.786 1.00 48.97 ? 217 SER A C 1 ATOM 1043 O O . SER A 1 150 ? -22.591 18.655 -34.778 1.00 52.47 ? 217 SER A O 1 ATOM 1044 C CB . SER A 1 150 ? -22.739 21.345 -36.021 1.00 47.46 ? 217 SER A CB 1 ATOM 1045 O OG . SER A 1 150 ? -22.883 22.101 -34.848 1.00 52.61 ? 217 SER A OG 1 ATOM 1046 N N . TRP A 1 151 ? -20.790 19.466 -33.804 1.00 45.16 ? 218 TRP A N 1 ATOM 1047 C CA . TRP A 1 151 ? -20.865 18.640 -32.602 1.00 44.02 ? 218 TRP A CA 1 ATOM 1048 C C . TRP A 1 151 ? -21.687 19.208 -31.424 1.00 44.95 ? 218 TRP A C 1 ATOM 1049 O O . TRP A 1 151 ? -22.125 18.465 -30.634 1.00 45.88 ? 218 TRP A O 1 ATOM 1050 C CB . TRP A 1 151 ? -19.477 18.283 -32.090 1.00 47.07 ? 218 TRP A CB 1 ATOM 1051 C CG . TRP A 1 151 ? -18.540 19.376 -31.881 1.00 46.43 ? 218 TRP A CG 1 ATOM 1052 C CD1 . TRP A 1 151 ? -18.452 20.172 -30.795 1.00 45.25 ? 218 TRP A CD1 1 ATOM 1053 C CD2 . TRP A 1 151 ? -17.512 19.817 -32.803 1.00 48.07 ? 218 TRP A CD2 1 ATOM 1054 N NE1 . TRP A 1 151 ? -17.440 21.097 -30.973 1.00 38.83 ? 218 TRP A NE1 1 ATOM 1055 C CE2 . TRP A 1 151 ? -16.836 20.887 -32.186 1.00 41.38 ? 218 TRP A CE2 1 ATOM 1056 C CE3 . TRP A 1 151 ? -17.104 19.407 -34.100 1.00 46.68 ? 218 TRP A CE3 1 ATOM 1057 C CZ2 . TRP A 1 151 ? -15.745 21.552 -32.798 1.00 39.19 ? 218 TRP A CZ2 1 ATOM 1058 C CZ3 . TRP A 1 151 ? -16.006 20.064 -34.710 1.00 46.83 ? 218 TRP A CZ3 1 ATOM 1059 C CH2 . TRP A 1 151 ? -15.354 21.151 -34.051 1.00 44.15 ? 218 TRP A CH2 1 ATOM 1060 N N . SER A 1 152 ? -21.948 20.500 -31.358 1.00 51.62 ? 219 SER A N 1 ATOM 1061 C CA . SER A 1 152 ? -22.845 21.111 -30.337 1.00 50.39 ? 219 SER A CA 1 ATOM 1062 C C . SER A 1 152 ? -24.081 21.812 -30.878 1.00 50.76 ? 219 SER A C 1 ATOM 1063 O O . SER A 1 152 ? -24.851 22.403 -30.124 1.00 51.92 ? 219 SER A O 1 ATOM 1064 C CB . SER A 1 152 ? -22.088 22.162 -29.577 1.00 47.49 ? 219 SER A CB 1 ATOM 1065 O OG . SER A 1 152 ? -20.995 21.582 -28.949 1.00 54.69 ? 219 SER A OG 1 ATOM 1066 N N . GLN A 1 153 ? -24.254 21.791 -32.198 1.00 57.28 ? 220 GLN A N 1 ATOM 1067 C CA . GLN A 1 153 ? -25.472 22.327 -32.851 1.00 55.37 ? 220 GLN A CA 1 ATOM 1068 C C . GLN A 1 153 ? -25.779 23.800 -32.594 1.00 54.01 ? 220 GLN A C 1 ATOM 1069 O O . GLN A 1 153 ? -26.926 24.202 -32.432 1.00 52.73 ? 220 GLN A O 1 ATOM 1070 C CB . GLN A 1 153 ? -26.640 21.426 -32.486 1.00 62.18 ? 220 GLN A CB 1 ATOM 1071 C CG . GLN A 1 153 ? -26.279 20.011 -32.875 1.00 70.94 ? 220 GLN A CG 1 ATOM 1072 C CD . GLN A 1 153 ? -27.472 19.201 -33.206 1.00 85.10 ? 220 GLN A CD 1 ATOM 1073 O OE1 . GLN A 1 153 ? -28.339 18.967 -32.353 1.00 91.18 ? 220 GLN A OE1 1 ATOM 1074 N NE2 . GLN A 1 153 ? -27.537 18.750 -34.459 1.00 97.66 ? 220 GLN A NE2 1 ATOM 1075 N N . ASN A 1 154 ? -24.716 24.590 -32.523 1.00 56.11 ? 221 ASN A N 1 ATOM 1076 C CA . ASN A 1 154 ? -24.823 26.006 -32.290 1.00 55.00 ? 221 ASN A CA 1 ATOM 1077 C C . ASN A 1 154 ? -23.670 26.796 -32.904 1.00 48.22 ? 221 ASN A C 1 ATOM 1078 O O . ASN A 1 154 ? -22.772 27.302 -32.227 1.00 45.18 ? 221 ASN A O 1 ATOM 1079 C CB . ASN A 1 154 ? -24.895 26.210 -30.761 1.00 60.41 ? 221 ASN A CB 1 ATOM 1080 C CG . ASN A 1 154 ? -25.471 27.547 -30.362 1.00 63.81 ? 221 ASN A CG 1 ATOM 1081 O OD1 . ASN A 1 154 ? -25.766 28.425 -31.193 1.00 56.60 ? 221 ASN A OD1 1 ATOM 1082 N ND2 . ASN A 1 154 ? -25.606 27.720 -29.065 1.00 68.23 ? 221 ASN A ND2 1 ATOM 1083 N N . ILE A 1 155 ? -23.707 26.857 -34.214 1.00 45.07 ? 222 ILE A N 1 ATOM 1084 C CA . ILE A 1 155 ? -22.819 27.696 -35.048 1.00 46.32 ? 222 ILE A CA 1 ATOM 1085 C C . ILE A 1 155 ? -21.362 27.234 -34.987 1.00 46.43 ? 222 ILE A C 1 ATOM 1086 O O . ILE A 1 155 ? -20.480 27.803 -34.337 1.00 45.19 ? 222 ILE A O 1 ATOM 1087 C CB . ILE A 1 155 ? -22.921 29.220 -34.782 1.00 46.79 ? 222 ILE A CB 1 ATOM 1088 C CG1 . ILE A 1 155 ? -24.369 29.664 -34.808 1.00 49.08 ? 222 ILE A CG1 1 ATOM 1089 C CG2 . ILE A 1 155 ? -22.166 30.000 -35.871 1.00 45.39 ? 222 ILE A CG2 1 ATOM 1090 C CD1 . ILE A 1 155 ? -24.617 31.053 -34.277 1.00 49.98 ? 222 ILE A CD1 1 ATOM 1091 N N . LEU A 1 156 ? -21.099 26.182 -35.708 1.00 45.53 ? 223 LEU A N 1 ATOM 1092 C CA . LEU A 1 156 ? -19.703 25.713 -35.907 1.00 46.11 ? 223 LEU A CA 1 ATOM 1093 C C . LEU A 1 156 ? -18.944 26.789 -36.671 1.00 43.93 ? 223 LEU A C 1 ATOM 1094 O O . LEU A 1 156 ? -19.472 27.324 -37.627 1.00 40.24 ? 223 LEU A O 1 ATOM 1095 C CB . LEU A 1 156 ? -19.710 24.399 -36.656 1.00 41.74 ? 223 LEU A CB 1 ATOM 1096 C CG . LEU A 1 156 ? -18.381 23.781 -37.032 1.00 44.03 ? 223 LEU A CG 1 ATOM 1097 C CD1 . LEU A 1 156 ? -17.617 23.354 -35.800 1.00 43.64 ? 223 LEU A CD1 1 ATOM 1098 C CD2 . LEU A 1 156 ? -18.637 22.598 -37.920 1.00 44.41 ? 223 LEU A CD2 1 ATOM 1099 N N . ARG A 1 157 ? -17.784 27.175 -36.148 1.00 40.62 ? 224 ARG A N 1 ATOM 1100 C CA . ARG A 1 157 ? -17.036 28.309 -36.652 1.00 43.46 ? 224 ARG A CA 1 ATOM 1101 C C . ARG A 1 157 ? -15.558 28.078 -36.456 1.00 42.79 ? 224 ARG A C 1 ATOM 1102 O O . ARG A 1 157 ? -15.150 27.255 -35.643 1.00 40.55 ? 224 ARG A O 1 ATOM 1103 C CB . ARG A 1 157 ? -17.430 29.626 -35.996 1.00 46.77 ? 224 ARG A CB 1 ATOM 1104 C CG . ARG A 1 157 ? -17.560 29.489 -34.477 1.00 49.98 ? 224 ARG A CG 1 ATOM 1105 C CD . ARG A 1 157 ? -18.546 30.480 -33.834 1.00 51.52 ? 224 ARG A CD 1 ATOM 1106 N NE . ARG A 1 157 ? -18.547 30.406 -32.367 1.00 55.13 ? 224 ARG A NE 1 ATOM 1107 C CZ . ARG A 1 157 ? -19.338 29.680 -31.563 1.00 54.10 ? 224 ARG A CZ 1 ATOM 1108 N NH1 . ARG A 1 157 ? -19.182 29.766 -30.235 1.00 53.20 ? 224 ARG A NH1 1 ATOM 1109 N NH2 . ARG A 1 157 ? -20.292 28.895 -32.044 1.00 61.15 ? 224 ARG A NH2 1 ATOM 1110 N N . THR A 1 158 ? -14.744 28.791 -37.243 1.00 39.12 ? 225 THR A N 1 ATOM 1111 C CA . THR A 1 158 ? -13.314 28.578 -37.195 1.00 38.11 ? 225 THR A CA 1 ATOM 1112 C C . THR A 1 158 ? -12.545 29.892 -37.124 1.00 37.57 ? 225 THR A C 1 ATOM 1113 O O . THR A 1 158 ? -13.063 30.911 -36.675 1.00 39.37 ? 225 THR A O 1 ATOM 1114 C CB . THR A 1 158 ? -12.854 27.588 -38.304 1.00 40.02 ? 225 THR A CB 1 ATOM 1115 O OG1 . THR A 1 158 ? -11.470 27.277 -38.150 1.00 43.44 ? 225 THR A OG1 1 ATOM 1116 C CG2 . THR A 1 158 ? -13.063 28.129 -39.727 1.00 45.91 ? 225 THR A CG2 1 ATOM 1117 N N . GLN A 1 159 ? -11.298 29.888 -37.566 1.00 38.78 ? 226 GLN A N 1 ATOM 1118 C CA . GLN A 1 159 ? -10.370 30.995 -37.246 1.00 39.14 ? 226 GLN A CA 1 ATOM 1119 C C . GLN A 1 159 ? -10.584 32.343 -37.939 1.00 39.05 ? 226 GLN A C 1 ATOM 1120 O O . GLN A 1 159 ? -10.350 33.394 -37.344 1.00 36.89 ? 226 GLN A O 1 ATOM 1121 C CB . GLN A 1 159 ? -8.949 30.547 -37.510 1.00 41.43 ? 226 GLN A CB 1 ATOM 1122 C CG . GLN A 1 159 ? -8.504 29.377 -36.639 1.00 39.50 ? 226 GLN A CG 1 ATOM 1123 C CD . GLN A 1 159 ? -7.106 28.861 -36.916 1.00 42.39 ? 226 GLN A CD 1 ATOM 1124 O OE1 . GLN A 1 159 ? -6.786 27.745 -36.543 1.00 45.97 ? 226 GLN A OE1 1 ATOM 1125 N NE2 . GLN A 1 159 ? -6.268 29.662 -37.573 1.00 44.27 ? 226 GLN A NE2 1 ATOM 1126 N N . GLU A 1 160 ? -11.049 32.322 -39.187 1.00 37.91 ? 227 GLU A N 1 ATOM 1127 C CA . GLU A 1 160 ? -11.031 33.478 -40.039 1.00 34.32 ? 227 GLU A CA 1 ATOM 1128 C C . GLU A 1 160 ? -9.601 34.032 -40.237 1.00 34.84 ? 227 GLU A C 1 ATOM 1129 O O . GLU A 1 160 ? -9.404 35.248 -40.457 1.00 36.78 ? 227 GLU A O 1 ATOM 1130 C CB . GLU A 1 160 ? -11.984 34.603 -39.555 1.00 35.83 ? 227 GLU A CB 1 ATOM 1131 C CG . GLU A 1 160 ? -13.279 34.201 -38.862 1.00 43.73 ? 227 GLU A CG 1 ATOM 1132 C CD . GLU A 1 160 ? -14.235 33.347 -39.663 1.00 46.42 ? 227 GLU A CD 1 ATOM 1133 O OE1 . GLU A 1 160 ? -13.994 33.182 -40.875 1.00 50.86 ? 227 GLU A OE1 1 ATOM 1134 O OE2 . GLU A 1 160 ? -15.216 32.810 -39.043 1.00 51.52 ? 227 GLU A OE2 1 ATOM 1135 N N . SER A 1 161 ? -8.612 33.159 -40.174 1.00 34.95 ? 228 SER A N 1 ATOM 1136 C CA . SER A 1 161 ? -7.261 33.516 -40.586 1.00 37.41 ? 228 SER A CA 1 ATOM 1137 C C . SER A 1 161 ? -6.498 32.241 -40.947 1.00 36.01 ? 228 SER A C 1 ATOM 1138 O O . SER A 1 161 ? -7.068 31.159 -40.938 1.00 38.07 ? 228 SER A O 1 ATOM 1139 C CB . SER A 1 161 ? -6.550 34.343 -39.484 1.00 41.61 ? 228 SER A CB 1 ATOM 1140 O OG . SER A 1 161 ? -6.471 33.618 -38.281 1.00 44.57 ? 228 SER A OG 1 ATOM 1141 N N . GLU A 1 162 ? -5.223 32.349 -41.256 1.00 31.82 ? 229 GLU A N 1 ATOM 1142 C CA . GLU A 1 162 ? -4.509 31.197 -41.757 1.00 34.15 ? 229 GLU A CA 1 ATOM 1143 C C . GLU A 1 162 ? -4.375 30.107 -40.696 1.00 36.87 ? 229 GLU A C 1 ATOM 1144 O O . GLU A 1 162 ? -4.090 30.379 -39.506 1.00 36.49 ? 229 GLU A O 1 ATOM 1145 C CB . GLU A 1 162 ? -3.147 31.572 -42.364 1.00 36.03 ? 229 GLU A CB 1 ATOM 1146 C CG . GLU A 1 162 ? -1.965 31.844 -41.407 1.00 40.81 ? 229 GLU A CG 1 ATOM 1147 C CD . GLU A 1 162 ? -0.611 31.969 -42.192 1.00 50.38 ? 229 GLU A CD 1 ATOM 1148 O OE1 . GLU A 1 162 ? 0.461 32.167 -41.530 1.00 47.65 ? 229 GLU A OE1 1 ATOM 1149 O OE2 . GLU A 1 162 ? -0.620 31.750 -43.466 1.00 43.24 ? 229 GLU A OE2 1 ATOM 1150 N N . CYS A 1 163 ? -4.561 28.871 -41.161 1.00 34.84 ? 230 CYS A N 1 ATOM 1151 C CA . CYS A 1 163 ? -4.120 27.713 -40.394 1.00 37.81 ? 230 CYS A CA 1 ATOM 1152 C C . CYS A 1 163 ? -2.608 27.530 -40.571 1.00 39.22 ? 230 CYS A C 1 ATOM 1153 O O . CYS A 1 163 ? -1.944 28.337 -41.257 1.00 40.31 ? 230 CYS A O 1 ATOM 1154 C CB . CYS A 1 163 ? -4.918 26.448 -40.760 1.00 38.16 ? 230 CYS A CB 1 ATOM 1155 S SG . CYS A 1 163 ? -5.383 26.249 -42.518 1.00 44.70 ? 230 CYS A SG 1 ATOM 1156 N N . VAL A 1 164 ? -2.063 26.520 -39.923 1.00 36.45 ? 231 VAL A N 1 ATOM 1157 C CA . VAL A 1 164 ? -0.607 26.309 -39.923 1.00 37.66 ? 231 VAL A CA 1 ATOM 1158 C C . VAL A 1 164 ? -0.292 24.856 -40.147 1.00 37.63 ? 231 VAL A C 1 ATOM 1159 O O . VAL A 1 164 ? -0.883 23.980 -39.479 1.00 39.36 ? 231 VAL A O 1 ATOM 1160 C CB . VAL A 1 164 ? 0.027 26.729 -38.577 1.00 37.08 ? 231 VAL A CB 1 ATOM 1161 C CG1 . VAL A 1 164 ? 1.529 26.644 -38.623 1.00 38.03 ? 231 VAL A CG1 1 ATOM 1162 C CG2 . VAL A 1 164 ? -0.349 28.126 -38.254 1.00 35.05 ? 231 VAL A CG2 1 ATOM 1163 N N . CYS A 1 165 ? 0.666 24.599 -41.045 1.00 37.21 ? 232 CYS A N 1 ATOM 1164 C CA . CYS A 1 165 ? 1.076 23.254 -41.364 1.00 40.51 ? 232 CYS A CA 1 ATOM 1165 C C . CYS A 1 165 ? 2.525 23.070 -41.044 1.00 43.95 ? 232 CYS A C 1 ATOM 1166 O O . CYS A 1 165 ? 3.333 23.861 -41.481 1.00 42.21 ? 232 CYS A O 1 ATOM 1167 C CB . CYS A 1 165 ? 0.885 22.939 -42.832 1.00 42.68 ? 232 CYS A CB 1 ATOM 1168 S SG . CYS A 1 165 ? -0.748 23.377 -43.472 1.00 48.49 ? 232 CYS A SG 1 ATOM 1169 N N . ILE A 1 166 ? 2.857 21.936 -40.405 1.00 41.70 ? 233 ILE A N 1 ATOM 1170 C CA . ILE A 1 166 ? 4.244 21.500 -40.237 1.00 42.58 ? 233 ILE A CA 1 ATOM 1171 C C . ILE A 1 166 ? 4.482 20.082 -40.702 1.00 41.67 ? 233 ILE A C 1 ATOM 1172 O O . ILE A 1 166 ? 3.842 19.158 -40.256 1.00 38.67 ? 233 ILE A O 1 ATOM 1173 C CB . ILE A 1 166 ? 4.727 21.627 -38.755 1.00 45.48 ? 233 ILE A CB 1 ATOM 1174 C CG1 . ILE A 1 166 ? 4.657 23.085 -38.345 1.00 48.97 ? 233 ILE A CG1 1 ATOM 1175 C CG2 . ILE A 1 166 ? 6.122 21.053 -38.587 1.00 41.72 ? 233 ILE A CG2 1 ATOM 1176 C CD1 . ILE A 1 166 ? 4.976 23.375 -36.883 1.00 52.44 ? 233 ILE A CD1 1 ATOM 1177 N N . ASN A 1 167 ? 5.432 19.936 -41.620 1.00 41.32 ? 234 ASN A N 1 ATOM 1178 C CA . ASN A 1 167 ? 5.746 18.664 -42.157 1.00 44.36 ? 234 ASN A CA 1 ATOM 1179 C C . ASN A 1 167 ? 4.541 17.915 -42.679 1.00 45.60 ? 234 ASN A C 1 ATOM 1180 O O . ASN A 1 167 ? 4.414 16.730 -42.446 1.00 46.31 ? 234 ASN A O 1 ATOM 1181 C CB . ASN A 1 167 ? 6.502 17.773 -41.153 1.00 52.62 ? 234 ASN A CB 1 ATOM 1182 C CG . ASN A 1 167 ? 7.352 16.750 -41.873 1.00 54.00 ? 234 ASN A CG 1 ATOM 1183 O OD1 . ASN A 1 167 ? 7.675 16.942 -43.043 1.00 59.43 ? 234 ASN A OD1 1 ATOM 1184 N ND2 . ASN A 1 167 ? 7.689 15.663 -41.224 1.00 67.26 ? 234 ASN A ND2 1 ATOM 1185 N N . GLY A 1 168 ? 3.645 18.604 -43.367 1.00 40.17 ? 235 GLY A N 1 ATOM 1186 C CA . GLY A 1 168 ? 2.506 17.928 -43.959 1.00 45.16 ? 235 GLY A CA 1 ATOM 1187 C C . GLY A 1 168 ? 1.273 17.829 -43.067 1.00 43.20 ? 235 GLY A C 1 ATOM 1188 O O . GLY A 1 168 ? 0.232 17.399 -43.526 1.00 47.62 ? 235 GLY A O 1 ATOM 1189 N N . THR A 1 169 ? 1.396 18.160 -41.791 1.00 44.04 ? 236 THR A N 1 ATOM 1190 C CA . THR A 1 169 ? 0.239 18.132 -40.876 1.00 45.10 ? 236 THR A CA 1 ATOM 1191 C C . THR A 1 169 ? -0.218 19.563 -40.553 1.00 42.51 ? 236 THR A C 1 ATOM 1192 O O . THR A 1 169 ? 0.548 20.334 -39.982 1.00 42.73 ? 236 THR A O 1 ATOM 1193 C CB . THR A 1 169 ? 0.572 17.429 -39.536 1.00 44.20 ? 236 THR A CB 1 ATOM 1194 O OG1 . THR A 1 169 ? 0.826 16.061 -39.793 1.00 42.82 ? 236 THR A OG1 1 ATOM 1195 C CG2 . THR A 1 169 ? -0.619 17.472 -38.604 1.00 48.71 ? 236 THR A CG2 1 ATOM 1196 N N . CYS A 1 170 ? -1.468 19.852 -40.876 1.00 36.45 ? 237 CYS A N 1 ATOM 1197 C CA . CYS A 1 170 ? -2.056 21.155 -40.668 1.00 39.12 ? 237 CYS A CA 1 ATOM 1198 C C . CYS A 1 170 ? -2.999 21.135 -39.471 1.00 38.79 ? 237 CYS A C 1 ATOM 1199 O O . CYS A 1 170 ? -3.704 20.181 -39.232 1.00 37.07 ? 237 CYS A O 1 ATOM 1200 C CB . CYS A 1 170 ? -2.854 21.619 -41.900 1.00 40.43 ? 237 CYS A CB 1 ATOM 1201 S SG . CYS A 1 170 ? -1.881 21.589 -43.467 1.00 50.54 ? 237 CYS A SG 1 ATOM 1202 N N . THR A 1 171 ? -2.994 22.223 -38.727 1.00 38.24 ? 238 THR A N 1 ATOM 1203 C CA . THR A 1 171 ? -3.810 22.336 -37.569 1.00 40.49 ? 238 THR A CA 1 ATOM 1204 C C . THR A 1 171 ? -4.711 23.562 -37.675 1.00 37.95 ? 238 THR A C 1 ATOM 1205 O O . THR A 1 171 ? -4.314 24.611 -38.163 1.00 36.33 ? 238 THR A O 1 ATOM 1206 C CB . THR A 1 171 ? -2.956 22.365 -36.280 1.00 46.39 ? 238 THR A CB 1 ATOM 1207 O OG1 . THR A 1 171 ? -3.824 22.239 -35.152 1.00 48.14 ? 238 THR A OG1 1 ATOM 1208 C CG2 . THR A 1 171 ? -2.198 23.701 -36.139 1.00 44.87 ? 238 THR A CG2 1 ATOM 1209 N N . VAL A 1 172 ? -5.932 23.394 -37.192 1.00 37.53 ? 239 VAL A N 1 ATOM 1210 C CA . VAL A 1 172 ? -6.945 24.407 -37.202 1.00 38.35 ? 239 VAL A CA 1 ATOM 1211 C C . VAL A 1 172 ? -7.822 24.267 -35.974 1.00 39.53 ? 239 VAL A C 1 ATOM 1212 O O . VAL A 1 172 ? -8.172 23.150 -35.554 1.00 36.58 ? 239 VAL A O 1 ATOM 1213 C CB . VAL A 1 172 ? -7.787 24.358 -38.501 1.00 43.92 ? 239 VAL A CB 1 ATOM 1214 C CG1 . VAL A 1 172 ? -8.668 23.160 -38.538 1.00 47.15 ? 239 VAL A CG1 1 ATOM 1215 C CG2 . VAL A 1 172 ? -8.643 25.608 -38.620 1.00 51.23 ? 239 VAL A CG2 1 ATOM 1216 N N . VAL A 1 173 ? -8.181 25.414 -35.414 1.00 36.45 ? 240 VAL A N 1 ATOM 1217 C CA . VAL A 1 173 ? -8.983 25.482 -34.230 1.00 36.13 ? 240 VAL A CA 1 ATOM 1218 C C . VAL A 1 173 ? -10.409 25.823 -34.600 1.00 35.99 ? 240 VAL A C 1 ATOM 1219 O O . VAL A 1 173 ? -10.634 26.782 -35.357 1.00 38.25 ? 240 VAL A O 1 ATOM 1220 C CB . VAL A 1 173 ? -8.479 26.584 -33.269 1.00 38.77 ? 240 VAL A CB 1 ATOM 1221 C CG1 . VAL A 1 173 ? -9.268 26.547 -31.962 1.00 38.68 ? 240 VAL A CG1 1 ATOM 1222 C CG2 . VAL A 1 173 ? -7.007 26.422 -32.951 1.00 39.30 ? 240 VAL A CG2 1 ATOM 1223 N N . MET A 1 174 ? -11.373 25.103 -34.012 1.00 36.13 ? 241 MET A N 1 ATOM 1224 C CA . MET A 1 174 ? -12.794 25.286 -34.315 1.00 38.32 ? 241 MET A CA 1 ATOM 1225 C C . MET A 1 174 ? -13.581 25.336 -33.014 1.00 41.58 ? 241 MET A C 1 ATOM 1226 O O . MET A 1 174 ? -13.241 24.665 -32.045 1.00 39.58 ? 241 MET A O 1 ATOM 1227 C CB . MET A 1 174 ? -13.293 24.140 -35.188 1.00 39.69 ? 241 MET A CB 1 ATOM 1228 C CG . MET A 1 174 ? -12.597 23.999 -36.535 1.00 45.47 ? 241 MET A CG 1 ATOM 1229 S SD . MET A 1 174 ? -13.507 22.942 -37.714 1.00 51.27 ? 241 MET A SD 1 ATOM 1230 C CE . MET A 1 174 ? -14.715 24.050 -38.414 1.00 49.92 ? 241 MET A CE 1 ATOM 1231 N N . THR A 1 175 ? -14.674 26.087 -33.001 1.00 41.30 ? 242 THR A N 1 ATOM 1232 C CA . THR A 1 175 ? -15.499 26.177 -31.830 1.00 40.34 ? 242 THR A CA 1 ATOM 1233 C C . THR A 1 175 ? -16.935 25.966 -32.257 1.00 42.35 ? 242 THR A C 1 ATOM 1234 O O . THR A 1 175 ? -17.362 26.425 -33.296 1.00 44.48 ? 242 THR A O 1 ATOM 1235 C CB . THR A 1 175 ? -15.337 27.530 -31.136 1.00 41.50 ? 242 THR A CB 1 ATOM 1236 O OG1 . THR A 1 175 ? -13.995 27.647 -30.697 1.00 45.23 ? 242 THR A OG1 1 ATOM 1237 C CG2 . THR A 1 175 ? -16.237 27.667 -29.893 1.00 44.57 ? 242 THR A CG2 1 ATOM 1238 N N . ASP A 1 176 ? -17.669 25.248 -31.435 1.00 41.09 ? 243 ASP A N 1 ATOM 1239 C CA . ASP A 1 176 ? -19.107 25.116 -31.622 1.00 41.97 ? 243 ASP A CA 1 ATOM 1240 C C . ASP A 1 176 ? -19.798 25.357 -30.294 1.00 45.87 ? 243 ASP A C 1 ATOM 1241 O O . ASP A 1 176 ? -19.330 25.000 -29.247 1.00 45.71 ? 243 ASP A O 1 ATOM 1242 C CB . ASP A 1 176 ? -19.377 23.725 -32.097 1.00 40.15 ? 243 ASP A CB 1 ATOM 1243 C CG . ASP A 1 176 ? -20.755 23.553 -32.740 1.00 42.98 ? 243 ASP A CG 1 ATOM 1244 O OD1 . ASP A 1 176 ? -21.672 24.367 -32.555 1.00 45.96 ? 243 ASP A OD1 1 ATOM 1245 O OD2 . ASP A 1 176 ? -20.956 22.533 -33.423 1.00 45.64 ? 243 ASP A OD2 1 ATOM 1246 N N . GLY A 1 177 ? -20.900 26.045 -30.299 1.00 53.30 ? 244 GLY A N 1 ATOM 1247 C CA . GLY A 1 177 ? -21.654 26.105 -29.070 1.00 57.05 ? 244 GLY A CA 1 ATOM 1248 C C . GLY A 1 177 ? -21.865 27.535 -28.639 1.00 66.09 ? 244 GLY A C 1 ATOM 1249 O O . GLY A 1 177 ? -21.408 28.476 -29.322 1.00 61.94 ? 244 GLY A O 1 ATOM 1250 N N . SER A 1 178 ? -22.495 27.682 -27.476 1.00 67.17 ? 245 SER A N 1 ATOM 1251 C CA . SER A 1 178 ? -23.106 28.948 -27.114 1.00 80.48 ? 245 SER A CA 1 ATOM 1252 C C . SER A 1 178 ? -21.992 29.912 -26.810 1.00 86.79 ? 245 SER A C 1 ATOM 1253 O O . SER A 1 178 ? -21.189 29.662 -25.923 1.00 87.26 ? 245 SER A O 1 ATOM 1254 C CB . SER A 1 178 ? -24.030 28.807 -25.896 1.00 82.52 ? 245 SER A CB 1 ATOM 1255 O OG . SER A 1 178 ? -24.402 30.057 -25.390 1.00 77.61 ? 245 SER A OG 1 ATOM 1256 N N . ALA A 1 179 ? -21.933 30.994 -27.572 1.00 87.48 ? 246 ALA A N 1 ATOM 1257 C CA . ALA A 1 179 ? -21.043 32.119 -27.256 1.00 90.19 ? 246 ALA A CA 1 ATOM 1258 C C . ALA A 1 179 ? -20.958 32.573 -25.733 1.00 100.81 ? 246 ALA A C 1 ATOM 1259 O O . ALA A 1 179 ? -19.946 33.167 -25.348 1.00 104.72 ? 246 ALA A O 1 ATOM 1260 C CB . ALA A 1 179 ? -21.448 33.277 -28.151 1.00 84.49 ? 246 ALA A CB 1 ATOM 1261 N N . SER A 1 180 ? -21.976 32.271 -24.899 1.00 111.12 ? 247 SER A N 1 ATOM 1262 C CA . SER A 1 180 ? -21.983 32.542 -23.419 1.00 107.79 ? 247 SER A CA 1 ATOM 1263 C C . SER A 1 180 ? -21.482 31.309 -22.560 1.00 111.04 ? 247 SER A C 1 ATOM 1264 O O . SER A 1 180 ? -20.658 31.449 -21.636 1.00 105.79 ? 247 SER A O 1 ATOM 1265 C CB . SER A 1 180 ? -23.406 32.987 -22.870 1.00 102.03 ? 247 SER A CB 1 ATOM 1266 O OG . SER A 1 180 ? -24.422 33.259 -23.846 1.00 97.31 ? 247 SER A OG 1 ATOM 1267 N N . GLY A 1 181 ? -21.985 30.109 -22.848 1.00 112.24 ? 248 GLY A N 1 ATOM 1268 C CA . GLY A 1 181 ? -21.863 28.996 -21.888 1.00 107.74 ? 248 GLY A CA 1 ATOM 1269 C C . GLY A 1 181 ? -22.153 27.634 -22.469 1.00 115.75 ? 248 GLY A C 1 ATOM 1270 O O . GLY A 1 181 ? -23.213 27.435 -23.040 1.00 111.27 ? 248 GLY A O 1 ATOM 1271 N N . ARG A 1 182 ? -21.222 26.696 -22.247 1.00 117.38 ? 249 ARG A N 1 ATOM 1272 C CA . ARG A 1 182 ? -21.102 25.402 -22.968 1.00 108.50 ? 249 ARG A CA 1 ATOM 1273 C C . ARG A 1 182 ? -20.678 25.730 -24.390 1.00 92.51 ? 249 ARG A C 1 ATOM 1274 O O . ARG A 1 182 ? -21.462 25.661 -25.359 1.00 98.52 ? 249 ARG A O 1 ATOM 1275 C CB . ARG A 1 182 ? -22.376 24.535 -22.921 1.00 117.21 ? 249 ARG A CB 1 ATOM 1276 C CG . ARG A 1 182 ? -22.888 24.343 -21.515 1.00 119.22 ? 249 ARG A CG 1 ATOM 1277 C CD . ARG A 1 182 ? -24.099 23.445 -21.385 1.00 117.70 ? 249 ARG A CD 1 ATOM 1278 N NE . ARG A 1 182 ? -24.581 23.556 -20.006 1.00 120.00 ? 249 ARG A NE 1 ATOM 1279 C CZ . ARG A 1 182 ? -25.848 23.444 -19.615 1.00 112.66 ? 249 ARG A CZ 1 ATOM 1280 N NH1 . ARG A 1 182 ? -26.814 23.210 -20.494 1.00 117.50 ? 249 ARG A NH1 1 ATOM 1281 N NH2 . ARG A 1 182 ? -26.146 23.567 -18.326 1.00 104.58 ? 249 ARG A NH2 1 ATOM 1282 N N . ALA A 1 183 ? -19.421 26.152 -24.474 1.00 71.30 ? 250 ALA A N 1 ATOM 1283 C CA . ALA A 1 183 ? -18.728 26.353 -25.751 1.00 64.48 ? 250 ALA A CA 1 ATOM 1284 C C . ALA A 1 183 ? -17.698 25.263 -25.888 1.00 57.12 ? 250 ALA A C 1 ATOM 1285 O O . ALA A 1 183 ? -16.939 25.071 -24.991 1.00 61.49 ? 250 ALA A O 1 ATOM 1286 C CB . ALA A 1 183 ? -18.031 27.684 -25.835 1.00 57.57 ? 250 ALA A CB 1 ATOM 1287 N N . ASP A 1 184 ? -17.623 24.614 -27.036 1.00 51.27 ? 251 ASP A N 1 ATOM 1288 C CA . ASP A 1 184 ? -16.825 23.440 -27.157 1.00 46.67 ? 251 ASP A CA 1 ATOM 1289 C C . ASP A 1 184 ? -15.842 23.604 -28.321 1.00 42.41 ? 251 ASP A C 1 ATOM 1290 O O . ASP A 1 184 ? -16.171 23.546 -29.528 1.00 42.88 ? 251 ASP A O 1 ATOM 1291 C CB . ASP A 1 184 ? -17.774 22.272 -27.332 1.00 50.17 ? 251 ASP A CB 1 ATOM 1292 C CG . ASP A 1 184 ? -17.065 20.916 -27.425 1.00 53.84 ? 251 ASP A CG 1 ATOM 1293 O OD1 . ASP A 1 184 ? -15.903 20.836 -27.836 1.00 59.79 ? 251 ASP A OD1 1 ATOM 1294 O OD2 . ASP A 1 184 ? -17.708 19.917 -27.158 1.00 52.36 ? 251 ASP A OD2 1 ATOM 1295 N N . THR A 1 185 ? -14.623 23.844 -27.910 1.00 39.91 ? 252 THR A N 1 ATOM 1296 C CA . THR A 1 185 ? -13.497 24.136 -28.760 1.00 39.34 ? 252 THR A CA 1 ATOM 1297 C C . THR A 1 185 ? -12.676 22.876 -28.994 1.00 41.60 ? 252 THR A C 1 ATOM 1298 O O . THR A 1 185 ? -12.410 22.152 -28.070 1.00 36.45 ? 252 THR A O 1 ATOM 1299 C CB . THR A 1 185 ? -12.646 25.230 -28.159 1.00 37.93 ? 252 THR A CB 1 ATOM 1300 O OG1 . THR A 1 185 ? -13.394 26.435 -28.164 1.00 44.21 ? 252 THR A OG1 1 ATOM 1301 C CG2 . THR A 1 185 ? -11.409 25.473 -28.983 1.00 41.53 ? 252 THR A CG2 1 ATOM 1302 N N . ARG A 1 186 ? -12.355 22.607 -30.265 1.00 43.82 ? 253 ARG A N 1 ATOM 1303 C CA . ARG A 1 186 ? -11.572 21.446 -30.665 1.00 44.33 ? 253 ARG A CA 1 ATOM 1304 C C . ARG A 1 186 ? -10.505 21.817 -31.657 1.00 43.77 ? 253 ARG A C 1 ATOM 1305 O O . ARG A 1 186 ? -10.666 22.722 -32.429 1.00 46.06 ? 253 ARG A O 1 ATOM 1306 C CB . ARG A 1 186 ? -12.439 20.377 -31.270 1.00 47.01 ? 253 ARG A CB 1 ATOM 1307 C CG . ARG A 1 186 ? -13.476 19.942 -30.253 1.00 47.97 ? 253 ARG A CG 1 ATOM 1308 C CD . ARG A 1 186 ? -14.256 18.691 -30.628 1.00 45.62 ? 253 ARG A CD 1 ATOM 1309 N NE . ARG A 1 186 ? -15.400 18.559 -29.717 1.00 40.65 ? 253 ARG A NE 1 ATOM 1310 C CZ . ARG A 1 186 ? -16.207 17.499 -29.628 1.00 38.26 ? 253 ARG A CZ 1 ATOM 1311 N NH1 . ARG A 1 186 ? -16.118 16.487 -30.463 1.00 40.57 ? 253 ARG A NH1 1 ATOM 1312 N NH2 . ARG A 1 186 ? -17.103 17.476 -28.675 1.00 38.30 ? 253 ARG A NH2 1 ATOM 1313 N N . ILE A 1 187 ? -9.395 21.116 -31.573 1.00 43.17 ? 254 ILE A N 1 ATOM 1314 C CA . ILE A 1 187 ? -8.239 21.356 -32.404 1.00 42.44 ? 254 ILE A CA 1 ATOM 1315 C C . ILE A 1 187 ? -8.091 20.151 -33.330 1.00 41.24 ? 254 ILE A C 1 ATOM 1316 O O . ILE A 1 187 ? -7.859 19.019 -32.885 1.00 42.37 ? 254 ILE A O 1 ATOM 1317 C CB . ILE A 1 187 ? -6.932 21.567 -31.562 1.00 43.33 ? 254 ILE A CB 1 ATOM 1318 C CG1 . ILE A 1 187 ? -7.009 22.839 -30.726 1.00 40.50 ? 254 ILE A CG1 1 ATOM 1319 C CG2 . ILE A 1 187 ? -5.734 21.705 -32.466 1.00 47.86 ? 254 ILE A CG2 1 ATOM 1320 C CD1 . ILE A 1 187 ? -7.836 22.697 -29.456 1.00 44.31 ? 254 ILE A CD1 1 ATOM 1321 N N . LEU A 1 188 ? -8.183 20.438 -34.623 1.00 42.07 ? 255 LEU A N 1 ATOM 1322 C CA . LEU A 1 188 ? -8.110 19.447 -35.680 1.00 39.81 ? 255 LEU A CA 1 ATOM 1323 C C . LEU A 1 188 ? -6.720 19.368 -36.294 1.00 38.15 ? 255 LEU A C 1 ATOM 1324 O O . LEU A 1 188 ? -6.045 20.378 -36.448 1.00 41.76 ? 255 LEU A O 1 ATOM 1325 C CB . LEU A 1 188 ? -9.098 19.784 -36.786 1.00 38.22 ? 255 LEU A CB 1 ATOM 1326 C CG . LEU A 1 188 ? -10.535 19.480 -36.410 1.00 40.52 ? 255 LEU A CG 1 ATOM 1327 C CD1 . LEU A 1 188 ? -11.120 20.395 -35.364 1.00 41.85 ? 255 LEU A CD1 1 ATOM 1328 C CD2 . LEU A 1 188 ? -11.371 19.565 -37.656 1.00 42.98 ? 255 LEU A CD2 1 ATOM 1329 N N . PHE A 1 189 ? -6.329 18.171 -36.648 1.00 34.88 ? 256 PHE A N 1 ATOM 1330 C CA . PHE A 1 189 ? -5.050 17.861 -37.311 1.00 36.77 ? 256 PHE A CA 1 ATOM 1331 C C . PHE A 1 189 ? -5.325 17.164 -38.611 1.00 36.04 ? 256 PHE A C 1 ATOM 1332 O O . PHE A 1 189 ? -6.084 16.204 -38.655 1.00 39.21 ? 256 PHE A O 1 ATOM 1333 C CB . PHE A 1 189 ? -4.200 16.965 -36.433 1.00 37.02 ? 256 PHE A CB 1 ATOM 1334 C CG . PHE A 1 189 ? -3.854 17.575 -35.111 1.00 36.30 ? 256 PHE A CG 1 ATOM 1335 C CD1 . PHE A 1 189 ? -4.722 17.463 -34.026 1.00 39.84 ? 256 PHE A CD1 1 ATOM 1336 C CD2 . PHE A 1 189 ? -2.690 18.298 -34.948 1.00 41.82 ? 256 PHE A CD2 1 ATOM 1337 C CE1 . PHE A 1 189 ? -4.398 18.013 -32.773 1.00 42.50 ? 256 PHE A CE1 1 ATOM 1338 C CE2 . PHE A 1 189 ? -2.354 18.859 -33.704 1.00 45.40 ? 256 PHE A CE2 1 ATOM 1339 C CZ . PHE A 1 189 ? -3.229 18.721 -32.619 1.00 42.42 ? 256 PHE A CZ 1 ATOM 1340 N N . ILE A 1 190 ? -4.802 17.729 -39.693 1.00 39.27 ? 257 ILE A N 1 ATOM 1341 C CA . ILE A 1 190 ? -5.258 17.405 -41.041 1.00 41.03 ? 257 ILE A CA 1 ATOM 1342 C C . ILE A 1 190 ? -4.089 17.164 -41.964 1.00 41.71 ? 257 ILE A C 1 ATOM 1343 O O . ILE A 1 190 ? -3.155 17.929 -42.003 1.00 44.82 ? 257 ILE A O 1 ATOM 1344 C CB . ILE A 1 190 ? -6.109 18.552 -41.604 1.00 43.85 ? 257 ILE A CB 1 ATOM 1345 C CG1 . ILE A 1 190 ? -7.335 18.746 -40.726 1.00 46.46 ? 257 ILE A CG1 1 ATOM 1346 C CG2 . ILE A 1 190 ? -6.631 18.242 -43.010 1.00 45.54 ? 257 ILE A CG2 1 ATOM 1347 C CD1 . ILE A 1 190 ? -7.884 20.132 -40.757 1.00 44.43 ? 257 ILE A CD1 1 ATOM 1348 N N . LYS A 1 191 ? -4.175 16.096 -42.721 1.00 40.64 ? 258 LYS A N 1 ATOM 1349 C CA . LYS A 1 191 ? -3.103 15.649 -43.568 1.00 42.46 ? 258 LYS A CA 1 ATOM 1350 C C . LYS A 1 191 ? -3.687 15.427 -44.957 1.00 40.56 ? 258 LYS A C 1 ATOM 1351 O O . LYS A 1 191 ? -4.532 14.556 -45.147 1.00 37.36 ? 258 LYS A O 1 ATOM 1352 C CB . LYS A 1 191 ? -2.526 14.352 -43.032 1.00 48.92 ? 258 LYS A CB 1 ATOM 1353 C CG . LYS A 1 191 ? -1.025 14.216 -43.229 1.00 62.74 ? 258 LYS A CG 1 ATOM 1354 C CD . LYS A 1 191 ? -0.452 12.963 -42.577 1.00 75.00 ? 258 LYS A CD 1 ATOM 1355 C CE . LYS A 1 191 ? -0.497 13.065 -41.053 1.00 75.84 ? 258 LYS A CE 1 ATOM 1356 N NZ . LYS A 1 191 ? 0.302 12.000 -40.366 1.00 75.34 ? 258 LYS A NZ 1 ATOM 1357 N N . GLU A 1 192 ? -3.228 16.214 -45.916 1.00 40.86 ? 259 GLU A N 1 ATOM 1358 C CA . GLU A 1 192 ? -3.735 16.190 -47.300 1.00 44.11 ? 259 GLU A CA 1 ATOM 1359 C C . GLU A 1 192 ? -5.239 16.286 -47.345 1.00 43.26 ? 259 GLU A C 1 ATOM 1360 O O . GLU A 1 192 ? -5.894 15.536 -48.056 1.00 42.90 ? 259 GLU A O 1 ATOM 1361 C CB . GLU A 1 192 ? -3.272 14.946 -48.017 1.00 46.02 ? 259 GLU A CB 1 ATOM 1362 C CG . GLU A 1 192 ? -1.795 14.965 -48.349 1.00 55.96 ? 259 GLU A CG 1 ATOM 1363 C CD . GLU A 1 192 ? -1.384 13.712 -49.121 1.00 68.29 ? 259 GLU A CD 1 ATOM 1364 O OE1 . GLU A 1 192 ? -1.308 12.611 -48.508 1.00 82.62 ? 259 GLU A OE1 1 ATOM 1365 O OE2 . GLU A 1 192 ? -1.154 13.828 -50.341 1.00 71.76 ? 259 GLU A OE2 1 ATOM 1366 N N . GLY A 1 193 ? -5.781 17.159 -46.512 1.00 41.41 ? 260 GLY A N 1 ATOM 1367 C CA . GLY A 1 193 ? -7.215 17.302 -46.392 1.00 41.77 ? 260 GLY A CA 1 ATOM 1368 C C . GLY A 1 193 ? -8.026 16.300 -45.578 1.00 42.94 ? 260 GLY A C 1 ATOM 1369 O O . GLY A 1 193 ? -9.212 16.556 -45.325 1.00 45.01 ? 260 GLY A O 1 ATOM 1370 N N . LYS A 1 194 ? -7.423 15.203 -45.150 1.00 43.25 ? 261 LYS A N 1 ATOM 1371 C CA . LYS A 1 194 ? -8.079 14.235 -44.253 1.00 46.36 ? 261 LYS A CA 1 ATOM 1372 C C . LYS A 1 194 ? -7.835 14.583 -42.801 1.00 44.17 ? 261 LYS A C 1 ATOM 1373 O O . LYS A 1 194 ? -6.684 14.749 -42.337 1.00 41.55 ? 261 LYS A O 1 ATOM 1374 C CB . LYS A 1 194 ? -7.492 12.822 -44.395 1.00 54.44 ? 261 LYS A CB 1 ATOM 1375 C CG . LYS A 1 194 ? -7.445 12.265 -45.782 1.00 71.75 ? 261 LYS A CG 1 ATOM 1376 C CD . LYS A 1 194 ? -8.795 11.933 -46.364 1.00 85.04 ? 261 LYS A CD 1 ATOM 1377 C CE . LYS A 1 194 ? -8.610 11.590 -47.850 1.00 88.59 ? 261 LYS A CE 1 ATOM 1378 N NZ . LYS A 1 194 ? -9.924 11.315 -48.469 1.00 82.83 ? 261 LYS A NZ 1 ATOM 1379 N N . ILE A 1 195 ? -8.907 14.566 -42.031 1.00 43.15 ? 262 ILE A N 1 ATOM 1380 C CA . ILE A 1 195 ? -8.770 14.720 -40.588 1.00 40.65 ? 262 ILE A CA 1 ATOM 1381 C C . ILE A 1 195 ? -8.139 13.507 -39.950 1.00 44.63 ? 262 ILE A C 1 ATOM 1382 O O . ILE A 1 195 ? -8.706 12.441 -40.029 1.00 44.46 ? 262 ILE A O 1 ATOM 1383 C CB . ILE A 1 195 ? -10.141 14.944 -39.952 1.00 46.09 ? 262 ILE A CB 1 ATOM 1384 C CG1 . ILE A 1 195 ? -10.764 16.190 -40.591 1.00 45.22 ? 262 ILE A CG1 1 ATOM 1385 C CG2 . ILE A 1 195 ? -9.989 15.138 -38.446 1.00 44.90 ? 262 ILE A CG2 1 ATOM 1386 C CD1 . ILE A 1 195 ? -12.215 16.368 -40.277 1.00 52.36 ? 262 ILE A CD1 1 ATOM 1387 N N . VAL A 1 196 ? -6.972 13.642 -39.319 1.00 42.41 ? 263 VAL A N 1 ATOM 1388 C CA . VAL A 1 196 ? -6.336 12.464 -38.738 1.00 41.56 ? 263 VAL A CA 1 ATOM 1389 C C . VAL A 1 196 ? -6.433 12.409 -37.223 1.00 43.89 ? 263 VAL A C 1 ATOM 1390 O O . VAL A 1 196 ? -6.237 11.364 -36.658 1.00 42.05 ? 263 VAL A O 1 ATOM 1391 C CB . VAL A 1 196 ? -4.856 12.284 -39.168 1.00 45.00 ? 263 VAL A CB 1 ATOM 1392 C CG1 . VAL A 1 196 ? -4.774 12.051 -40.682 1.00 48.60 ? 263 VAL A CG1 1 ATOM 1393 C CG2 . VAL A 1 196 ? -3.986 13.464 -38.743 1.00 44.34 ? 263 VAL A CG2 1 ATOM 1394 N N . HIS A 1 197 ? -6.691 13.535 -36.562 1.00 42.83 ? 264 HIS A N 1 ATOM 1395 C CA . HIS A 1 197 ? -6.827 13.543 -35.117 1.00 41.46 ? 264 HIS A CA 1 ATOM 1396 C C . HIS A 1 197 ? -7.533 14.788 -34.709 1.00 39.94 ? 264 HIS A C 1 ATOM 1397 O O . HIS A 1 197 ? -7.464 15.801 -35.397 1.00 41.87 ? 264 HIS A O 1 ATOM 1398 C CB . HIS A 1 197 ? -5.459 13.472 -34.424 1.00 45.81 ? 264 HIS A CB 1 ATOM 1399 C CG . HIS A 1 197 ? -5.536 13.171 -32.961 1.00 52.70 ? 264 HIS A CG 1 ATOM 1400 N ND1 . HIS A 1 197 ? -5.589 14.153 -31.984 1.00 53.44 ? 264 HIS A ND1 1 ATOM 1401 C CD2 . HIS A 1 197 ? -5.641 11.993 -32.309 1.00 55.00 ? 264 HIS A CD2 1 ATOM 1402 C CE1 . HIS A 1 197 ? -5.691 13.590 -30.794 1.00 53.68 ? 264 HIS A CE1 1 ATOM 1403 N NE2 . HIS A 1 197 ? -5.732 12.282 -30.966 1.00 60.02 ? 264 HIS A NE2 1 ATOM 1404 N N . ILE A 1 198 ? -8.317 14.686 -33.650 1.00 37.99 ? 265 ILE A N 1 ATOM 1405 C CA . ILE A 1 198 ? -9.000 15.836 -33.052 1.00 39.75 ? 265 ILE A CA 1 ATOM 1406 C C . ILE A 1 198 ? -8.730 15.822 -31.530 1.00 44.64 ? 265 ILE A C 1 ATOM 1407 O O . ILE A 1 198 ? -8.994 14.841 -30.891 1.00 43.69 ? 265 ILE A O 1 ATOM 1408 C CB . ILE A 1 198 ? -10.496 15.772 -33.276 1.00 40.10 ? 265 ILE A CB 1 ATOM 1409 C CG1 . ILE A 1 198 ? -10.775 15.638 -34.765 1.00 42.50 ? 265 ILE A CG1 1 ATOM 1410 C CG2 . ILE A 1 198 ? -11.198 16.985 -32.684 1.00 43.16 ? 265 ILE A CG2 1 ATOM 1411 C CD1 . ILE A 1 198 ? -12.216 15.901 -35.162 1.00 45.38 ? 265 ILE A CD1 1 ATOM 1412 N N . SER A 1 199 ? -8.250 16.926 -30.968 1.00 41.75 ? 266 SER A N 1 ATOM 1413 C CA . SER A 1 199 ? -8.013 17.011 -29.549 1.00 45.84 ? 266 SER A CA 1 ATOM 1414 C C . SER A 1 199 ? -8.930 18.055 -28.943 1.00 48.28 ? 266 SER A C 1 ATOM 1415 O O . SER A 1 199 ? -9.184 19.095 -29.535 1.00 41.27 ? 266 SER A O 1 ATOM 1416 C CB . SER A 1 199 ? -6.593 17.461 -29.234 1.00 48.18 ? 266 SER A CB 1 ATOM 1417 O OG . SER A 1 199 ? -5.634 16.549 -29.699 1.00 51.56 ? 266 SER A OG 1 ATOM 1418 N N . PRO A 1 200 ? -9.402 17.794 -27.731 1.00 42.44 ? 267 PRO A N 1 ATOM 1419 C CA . PRO A 1 200 ? -10.204 18.817 -27.044 1.00 41.86 ? 267 PRO A CA 1 ATOM 1420 C C . PRO A 1 200 ? -9.311 19.910 -26.507 1.00 43.78 ? 267 PRO A C 1 ATOM 1421 O O . PRO A 1 200 ? -8.142 19.683 -26.248 1.00 43.07 ? 267 PRO A O 1 ATOM 1422 C CB . PRO A 1 200 ? -10.850 18.042 -25.874 1.00 39.03 ? 267 PRO A CB 1 ATOM 1423 C CG . PRO A 1 200 ? -9.850 16.948 -25.589 1.00 40.93 ? 267 PRO A CG 1 ATOM 1424 C CD . PRO A 1 200 ? -9.196 16.593 -26.922 1.00 40.17 ? 267 PRO A CD 1 ATOM 1425 N N . LEU A 1 201 ? -9.886 21.081 -26.326 1.00 45.18 ? 268 LEU A N 1 ATOM 1426 C CA . LEU A 1 201 ? -9.203 22.114 -25.628 1.00 50.15 ? 268 LEU A CA 1 ATOM 1427 C C . LEU A 1 201 ? -8.897 21.700 -24.225 1.00 49.96 ? 268 LEU A C 1 ATOM 1428 O O . LEU A 1 201 ? -9.705 21.142 -23.544 1.00 49.50 ? 268 LEU A O 1 ATOM 1429 C CB . LEU A 1 201 ? -10.050 23.369 -25.545 1.00 52.06 ? 268 LEU A CB 1 ATOM 1430 C CG . LEU A 1 201 ? -9.412 24.521 -24.750 1.00 49.20 ? 268 LEU A CG 1 ATOM 1431 C CD1 . LEU A 1 201 ? -8.213 25.040 -25.510 1.00 48.39 ? 268 LEU A CD1 1 ATOM 1432 C CD2 . LEU A 1 201 ? -10.435 25.619 -24.558 1.00 55.94 ? 268 LEU A CD2 1 ATOM 1433 N N . SER A 1 202 ? -7.733 22.076 -23.759 1.00 53.10 ? 269 SER A N 1 ATOM 1434 C CA . SER A 1 202 ? -7.364 21.787 -22.407 1.00 53.12 ? 269 SER A CA 1 ATOM 1435 C C . SER A 1 202 ? -6.579 23.005 -21.820 1.00 51.43 ? 269 SER A C 1 ATOM 1436 O O . SER A 1 202 ? -6.102 23.877 -22.576 1.00 52.27 ? 269 SER A O 1 ATOM 1437 C CB . SER A 1 202 ? -6.566 20.512 -22.541 1.00 53.17 ? 269 SER A CB 1 ATOM 1438 O OG . SER A 1 202 ? -6.171 20.048 -21.352 1.00 59.87 ? 269 SER A OG 1 ATOM 1439 N N . GLY A 1 203 ? -6.463 23.084 -20.492 1.00 48.87 ? 270 GLY A N 1 ATOM 1440 C CA . GLY A 1 203 ? -5.764 24.204 -19.794 1.00 42.09 ? 270 GLY A CA 1 ATOM 1441 C C . GLY A 1 203 ? -6.742 25.179 -19.158 1.00 41.73 ? 270 GLY A C 1 ATOM 1442 O O . GLY A 1 203 ? -7.819 24.783 -18.812 1.00 44.16 ? 270 GLY A O 1 ATOM 1443 N N . SER A 1 204 ? -6.404 26.468 -19.022 1.00 43.44 ? 271 SER A N 1 ATOM 1444 C CA . SER A 1 204 ? -7.304 27.414 -18.299 1.00 43.46 ? 271 SER A CA 1 ATOM 1445 C C . SER A 1 204 ? -8.088 28.451 -19.134 1.00 45.66 ? 271 SER A C 1 ATOM 1446 O O . SER A 1 204 ? -8.861 29.254 -18.589 1.00 44.02 ? 271 SER A O 1 ATOM 1447 C CB . SER A 1 204 ? -6.516 28.139 -17.205 1.00 47.20 ? 271 SER A CB 1 ATOM 1448 O OG . SER A 1 204 ? -5.431 28.901 -17.734 1.00 46.14 ? 271 SER A OG 1 ATOM 1449 N N . ALA A 1 205 ? -7.912 28.439 -20.452 1.00 43.58 ? 272 ALA A N 1 ATOM 1450 C CA . ALA A 1 205 ? -8.654 29.370 -21.306 1.00 47.10 ? 272 ALA A CA 1 ATOM 1451 C C . ALA A 1 205 ? -10.129 29.014 -21.277 1.00 47.40 ? 272 ALA A C 1 ATOM 1452 O O . ALA A 1 205 ? -10.461 27.857 -21.405 1.00 47.39 ? 272 ALA A O 1 ATOM 1453 C CB . ALA A 1 205 ? -8.107 29.319 -22.737 1.00 46.17 ? 272 ALA A CB 1 ATOM 1454 N N . GLN A 1 206 ? -11.025 29.980 -21.283 1.00 52.14 ? 273 GLN A N 1 ATOM 1455 C CA . GLN A 1 206 ? -12.434 29.628 -21.070 1.00 54.21 ? 273 GLN A CA 1 ATOM 1456 C C . GLN A 1 206 ? -13.413 29.774 -22.214 1.00 60.91 ? 273 GLN A C 1 ATOM 1457 O O . GLN A 1 206 ? -14.389 29.005 -22.277 1.00 64.77 ? 273 GLN A O 1 ATOM 1458 C CB . GLN A 1 206 ? -12.964 30.355 -19.873 1.00 53.20 ? 273 GLN A CB 1 ATOM 1459 C CG . GLN A 1 206 ? -12.520 29.645 -18.624 1.00 61.37 ? 273 GLN A CG 1 ATOM 1460 C CD . GLN A 1 206 ? -12.870 30.400 -17.403 1.00 65.54 ? 273 GLN A CD 1 ATOM 1461 O OE1 . GLN A 1 206 ? -12.032 30.604 -16.531 1.00 74.44 ? 273 GLN A OE1 1 ATOM 1462 N NE2 . GLN A 1 206 ? -14.112 30.867 -17.336 1.00 64.43 ? 273 GLN A NE2 1 ATOM 1463 N N . HIS A 1 207 ? -13.223 30.745 -23.097 1.00 55.22 ? 274 HIS A N 1 ATOM 1464 C CA . HIS A 1 207 ? -14.177 30.947 -24.205 1.00 55.11 ? 274 HIS A CA 1 ATOM 1465 C C . HIS A 1 207 ? -13.124 31.295 -25.243 1.00 60.58 ? 274 HIS A C 1 ATOM 1466 O O . HIS A 1 207 ? -12.197 32.047 -24.949 1.00 63.64 ? 274 HIS A O 1 ATOM 1467 C CB . HIS A 1 207 ? -15.189 32.092 -23.951 1.00 57.16 ? 274 HIS A CB 1 ATOM 1468 C CG . HIS A 1 207 ? -15.931 31.975 -22.654 1.00 76.94 ? 274 HIS A CG 1 ATOM 1469 N ND1 . HIS A 1 207 ? -17.204 31.445 -22.568 1.00 90.20 ? 274 HIS A ND1 1 ATOM 1470 C CD2 . HIS A 1 207 ? -15.587 32.334 -21.387 1.00 86.20 ? 274 HIS A CD2 1 ATOM 1471 C CE1 . HIS A 1 207 ? -17.605 31.469 -21.306 1.00 97.59 ? 274 HIS A CE1 1 ATOM 1472 N NE2 . HIS A 1 207 ? -16.645 32.005 -20.570 1.00 96.63 ? 274 HIS A NE2 1 ATOM 1473 N N . ILE A 1 208 ? -13.146 30.580 -26.348 1.00 55.08 ? 275 ILE A N 1 ATOM 1474 C CA . ILE A 1 208 ? -12.228 30.755 -27.437 1.00 47.55 ? 275 ILE A CA 1 ATOM 1475 C C . ILE A 1 208 ? -12.976 30.920 -28.750 1.00 51.05 ? 275 ILE A C 1 ATOM 1476 O O . ILE A 1 208 ? -13.817 30.095 -29.112 1.00 41.93 ? 275 ILE A O 1 ATOM 1477 C CB . ILE A 1 208 ? -11.369 29.515 -27.611 1.00 47.93 ? 275 ILE A CB 1 ATOM 1478 C CG1 . ILE A 1 208 ? -10.541 29.239 -26.347 1.00 51.32 ? 275 ILE A CG1 1 ATOM 1479 C CG2 . ILE A 1 208 ? -10.527 29.637 -28.875 1.00 50.32 ? 275 ILE A CG2 1 ATOM 1480 C CD1 . ILE A 1 208 ? -9.159 29.805 -26.352 1.00 53.58 ? 275 ILE A CD1 1 ATOM 1481 N N . GLU A 1 209 ? -12.575 31.955 -29.475 1.00 48.53 ? 276 GLU A N 1 ATOM 1482 C CA . GLU A 1 209 ? -13.065 32.272 -30.783 1.00 49.31 ? 276 GLU A CA 1 ATOM 1483 C C . GLU A 1 209 ? -11.890 32.808 -31.641 1.00 40.89 ? 276 GLU A C 1 ATOM 1484 O O . GLU A 1 209 ? -10.952 33.456 -31.156 1.00 39.72 ? 276 GLU A O 1 ATOM 1485 C CB . GLU A 1 209 ? -14.076 33.449 -30.655 1.00 65.11 ? 276 GLU A CB 1 ATOM 1486 C CG . GLU A 1 209 ? -15.600 33.305 -30.814 1.00 80.13 ? 276 GLU A CG 1 ATOM 1487 C CD . GLU A 1 209 ? -16.201 32.098 -30.183 1.00 82.09 ? 276 GLU A CD 1 ATOM 1488 O OE1 . GLU A 1 209 ? -16.225 32.051 -28.952 1.00 102.93 ? 276 GLU A OE1 1 ATOM 1489 O OE2 . GLU A 1 209 ? -16.676 31.216 -30.912 1.00 96.52 ? 276 GLU A OE2 1 ATOM 1490 N N . GLU A 1 210 ? -11.988 32.567 -32.921 1.00 36.89 ? 277 GLU A N 1 ATOM 1491 C CA . GLU A 1 210 ? -11.230 33.290 -33.948 1.00 36.81 ? 277 GLU A CA 1 ATOM 1492 C C . GLU A 1 210 ? -9.735 33.380 -33.678 1.00 35.14 ? 277 GLU A C 1 ATOM 1493 O O . GLU A 1 210 ? -9.126 34.465 -33.659 1.00 40.33 ? 277 GLU A O 1 ATOM 1494 C CB . GLU A 1 210 ? -11.880 34.652 -34.133 1.00 38.45 ? 277 GLU A CB 1 ATOM 1495 C CG . GLU A 1 210 ? -13.299 34.568 -34.715 1.00 37.60 ? 277 GLU A CG 1 ATOM 1496 C CD . GLU A 1 210 ? -14.111 35.863 -34.613 1.00 43.47 ? 277 GLU A CD 1 ATOM 1497 O OE1 . GLU A 1 210 ? -13.627 36.816 -33.932 1.00 43.90 ? 277 GLU A OE1 1 ATOM 1498 O OE2 . GLU A 1 210 ? -15.192 35.996 -35.298 1.00 41.77 ? 277 GLU A OE2 1 ATOM 1499 N N . CYS A 1 211 ? -9.122 32.224 -33.495 1.00 36.92 ? 278 CYS A N 1 ATOM 1500 C CA . CYS A 1 211 ? -7.703 32.147 -33.194 1.00 39.66 ? 278 CYS A CA 1 ATOM 1501 C C . CYS A 1 211 ? -6.805 32.641 -34.378 1.00 41.14 ? 278 CYS A C 1 ATOM 1502 O O . CYS A 1 211 ? -7.078 32.328 -35.516 1.00 38.82 ? 278 CYS A O 1 ATOM 1503 C CB . CYS A 1 211 ? -7.353 30.727 -32.853 1.00 39.89 ? 278 CYS A CB 1 ATOM 1504 S SG . CYS A 1 211 ? -8.085 30.205 -31.296 1.00 49.76 ? 278 CYS A SG 1 ATOM 1505 N N . SER A 1 212 ? -5.812 33.474 -34.054 1.00 35.86 ? 279 SER A N 1 ATOM 1506 C CA . SER A 1 212 ? -4.690 33.765 -34.919 1.00 34.54 ? 279 SER A CA 1 ATOM 1507 C C . SER A 1 212 ? -3.513 32.973 -34.512 1.00 35.96 ? 279 SER A C 1 ATOM 1508 O O . SER A 1 212 ? -2.943 33.197 -33.427 1.00 41.93 ? 279 SER A O 1 ATOM 1509 C CB . SER A 1 212 ? -4.322 35.264 -34.873 1.00 35.76 ? 279 SER A CB 1 ATOM 1510 O OG . SER A 1 212 ? -5.474 36.065 -34.996 1.00 40.76 ? 279 SER A OG 1 ATOM 1511 N N . CYS A 1 213 ? -3.115 32.077 -35.396 1.00 37.41 ? 280 CYS A N 1 ATOM 1512 C CA . CYS A 1 213 ? -2.100 31.063 -35.115 1.00 35.90 ? 280 CYS A CA 1 ATOM 1513 C C . CYS A 1 213 ? -0.841 31.247 -35.945 1.00 40.85 ? 280 CYS A C 1 ATOM 1514 O O . CYS A 1 213 ? -0.871 31.788 -37.054 1.00 38.33 ? 280 CYS A O 1 ATOM 1515 C CB . CYS A 1 213 ? -2.677 29.674 -35.400 1.00 38.53 ? 280 CYS A CB 1 ATOM 1516 S SG . CYS A 1 213 ? -4.192 29.306 -34.453 1.00 40.53 ? 280 CYS A SG 1 ATOM 1517 N N . TYR A 1 214 ? 0.273 30.752 -35.388 1.00 41.34 ? 281 TYR A N 1 ATOM 1518 C CA . TYR A 1 214 ? 1.545 30.798 -36.023 1.00 34.98 ? 281 TYR A CA 1 ATOM 1519 C C . TYR A 1 214 ? 2.461 29.658 -35.641 1.00 41.35 ? 281 TYR A C 1 ATOM 1520 O O . TYR A 1 214 ? 2.345 29.074 -34.560 1.00 38.33 ? 281 TYR A O 1 ATOM 1521 C CB . TYR A 1 214 ? 2.221 32.115 -35.701 1.00 41.57 ? 281 TYR A CB 1 ATOM 1522 C CG . TYR A 1 214 ? 2.531 32.409 -34.244 1.00 40.40 ? 281 TYR A CG 1 ATOM 1523 C CD1 . TYR A 1 214 ? 3.801 32.154 -33.704 1.00 37.41 ? 281 TYR A CD1 1 ATOM 1524 C CD2 . TYR A 1 214 ? 1.587 33.017 -33.419 1.00 41.28 ? 281 TYR A CD2 1 ATOM 1525 C CE1 . TYR A 1 214 ? 4.098 32.454 -32.375 1.00 37.38 ? 281 TYR A CE1 1 ATOM 1526 C CE2 . TYR A 1 214 ? 1.889 33.326 -32.089 1.00 41.15 ? 281 TYR A CE2 1 ATOM 1527 C CZ . TYR A 1 214 ? 3.133 33.012 -31.570 1.00 37.35 ? 281 TYR A CZ 1 ATOM 1528 O OH . TYR A 1 214 ? 3.406 33.327 -30.278 1.00 41.31 ? 281 TYR A OH 1 ATOM 1529 N N . PRO A 1 215 ? 3.357 29.292 -36.565 1.00 41.15 ? 282 PRO A N 1 ATOM 1530 C CA . PRO A 1 215 ? 4.282 28.235 -36.302 1.00 43.16 ? 282 PRO A CA 1 ATOM 1531 C C . PRO A 1 215 ? 5.354 28.704 -35.363 1.00 41.02 ? 282 PRO A C 1 ATOM 1532 O O . PRO A 1 215 ? 5.857 29.831 -35.486 1.00 44.53 ? 282 PRO A O 1 ATOM 1533 C CB . PRO A 1 215 ? 4.865 27.890 -37.688 1.00 41.87 ? 282 PRO A CB 1 ATOM 1534 C CG . PRO A 1 215 ? 4.725 29.134 -38.480 1.00 40.61 ? 282 PRO A CG 1 ATOM 1535 C CD . PRO A 1 215 ? 3.492 29.816 -37.925 1.00 43.75 ? 282 PRO A CD 1 ATOM 1536 N N . ARG A 1 216 ? 5.705 27.808 -34.455 1.00 38.63 ? 283 ARG A N 1 ATOM 1537 C CA . ARG A 1 216 ? 6.793 28.028 -33.461 1.00 42.69 ? 283 ARG A CA 1 ATOM 1538 C C . ARG A 1 216 ? 7.467 26.691 -33.259 1.00 40.56 ? 283 ARG A C 1 ATOM 1539 O O . ARG A 1 216 ? 7.212 25.970 -32.297 1.00 40.57 ? 283 ARG A O 1 ATOM 1540 C CB . ARG A 1 216 ? 6.161 28.544 -32.173 1.00 44.45 ? 283 ARG A CB 1 ATOM 1541 C CG . ARG A 1 216 ? 7.131 29.003 -31.155 1.00 43.83 ? 283 ARG A CG 1 ATOM 1542 C CD . ARG A 1 216 ? 6.332 29.648 -30.027 1.00 48.34 ? 283 ARG A CD 1 ATOM 1543 N NE . ARG A 1 216 ? 7.238 30.270 -29.078 1.00 51.64 ? 283 ARG A NE 1 ATOM 1544 C CZ . ARG A 1 216 ? 7.972 29.600 -28.187 1.00 53.92 ? 283 ARG A CZ 1 ATOM 1545 N NH1 . ARG A 1 216 ? 7.857 28.283 -28.057 1.00 54.20 ? 283 ARG A NH1 1 ATOM 1546 N NH2 . ARG A 1 216 ? 8.785 30.252 -27.402 1.00 52.01 ? 283 ARG A NH2 1 ATOM 1547 N N . TYR A 1 217 ? 8.249 26.341 -34.258 1.00 42.52 ? 284 TYR A N 1 ATOM 1548 C CA . TYR A 1 217 ? 8.738 25.000 -34.480 1.00 47.89 ? 284 TYR A CA 1 ATOM 1549 C C . TYR A 1 217 ? 9.316 24.368 -33.205 1.00 46.78 ? 284 TYR A C 1 ATOM 1550 O O . TYR A 1 217 ? 10.006 25.018 -32.484 1.00 47.79 ? 284 TYR A O 1 ATOM 1551 C CB . TYR A 1 217 ? 9.826 25.008 -35.596 1.00 50.40 ? 284 TYR A CB 1 ATOM 1552 C CG . TYR A 1 217 ? 10.274 23.610 -35.963 1.00 52.37 ? 284 TYR A CG 1 ATOM 1553 C CD1 . TYR A 1 217 ? 9.566 22.876 -36.901 1.00 49.02 ? 284 TYR A CD1 1 ATOM 1554 C CD2 . TYR A 1 217 ? 11.375 22.999 -35.315 1.00 51.31 ? 284 TYR A CD2 1 ATOM 1555 C CE1 . TYR A 1 217 ? 9.948 21.589 -37.234 1.00 55.37 ? 284 TYR A CE1 1 ATOM 1556 C CE2 . TYR A 1 217 ? 11.761 21.704 -35.631 1.00 54.74 ? 284 TYR A CE2 1 ATOM 1557 C CZ . TYR A 1 217 ? 11.051 21.002 -36.581 1.00 58.61 ? 284 TYR A CZ 1 ATOM 1558 O OH . TYR A 1 217 ? 11.404 19.713 -36.902 1.00 68.61 ? 284 TYR A OH 1 ATOM 1559 N N . PRO A 1 218 ? 9.006 23.103 -32.918 1.00 50.54 ? 285 PRO A N 1 ATOM 1560 C CA . PRO A 1 218 ? 8.172 22.128 -33.659 1.00 53.25 ? 285 PRO A CA 1 ATOM 1561 C C . PRO A 1 218 ? 6.656 22.252 -33.435 1.00 49.18 ? 285 PRO A C 1 ATOM 1562 O O . PRO A 1 218 ? 5.921 21.423 -33.902 1.00 52.34 ? 285 PRO A O 1 ATOM 1563 C CB . PRO A 1 218 ? 8.643 20.789 -33.071 1.00 51.66 ? 285 PRO A CB 1 ATOM 1564 C CG . PRO A 1 218 ? 8.891 21.147 -31.621 1.00 52.74 ? 285 PRO A CG 1 ATOM 1565 C CD . PRO A 1 218 ? 9.431 22.561 -31.607 1.00 51.81 ? 285 PRO A CD 1 ATOM 1566 N N . ASP A 1 219 ? 6.202 23.289 -32.736 1.00 51.08 ? 286 ASP A N 1 ATOM 1567 C CA . ASP A 1 219 ? 4.785 23.440 -32.383 1.00 48.53 ? 286 ASP A CA 1 ATOM 1568 C C . ASP A 1 219 ? 4.047 24.586 -33.081 1.00 47.58 ? 286 ASP A C 1 ATOM 1569 O O . ASP A 1 219 ? 4.612 25.249 -33.964 1.00 41.05 ? 286 ASP A O 1 ATOM 1570 C CB . ASP A 1 219 ? 4.691 23.539 -30.868 1.00 50.97 ? 286 ASP A CB 1 ATOM 1571 C CG . ASP A 1 219 ? 5.310 22.297 -30.205 1.00 63.85 ? 286 ASP A CG 1 ATOM 1572 O OD1 . ASP A 1 219 ? 5.011 21.150 -30.668 1.00 61.88 ? 286 ASP A OD1 1 ATOM 1573 O OD2 . ASP A 1 219 ? 6.183 22.480 -29.320 1.00 69.63 ? 286 ASP A OD2 1 ATOM 1574 N N . VAL A 1 220 ? 2.804 24.797 -32.651 1.00 40.08 ? 287 VAL A N 1 ATOM 1575 C CA . VAL A 1 220 ? 1.981 25.876 -33.090 1.00 38.61 ? 287 VAL A CA 1 ATOM 1576 C C . VAL A 1 220 ? 1.406 26.602 -31.912 1.00 39.42 ? 287 VAL A C 1 ATOM 1577 O O . VAL A 1 220 ? 1.056 26.014 -30.932 1.00 39.85 ? 287 VAL A O 1 ATOM 1578 C CB . VAL A 1 220 ? 0.832 25.387 -33.996 1.00 37.51 ? 287 VAL A CB 1 ATOM 1579 C CG1 . VAL A 1 220 ? -0.097 26.506 -34.337 1.00 38.33 ? 287 VAL A CG1 1 ATOM 1580 C CG2 . VAL A 1 220 ? 1.406 24.812 -35.280 1.00 37.86 ? 287 VAL A CG2 1 ATOM 1581 N N . ARG A 1 221 ? 1.315 27.930 -32.025 1.00 42.80 ? 288 ARG A N 1 ATOM 1582 C CA . ARG A 1 221 ? 0.782 28.738 -30.962 1.00 40.03 ? 288 ARG A CA 1 ATOM 1583 C C . ARG A 1 221 ? -0.286 29.689 -31.525 1.00 44.56 ? 288 ARG A C 1 ATOM 1584 O O . ARG A 1 221 ? -0.096 30.221 -32.605 1.00 44.49 ? 288 ARG A O 1 ATOM 1585 C CB . ARG A 1 221 ? 1.921 29.502 -30.361 1.00 42.47 ? 288 ARG A CB 1 ATOM 1586 C CG . ARG A 1 221 ? 1.516 30.480 -29.271 1.00 47.60 ? 288 ARG A CG 1 ATOM 1587 C CD . ARG A 1 221 ? 2.736 30.889 -28.445 1.00 48.66 ? 288 ARG A CD 1 ATOM 1588 N NE . ARG A 1 221 ? 3.102 29.882 -27.470 1.00 46.67 ? 288 ARG A NE 1 ATOM 1589 C CZ . ARG A 1 221 ? 4.193 29.921 -26.688 1.00 48.26 ? 288 ARG A CZ 1 ATOM 1590 N NH1 . ARG A 1 221 ? 5.071 30.890 -26.781 1.00 52.01 ? 288 ARG A NH1 1 ATOM 1591 N NH2 . ARG A 1 221 ? 4.402 28.970 -25.793 1.00 46.90 ? 288 ARG A NH2 1 ATOM 1592 N N . CYS A 1 222 ? -1.388 29.880 -30.779 1.00 40.54 ? 289 CYS A N 1 ATOM 1593 C CA . CYS A 1 222 ? -2.490 30.703 -31.161 1.00 39.35 ? 289 CYS A CA 1 ATOM 1594 C C . CYS A 1 222 ? -2.832 31.702 -30.102 1.00 39.27 ? 289 CYS A C 1 ATOM 1595 O O . CYS A 1 222 ? -2.725 31.415 -28.926 1.00 39.96 ? 289 CYS A O 1 ATOM 1596 C CB . CYS A 1 222 ? -3.741 29.860 -31.388 1.00 43.72 ? 289 CYS A CB 1 ATOM 1597 S SG . CYS A 1 222 ? -3.525 28.512 -32.547 1.00 46.93 ? 289 CYS A SG 1 ATOM 1598 N N . VAL A 1 223 ? -3.246 32.891 -30.540 1.00 43.00 ? 290 VAL A N 1 ATOM 1599 C CA . VAL A 1 223 ? -3.760 33.908 -29.656 1.00 41.22 ? 290 VAL A CA 1 ATOM 1600 C C . VAL A 1 223 ? -5.144 34.226 -30.173 1.00 40.17 ? 290 VAL A C 1 ATOM 1601 O O . VAL A 1 223 ? -5.327 34.472 -31.336 1.00 41.20 ? 290 VAL A O 1 ATOM 1602 C CB . VAL A 1 223 ? -2.894 35.143 -29.645 1.00 39.96 ? 290 VAL A CB 1 ATOM 1603 C CG1 . VAL A 1 223 ? -3.488 36.256 -28.795 1.00 43.17 ? 290 VAL A CG1 1 ATOM 1604 C CG2 . VAL A 1 223 ? -1.509 34.823 -29.111 1.00 46.08 ? 290 VAL A CG2 1 ATOM 1605 N N . CYS A 1 224 ? -6.101 34.226 -29.253 1.00 43.44 ? 291 CYS A N 1 ATOM 1606 C CA . CYS A 1 224 ? -7.477 34.175 -29.582 1.00 44.48 ? 291 CYS A CA 1 ATOM 1607 C C . CYS A 1 224 ? -8.297 35.320 -28.976 1.00 41.54 ? 291 CYS A C 1 ATOM 1608 O O . CYS A 1 224 ? -7.778 36.346 -28.495 1.00 40.02 ? 291 CYS A O 1 ATOM 1609 C CB . CYS A 1 224 ? -8.049 32.768 -29.203 1.00 44.69 ? 291 CYS A CB 1 ATOM 1610 S SG . CYS A 1 224 ? -7.019 31.354 -29.676 1.00 43.71 ? 291 CYS A SG 1 ATOM 1611 N N . ARG A 1 225 ? -9.603 35.179 -29.121 1.00 38.46 ? 292 ARG A N 1 ATOM 1612 C CA . ARG A 1 225 ? -10.588 36.129 -28.632 1.00 43.55 ? 292 ARG A CA 1 ATOM 1613 C C . ARG A 1 225 ? -11.481 35.426 -27.585 1.00 44.14 ? 292 ARG A C 1 ATOM 1614 O O . ARG A 1 225 ? -12.008 34.336 -27.845 1.00 42.93 ? 292 ARG A O 1 ATOM 1615 C CB . ARG A 1 225 ? -11.465 36.549 -29.820 1.00 45.96 ? 292 ARG A CB 1 ATOM 1616 C CG . ARG A 1 225 ? -12.715 37.350 -29.476 1.00 46.11 ? 292 ARG A CG 1 ATOM 1617 C CD . ARG A 1 225 ? -13.520 37.549 -30.737 1.00 42.90 ? 292 ARG A CD 1 ATOM 1618 N NE . ARG A 1 225 ? -14.817 38.137 -30.482 1.00 45.79 ? 292 ARG A NE 1 ATOM 1619 C CZ . ARG A 1 225 ? -15.664 38.553 -31.420 1.00 46.36 ? 292 ARG A CZ 1 ATOM 1620 N NH1 . ARG A 1 225 ? -15.369 38.480 -32.702 1.00 45.80 ? 292 ARG A NH1 1 ATOM 1621 N NH2 . ARG A 1 225 ? -16.822 39.068 -31.057 1.00 53.91 ? 292 ARG A NH2 1 ATOM 1622 N N . ASP A 1 226 ? -11.554 36.023 -26.411 1.00 48.20 ? 293 ASP A N 1 ATOM 1623 C CA . ASP A 1 226 ? -12.508 35.669 -25.334 1.00 44.67 ? 293 ASP A CA 1 ATOM 1624 C C . ASP A 1 226 ? -13.661 36.629 -25.521 1.00 44.90 ? 293 ASP A C 1 ATOM 1625 O O . ASP A 1 226 ? -13.590 37.837 -25.369 1.00 49.88 ? 293 ASP A O 1 ATOM 1626 C CB . ASP A 1 226 ? -11.877 35.804 -23.936 1.00 48.37 ? 293 ASP A CB 1 ATOM 1627 C CG . ASP A 1 226 ? -12.788 35.276 -22.787 1.00 53.13 ? 293 ASP A CG 1 ATOM 1628 O OD1 . ASP A 1 226 ? -14.002 35.588 -22.813 1.00 50.49 ? 293 ASP A OD1 1 ATOM 1629 O OD2 . ASP A 1 226 ? -12.266 34.580 -21.852 1.00 53.07 ? 293 ASP A OD2 1 ATOM 1630 N N . ASN A 1 227 ? -14.715 35.999 -25.889 1.00 46.68 ? 294 ASN A N 1 ATOM 1631 C CA . ASN A 1 227 ? -15.997 36.495 -26.272 1.00 51.52 ? 294 ASN A CA 1 ATOM 1632 C C . ASN A 1 227 ? -16.917 36.950 -25.130 1.00 54.41 ? 294 ASN A C 1 ATOM 1633 O O . ASN A 1 227 ? -17.921 37.594 -25.348 1.00 49.61 ? 294 ASN A O 1 ATOM 1634 C CB . ASN A 1 227 ? -16.629 35.211 -26.801 1.00 63.67 ? 294 ASN A CB 1 ATOM 1635 C CG . ASN A 1 227 ? -17.620 35.482 -27.807 1.00 79.42 ? 294 ASN A CG 1 ATOM 1636 O OD1 . ASN A 1 227 ? -17.543 36.506 -28.474 1.00 92.60 ? 294 ASN A OD1 1 ATOM 1637 N ND2 . ASN A 1 227 ? -18.553 34.570 -27.969 1.00 84.22 ? 294 ASN A ND2 1 ATOM 1638 N N . TRP A 1 228 ? -16.570 36.590 -23.905 1.00 51.69 ? 295 TRP A N 1 ATOM 1639 C CA . TRP A 1 228 ? -17.525 36.635 -22.835 1.00 57.53 ? 295 TRP A CA 1 ATOM 1640 C C . TRP A 1 228 ? -17.006 37.234 -21.519 1.00 55.91 ? 295 TRP A C 1 ATOM 1641 O O . TRP A 1 228 ? -17.648 38.118 -20.991 1.00 48.46 ? 295 TRP A O 1 ATOM 1642 C CB . TRP A 1 228 ? -18.074 35.232 -22.585 1.00 66.86 ? 295 TRP A CB 1 ATOM 1643 C CG . TRP A 1 228 ? -19.288 35.277 -21.696 1.00 81.91 ? 295 TRP A CG 1 ATOM 1644 C CD1 . TRP A 1 228 ? -19.445 34.648 -20.486 1.00 85.18 ? 295 TRP A CD1 1 ATOM 1645 C CD2 . TRP A 1 228 ? -20.485 36.053 -21.906 1.00 91.57 ? 295 TRP A CD2 1 ATOM 1646 N NE1 . TRP A 1 228 ? -20.680 34.971 -19.953 1.00 87.51 ? 295 TRP A NE1 1 ATOM 1647 C CE2 . TRP A 1 228 ? -21.327 35.842 -20.792 1.00 91.72 ? 295 TRP A CE2 1 ATOM 1648 C CE3 . TRP A 1 228 ? -20.928 36.898 -22.932 1.00 97.97 ? 295 TRP A CE3 1 ATOM 1649 C CZ2 . TRP A 1 228 ? -22.596 36.455 -20.677 1.00 95.85 ? 295 TRP A CZ2 1 ATOM 1650 C CZ3 . TRP A 1 228 ? -22.197 37.520 -22.821 1.00 98.11 ? 295 TRP A CZ3 1 ATOM 1651 C CH2 . TRP A 1 228 ? -23.011 37.290 -21.701 1.00 95.51 ? 295 TRP A CH2 1 ATOM 1652 N N . LYS A 1 229 ? -15.864 36.789 -21.015 1.00 52.03 ? 296 LYS A N 1 ATOM 1653 C CA . LYS A 1 229 ? -15.406 37.245 -19.717 1.00 59.12 ? 296 LYS A CA 1 ATOM 1654 C C . LYS A 1 229 ? -14.099 37.997 -19.648 1.00 58.87 ? 296 LYS A C 1 ATOM 1655 O O . LYS A 1 229 ? -13.801 38.573 -18.632 1.00 58.72 ? 296 LYS A O 1 ATOM 1656 C CB . LYS A 1 229 ? -15.312 36.059 -18.780 1.00 73.99 ? 296 LYS A CB 1 ATOM 1657 C CG . LYS A 1 229 ? -16.664 35.459 -18.527 1.00 85.61 ? 296 LYS A CG 1 ATOM 1658 C CD . LYS A 1 229 ? -17.205 35.977 -17.224 1.00 96.92 ? 296 LYS A CD 1 ATOM 1659 C CE . LYS A 1 229 ? -18.721 36.046 -17.262 1.00 97.19 ? 296 LYS A CE 1 ATOM 1660 N NZ . LYS A 1 229 ? -19.298 35.955 -15.899 1.00 100.03 ? 296 LYS A NZ 1 ATOM 1661 N N . GLY A 1 230 ? -13.319 37.997 -20.711 1.00 55.68 ? 297 GLY A N 1 ATOM 1662 C CA . GLY A 1 230 ? -11.977 38.558 -20.644 1.00 58.71 ? 297 GLY A CA 1 ATOM 1663 C C . GLY A 1 230 ? -11.712 39.538 -21.779 1.00 55.15 ? 297 GLY A C 1 ATOM 1664 O O . GLY A 1 230 ? -11.949 39.235 -22.945 1.00 51.21 ? 297 GLY A O 1 ATOM 1665 N N . SER A 1 231 ? -11.137 40.667 -21.429 1.00 46.56 ? 298 SER A N 1 ATOM 1666 C CA . SER A 1 231 ? -10.523 41.551 -22.385 1.00 45.61 ? 298 SER A CA 1 ATOM 1667 C C . SER A 1 231 ? -9.033 41.216 -22.544 1.00 46.37 ? 298 SER A C 1 ATOM 1668 O O . SER A 1 231 ? -8.334 41.797 -23.409 1.00 42.22 ? 298 SER A O 1 ATOM 1669 C CB . SER A 1 231 ? -10.727 43.026 -21.987 1.00 45.12 ? 298 SER A CB 1 ATOM 1670 O OG . SER A 1 231 ? -10.305 43.275 -20.660 1.00 51.99 ? 298 SER A OG 1 ATOM 1671 N N . ASN A 1 232 ? -8.533 40.302 -21.718 1.00 41.35 ? 299 ASN A N 1 ATOM 1672 C CA . ASN A 1 232 ? -7.202 39.714 -21.969 1.00 43.15 ? 299 ASN A CA 1 ATOM 1673 C C . ASN A 1 232 ? -7.379 38.535 -22.937 1.00 45.89 ? 299 ASN A C 1 ATOM 1674 O O . ASN A 1 232 ? -8.417 37.869 -22.915 1.00 43.43 ? 299 ASN A O 1 ATOM 1675 C CB . ASN A 1 232 ? -6.450 39.329 -20.677 1.00 44.60 ? 299 ASN A CB 1 ATOM 1676 C CG . ASN A 1 232 ? -7.294 38.478 -19.696 1.00 45.54 ? 299 ASN A CG 1 ATOM 1677 O OD1 . ASN A 1 232 ? -8.529 38.422 -19.740 1.00 42.64 ? 299 ASN A OD1 1 ATOM 1678 N ND2 . ASN A 1 232 ? -6.603 37.765 -18.853 1.00 46.09 ? 299 ASN A ND2 1 ATOM 1679 N N . ARG A 1 233 ? -6.405 38.321 -23.828 1.00 41.92 ? 300 ARG A N 1 ATOM 1680 C CA . ARG A 1 233 ? -6.561 37.337 -24.869 1.00 41.14 ? 300 ARG A CA 1 ATOM 1681 C C . ARG A 1 233 ? -6.108 35.933 -24.428 1.00 39.26 ? 300 ARG A C 1 ATOM 1682 O O . ARG A 1 233 ? -5.040 35.754 -23.872 1.00 40.20 ? 300 ARG A O 1 ATOM 1683 C CB . ARG A 1 233 ? -5.810 37.766 -26.145 1.00 43.99 ? 300 ARG A CB 1 ATOM 1684 C CG . ARG A 1 233 ? -6.405 38.964 -26.859 1.00 41.04 ? 300 ARG A CG 1 ATOM 1685 C CD . ARG A 1 233 ? -5.856 39.137 -28.261 1.00 42.63 ? 300 ARG A CD 1 ATOM 1686 N NE . ARG A 1 233 ? -6.516 40.241 -28.965 1.00 42.95 ? 300 ARG A NE 1 ATOM 1687 C CZ . ARG A 1 233 ? -7.736 40.184 -29.493 1.00 40.12 ? 300 ARG A CZ 1 ATOM 1688 N NH1 . ARG A 1 233 ? -8.448 39.087 -29.415 1.00 47.98 ? 300 ARG A NH1 1 ATOM 1689 N NH2 . ARG A 1 233 ? -8.266 41.245 -30.066 1.00 40.81 ? 300 ARG A NH2 1 ATOM 1690 N N . PRO A 1 234 ? -6.888 34.913 -24.761 1.00 42.44 ? 301 PRO A N 1 ATOM 1691 C CA . PRO A 1 234 ? -6.451 33.533 -24.560 1.00 44.43 ? 301 PRO A CA 1 ATOM 1692 C C . PRO A 1 234 ? -5.294 33.097 -25.457 1.00 42.61 ? 301 PRO A C 1 ATOM 1693 O O . PRO A 1 234 ? -5.132 33.589 -26.553 1.00 44.53 ? 301 PRO A O 1 ATOM 1694 C CB . PRO A 1 234 ? -7.681 32.697 -24.938 1.00 43.68 ? 301 PRO A CB 1 ATOM 1695 C CG . PRO A 1 234 ? -8.794 33.647 -25.040 1.00 45.87 ? 301 PRO A CG 1 ATOM 1696 C CD . PRO A 1 234 ? -8.229 34.988 -25.351 1.00 43.12 ? 301 PRO A CD 1 ATOM 1697 N N . VAL A 1 235 ? -4.500 32.179 -24.959 1.00 42.68 ? 302 VAL A N 1 ATOM 1698 C CA . VAL A 1 235 ? -3.394 31.616 -25.705 1.00 43.62 ? 302 VAL A CA 1 ATOM 1699 C C . VAL A 1 235 ? -3.550 30.116 -25.715 1.00 42.81 ? 302 VAL A C 1 ATOM 1700 O O . VAL A 1 235 ? -3.856 29.532 -24.684 1.00 46.75 ? 302 VAL A O 1 ATOM 1701 C CB . VAL A 1 235 ? -2.072 31.926 -25.029 1.00 42.26 ? 302 VAL A CB 1 ATOM 1702 C CG1 . VAL A 1 235 ? -0.911 31.411 -25.882 1.00 45.40 ? 302 VAL A CG1 1 ATOM 1703 C CG2 . VAL A 1 235 ? -1.976 33.415 -24.901 1.00 49.20 ? 302 VAL A CG2 1 ATOM 1704 N N . ILE A 1 236 ? -3.356 29.510 -26.872 1.00 38.95 ? 303 ILE A N 1 ATOM 1705 C CA . ILE A 1 236 ? -3.412 28.078 -26.975 1.00 40.13 ? 303 ILE A CA 1 ATOM 1706 C C . ILE A 1 236 ? -2.133 27.546 -27.553 1.00 43.63 ? 303 ILE A C 1 ATOM 1707 O O . ILE A 1 236 ? -1.738 27.937 -28.638 1.00 53.94 ? 303 ILE A O 1 ATOM 1708 C CB . ILE A 1 236 ? -4.617 27.676 -27.866 1.00 32.19 ? 303 ILE A CB 1 ATOM 1709 C CG1 . ILE A 1 236 ? -5.885 28.172 -27.160 1.00 35.23 ? 303 ILE A CG1 1 ATOM 1710 C CG2 . ILE A 1 236 ? -4.650 26.144 -27.931 1.00 34.43 ? 303 ILE A CG2 1 ATOM 1711 C CD1 . ILE A 1 236 ? -7.057 28.010 -28.111 1.00 40.50 ? 303 ILE A CD1 1 ATOM 1712 N N . ASP A 1 237 ? -1.522 26.595 -26.848 1.00 46.95 ? 304 ASP A N 1 ATOM 1713 C CA . ASP A 1 237 ? -0.340 25.840 -27.373 1.00 48.42 ? 304 ASP A CA 1 ATOM 1714 C C . ASP A 1 237 ? -0.696 24.472 -27.876 1.00 46.38 ? 304 ASP A C 1 ATOM 1715 O O . ASP A 1 237 ? -1.447 23.734 -27.236 1.00 48.91 ? 304 ASP A O 1 ATOM 1716 C CB . ASP A 1 237 ? 0.754 25.625 -26.313 1.00 50.41 ? 304 ASP A CB 1 ATOM 1717 C CG . ASP A 1 237 ? 1.610 26.842 -26.126 1.00 53.85 ? 304 ASP A CG 1 ATOM 1718 O OD1 . ASP A 1 237 ? 1.752 27.643 -27.098 1.00 66.97 ? 304 ASP A OD1 1 ATOM 1719 O OD2 . ASP A 1 237 ? 2.165 27.040 -25.027 1.00 63.74 ? 304 ASP A OD2 1 ATOM 1720 N N . ILE A 1 238 ? -0.124 24.136 -29.023 1.00 43.73 ? 305 ILE A N 1 ATOM 1721 C CA . ILE A 1 238 ? -0.482 22.927 -29.734 1.00 44.95 ? 305 ILE A CA 1 ATOM 1722 C C . ILE A 1 238 ? 0.761 22.146 -30.050 1.00 45.58 ? 305 ILE A C 1 ATOM 1723 O O . ILE A 1 238 ? 1.605 22.589 -30.838 1.00 51.10 ? 305 ILE A O 1 ATOM 1724 C CB . ILE A 1 238 ? -1.200 23.229 -31.046 1.00 40.59 ? 305 ILE A CB 1 ATOM 1725 C CG1 . ILE A 1 238 ? -2.428 24.082 -30.792 1.00 39.60 ? 305 ILE A CG1 1 ATOM 1726 C CG2 . ILE A 1 238 ? -1.554 21.950 -31.820 1.00 41.81 ? 305 ILE A CG2 1 ATOM 1727 C CD1 . ILE A 1 238 ? -3.155 24.501 -32.086 1.00 38.98 ? 305 ILE A CD1 1 ATOM 1728 N N . ASN A 1 239 ? 0.848 20.955 -29.484 1.00 46.61 ? 306 ASN A N 1 ATOM 1729 C CA . ASN A 1 239 ? 2.021 20.087 -29.698 1.00 46.23 ? 306 ASN A CA 1 ATOM 1730 C C . ASN A 1 239 ? 1.803 19.219 -30.918 1.00 43.02 ? 306 ASN A C 1 ATOM 1731 O O . ASN A 1 239 ? 0.905 18.418 -30.940 1.00 45.55 ? 306 ASN A O 1 ATOM 1732 C CB . ASN A 1 239 ? 2.222 19.216 -28.492 1.00 51.16 ? 306 ASN A CB 1 ATOM 1733 C CG . ASN A 1 239 ? 3.493 18.416 -28.576 1.00 52.53 ? 306 ASN A CG 1 ATOM 1734 O OD1 . ASN A 1 239 ? 3.727 17.673 -29.531 1.00 58.79 ? 306 ASN A OD1 1 ATOM 1735 N ND2 . ASN A 1 239 ? 4.328 18.580 -27.593 1.00 52.17 ? 306 ASN A ND2 1 ATOM 1736 N N . MET A 1 240 ? 2.587 19.412 -31.958 1.00 45.57 ? 307 MET A N 1 ATOM 1737 C CA . MET A 1 240 ? 2.340 18.754 -33.251 1.00 47.01 ? 307 MET A CA 1 ATOM 1738 C C . MET A 1 240 ? 2.892 17.343 -33.282 1.00 51.07 ? 307 MET A C 1 ATOM 1739 O O . MET A 1 240 ? 2.578 16.606 -34.172 1.00 55.49 ? 307 MET A O 1 ATOM 1740 C CB . MET A 1 240 ? 2.937 19.565 -34.393 1.00 46.02 ? 307 MET A CB 1 ATOM 1741 C CG . MET A 1 240 ? 2.336 20.948 -34.503 1.00 49.16 ? 307 MET A CG 1 ATOM 1742 S SD . MET A 1 240 ? 0.644 21.006 -35.105 1.00 49.99 ? 307 MET A SD 1 ATOM 1743 C CE . MET A 1 240 ? 0.818 20.721 -36.870 1.00 54.35 ? 307 MET A CE 1 ATOM 1744 N N . ALA A 1 241 ? 3.673 16.960 -32.273 1.00 56.00 ? 308 ALA A N 1 ATOM 1745 C CA . ALA A 1 241 ? 4.281 15.630 -32.199 1.00 55.99 ? 308 ALA A CA 1 ATOM 1746 C C . ALA A 1 241 ? 3.346 14.641 -31.510 1.00 57.93 ? 308 ALA A C 1 ATOM 1747 O O . ALA A 1 241 ? 3.179 13.540 -31.993 1.00 60.02 ? 308 ALA A O 1 ATOM 1748 C CB . ALA A 1 241 ? 5.625 15.685 -31.444 1.00 44.50 ? 308 ALA A CB 1 ATOM 1749 N N . ASP A 1 242 ? 2.708 15.056 -30.416 1.00 50.53 ? 309 ASP A N 1 ATOM 1750 C CA . ASP A 1 242 ? 1.788 14.169 -29.683 1.00 48.61 ? 309 ASP A CA 1 ATOM 1751 C C . ASP A 1 242 ? 0.321 14.668 -29.577 1.00 45.53 ? 309 ASP A C 1 ATOM 1752 O O . ASP A 1 242 ? -0.503 14.048 -28.916 1.00 46.51 ? 309 ASP A O 1 ATOM 1753 C CB . ASP A 1 242 ? 2.382 13.866 -28.300 1.00 48.42 ? 309 ASP A CB 1 ATOM 1754 C CG . ASP A 1 242 ? 2.320 15.058 -27.320 1.00 54.39 ? 309 ASP A CG 1 ATOM 1755 O OD1 . ASP A 1 242 ? 1.720 16.096 -27.610 1.00 63.06 ? 309 ASP A OD1 1 ATOM 1756 O OD2 . ASP A 1 242 ? 2.871 14.945 -26.222 1.00 61.85 ? 309 ASP A OD2 1 ATOM 1757 N N . TYR A 1 243 ? 0.003 15.788 -30.220 1.00 45.37 ? 310 TYR A N 1 ATOM 1758 C CA . TYR A 1 243 ? -1.371 16.317 -30.311 1.00 47.51 ? 310 TYR A CA 1 ATOM 1759 C C . TYR A 1 243 ? -1.948 16.830 -29.004 1.00 45.75 ? 310 TYR A C 1 ATOM 1760 O O . TYR A 1 243 ? -3.145 17.057 -28.920 1.00 46.82 ? 310 TYR A O 1 ATOM 1761 C CB . TYR A 1 243 ? -2.336 15.265 -30.874 1.00 49.74 ? 310 TYR A CB 1 ATOM 1762 C CG . TYR A 1 243 ? -1.953 14.703 -32.218 1.00 52.22 ? 310 TYR A CG 1 ATOM 1763 C CD1 . TYR A 1 243 ? -1.497 15.526 -33.237 1.00 60.05 ? 310 TYR A CD1 1 ATOM 1764 C CD2 . TYR A 1 243 ? -2.062 13.347 -32.493 1.00 57.28 ? 310 TYR A CD2 1 ATOM 1765 C CE1 . TYR A 1 243 ? -1.154 15.013 -34.494 1.00 59.40 ? 310 TYR A CE1 1 ATOM 1766 C CE2 . TYR A 1 243 ? -1.730 12.825 -33.743 1.00 56.08 ? 310 TYR A CE2 1 ATOM 1767 C CZ . TYR A 1 243 ? -1.272 13.664 -34.733 1.00 54.02 ? 310 TYR A CZ 1 ATOM 1768 O OH . TYR A 1 243 ? -0.999 13.203 -35.973 1.00 58.39 ? 310 TYR A OH 1 ATOM 1769 N N . SER A 1 244 ? -1.120 17.031 -27.991 1.00 45.68 ? 311 SER A N 1 ATOM 1770 C CA . SER A 1 244 ? -1.599 17.551 -26.699 1.00 45.10 ? 311 SER A CA 1 ATOM 1771 C C . SER A 1 244 ? -1.662 19.097 -26.742 1.00 48.04 ? 311 SER A C 1 ATOM 1772 O O . SER A 1 244 ? -0.972 19.779 -27.546 1.00 43.51 ? 311 SER A O 1 ATOM 1773 C CB . SER A 1 244 ? -0.671 17.143 -25.562 1.00 49.49 ? 311 SER A CB 1 ATOM 1774 O OG . SER A 1 244 ? 0.665 17.658 -25.767 1.00 49.07 ? 311 SER A OG 1 ATOM 1775 N N . ILE A 1 245 ? -2.488 19.622 -25.863 1.00 40.55 ? 312 ILE A N 1 ATOM 1776 C CA . ILE A 1 245 ? -2.906 20.987 -25.877 1.00 41.29 ? 312 ILE A CA 1 ATOM 1777 C C . ILE A 1 245 ? -2.732 21.632 -24.508 1.00 41.97 ? 312 ILE A C 1 ATOM 1778 O O . ILE A 1 245 ? -3.042 21.019 -23.523 1.00 42.71 ? 312 ILE A O 1 ATOM 1779 C CB . ILE A 1 245 ? -4.426 21.072 -26.204 1.00 39.46 ? 312 ILE A CB 1 ATOM 1780 C CG1 . ILE A 1 245 ? -4.760 20.297 -27.487 1.00 39.67 ? 312 ILE A CG1 1 ATOM 1781 C CG2 . ILE A 1 245 ? -4.879 22.533 -26.366 1.00 41.50 ? 312 ILE A CG2 1 ATOM 1782 C CD1 . ILE A 1 245 ? -4.120 20.853 -28.777 1.00 39.06 ? 312 ILE A CD1 1 ATOM 1783 N N . ASP A 1 246 ? -2.329 22.897 -24.461 1.00 43.12 ? 313 ASP A N 1 ATOM 1784 C CA . ASP A 1 246 ? -2.413 23.678 -23.237 1.00 46.96 ? 313 ASP A CA 1 ATOM 1785 C C . ASP A 1 246 ? -2.870 25.113 -23.567 1.00 44.86 ? 313 ASP A C 1 ATOM 1786 O O . ASP A 1 246 ? -2.909 25.495 -24.711 1.00 51.44 ? 313 ASP A O 1 ATOM 1787 C CB . ASP A 1 246 ? -1.085 23.705 -22.502 1.00 49.34 ? 313 ASP A CB 1 ATOM 1788 C CG . ASP A 1 246 ? -1.243 23.889 -20.959 1.00 59.03 ? 313 ASP A CG 1 ATOM 1789 O OD1 . ASP A 1 246 ? -2.351 24.148 -20.436 1.00 58.00 ? 313 ASP A OD1 1 ATOM 1790 O OD2 . ASP A 1 246 ? -0.225 23.789 -20.248 1.00 66.87 ? 313 ASP A OD2 1 ATOM 1791 N N . SER A 1 247 ? -3.327 25.848 -22.557 1.00 42.27 ? 314 SER A N 1 ATOM 1792 C CA . SER A 1 247 ? -3.863 27.157 -22.776 1.00 41.25 ? 314 SER A CA 1 ATOM 1793 C C . SER A 1 247 ? -3.845 27.993 -21.504 1.00 44.70 ? 314 SER A C 1 ATOM 1794 O O . SER A 1 247 ? -3.916 27.472 -20.432 1.00 39.46 ? 314 SER A O 1 ATOM 1795 C CB . SER A 1 247 ? -5.295 27.091 -23.308 1.00 41.89 ? 314 SER A CB 1 ATOM 1796 O OG . SER A 1 247 ? -6.231 26.566 -22.367 1.00 35.40 ? 314 SER A OG 1 ATOM 1797 N N . SER A 1 248 ? -3.862 29.303 -21.691 1.00 43.92 ? 315 SER A N 1 ATOM 1798 C CA . SER A 1 248 ? -3.819 30.263 -20.633 1.00 45.94 ? 315 SER A CA 1 ATOM 1799 C C . SER A 1 248 ? -4.224 31.644 -21.244 1.00 45.74 ? 315 SER A C 1 ATOM 1800 O O . SER A 1 248 ? -4.965 31.661 -22.192 1.00 42.03 ? 315 SER A O 1 ATOM 1801 C CB . SER A 1 248 ? -2.406 30.288 -20.039 1.00 46.29 ? 315 SER A CB 1 ATOM 1802 O OG . SER A 1 248 ? -1.487 30.697 -21.036 1.00 44.53 ? 315 SER A OG 1 ATOM 1803 N N . TYR A 1 249 ? -3.778 32.762 -20.654 1.00 44.03 ? 316 TYR A N 1 ATOM 1804 C CA . TYR A 1 249 ? -4.058 34.095 -21.143 1.00 44.19 ? 316 TYR A CA 1 ATOM 1805 C C . TYR A 1 249 ? -2.744 34.856 -21.235 1.00 48.24 ? 316 TYR A C 1 ATOM 1806 O O . TYR A 1 249 ? -1.832 34.641 -20.439 1.00 43.85 ? 316 TYR A O 1 ATOM 1807 C CB . TYR A 1 249 ? -5.033 34.853 -20.224 1.00 43.26 ? 316 TYR A CB 1 ATOM 1808 C CG . TYR A 1 249 ? -6.457 34.383 -20.333 1.00 43.44 ? 316 TYR A CG 1 ATOM 1809 C CD1 . TYR A 1 249 ? -6.897 33.242 -19.689 1.00 42.92 ? 316 TYR A CD1 1 ATOM 1810 C CD2 . TYR A 1 249 ? -7.358 35.067 -21.128 1.00 48.72 ? 316 TYR A CD2 1 ATOM 1811 C CE1 . TYR A 1 249 ? -8.213 32.794 -19.830 1.00 45.32 ? 316 TYR A CE1 1 ATOM 1812 C CE2 . TYR A 1 249 ? -8.662 34.633 -21.292 1.00 48.02 ? 316 TYR A CE2 1 ATOM 1813 C CZ . TYR A 1 249 ? -9.093 33.510 -20.633 1.00 48.45 ? 316 TYR A CZ 1 ATOM 1814 O OH . TYR A 1 249 ? -10.371 33.096 -20.863 1.00 46.84 ? 316 TYR A OH 1 ATOM 1815 N N . VAL A 1 250 ? -2.651 35.718 -22.249 1.00 43.97 ? 317 VAL A N 1 ATOM 1816 C CA . VAL A 1 250 ? -1.515 36.619 -22.431 1.00 44.28 ? 317 VAL A CA 1 ATOM 1817 C C . VAL A 1 250 ? -1.269 37.404 -21.105 1.00 48.54 ? 317 VAL A C 1 ATOM 1818 O O . VAL A 1 250 ? -2.210 38.006 -20.535 1.00 44.28 ? 317 VAL A O 1 ATOM 1819 C CB . VAL A 1 250 ? -1.775 37.578 -23.621 1.00 43.35 ? 317 VAL A CB 1 ATOM 1820 C CG1 . VAL A 1 250 ? -0.675 38.608 -23.733 1.00 43.28 ? 317 VAL A CG1 1 ATOM 1821 C CG2 . VAL A 1 250 ? -1.908 36.811 -24.948 1.00 41.68 ? 317 VAL A CG2 1 ATOM 1822 N N . CYS A 1 251 ? -0.003 37.420 -20.672 1.00 46.88 ? 318 CYS A N 1 ATOM 1823 C CA . CYS A 1 251 ? 0.407 38.003 -19.381 1.00 51.44 ? 318 CYS A CA 1 ATOM 1824 C C . CYS A 1 251 ? 0.279 39.519 -19.287 1.00 55.61 ? 318 CYS A C 1 ATOM 1825 O O . CYS A 1 251 ? -0.133 40.038 -18.249 1.00 57.22 ? 318 CYS A O 1 ATOM 1826 C CB . CYS A 1 251 ? 1.858 37.630 -19.046 1.00 56.77 ? 318 CYS A CB 1 ATOM 1827 S SG . CYS A 1 251 ? 2.017 35.934 -18.444 1.00 67.94 ? 318 CYS A SG 1 ATOM 1828 N N . SER A 1 252 ? 0.594 40.201 -20.390 1.00 52.25 ? 319 SER A N 1 ATOM 1829 C CA . SER A 1 252 ? 0.561 41.649 -20.472 1.00 48.29 ? 319 SER A CA 1 ATOM 1830 C C . SER A 1 252 ? -0.648 42.326 -19.806 1.00 48.55 ? 319 SER A C 1 ATOM 1831 O O . SER A 1 252 ? -1.806 41.983 -20.080 1.00 47.96 ? 319 SER A O 1 ATOM 1832 C CB . SER A 1 252 ? 0.569 42.087 -21.925 1.00 47.59 ? 319 SER A CB 1 ATOM 1833 O OG . SER A 1 252 ? 0.442 43.496 -22.024 1.00 43.59 ? 319 SER A OG 1 ATOM 1834 N N . GLY A 1 253 ? -0.352 43.286 -18.933 1.00 47.33 ? 320 GLY A N 1 ATOM 1835 C CA . GLY A 1 253 ? -1.386 44.100 -18.325 1.00 45.53 ? 320 GLY A CA 1 ATOM 1836 C C . GLY A 1 253 ? -2.000 45.096 -19.325 1.00 47.28 ? 320 GLY A C 1 ATOM 1837 O O . GLY A 1 253 ? -3.045 45.688 -19.044 1.00 43.40 ? 320 GLY A O 1 ATOM 1838 N N . LEU A 1 254 ? -1.304 45.351 -20.436 1.00 42.35 ? 321 LEU A N 1 ATOM 1839 C CA . LEU A 1 254 ? -1.884 46.079 -21.570 1.00 47.60 ? 321 LEU A CA 1 ATOM 1840 C C . LEU A 1 254 ? -2.595 45.046 -22.435 1.00 45.87 ? 321 LEU A C 1 ATOM 1841 O O . LEU A 1 254 ? -1.952 44.223 -23.107 1.00 41.62 ? 321 LEU A O 1 ATOM 1842 C CB . LEU A 1 254 ? -0.799 46.832 -22.392 1.00 50.17 ? 321 LEU A CB 1 ATOM 1843 C CG . LEU A 1 254 ? 0.004 47.864 -21.576 1.00 49.83 ? 321 LEU A CG 1 ATOM 1844 C CD1 . LEU A 1 254 ? 1.083 48.506 -22.412 1.00 48.82 ? 321 LEU A CD1 1 ATOM 1845 C CD2 . LEU A 1 254 ? -0.867 48.954 -20.976 1.00 52.04 ? 321 LEU A CD2 1 ATOM 1846 N N . VAL A 1 255 ? -3.912 45.041 -22.363 1.00 39.76 ? 322 VAL A N 1 ATOM 1847 C CA . VAL A 1 255 ? -4.662 43.950 -22.957 1.00 38.81 ? 322 VAL A CA 1 ATOM 1848 C C . VAL A 1 255 ? -5.098 44.268 -24.401 1.00 41.14 ? 322 VAL A C 1 ATOM 1849 O O . VAL A 1 255 ? -5.104 45.421 -24.820 1.00 41.44 ? 322 VAL A O 1 ATOM 1850 C CB . VAL A 1 255 ? -5.843 43.554 -22.101 1.00 40.63 ? 322 VAL A CB 1 ATOM 1851 C CG1 . VAL A 1 255 ? -5.377 43.255 -20.689 1.00 42.94 ? 322 VAL A CG1 1 ATOM 1852 C CG2 . VAL A 1 255 ? -6.914 44.653 -22.096 1.00 40.06 ? 322 VAL A CG2 1 ATOM 1853 N N . GLY A 1 256 ? -5.420 43.229 -25.152 1.00 42.52 ? 323 GLY A N 1 ATOM 1854 C CA . GLY A 1 256 ? -5.526 43.338 -26.602 1.00 44.19 ? 323 GLY A CA 1 ATOM 1855 C C . GLY A 1 256 ? -6.909 43.332 -27.194 1.00 47.95 ? 323 GLY A C 1 ATOM 1856 O O . GLY A 1 256 ? -7.065 43.560 -28.410 1.00 48.03 ? 323 GLY A O 1 ATOM 1857 N N . ASP A 1 257 ? -7.916 43.071 -26.363 1.00 45.46 ? 324 ASP A N 1 ATOM 1858 C CA . ASP A 1 257 ? -9.260 43.022 -26.844 1.00 42.13 ? 324 ASP A CA 1 ATOM 1859 C C . ASP A 1 257 ? -9.958 44.400 -26.823 1.00 46.03 ? 324 ASP A C 1 ATOM 1860 O O . ASP A 1 257 ? -9.429 45.401 -26.335 1.00 49.57 ? 324 ASP A O 1 ATOM 1861 C CB . ASP A 1 257 ? -10.078 41.973 -26.093 1.00 49.82 ? 324 ASP A CB 1 ATOM 1862 C CG . ASP A 1 257 ? -11.028 41.155 -27.026 1.00 53.51 ? 324 ASP A CG 1 ATOM 1863 O OD1 . ASP A 1 257 ? -11.270 41.571 -28.199 1.00 46.61 ? 324 ASP A OD1 1 ATOM 1864 O OD2 . ASP A 1 257 ? -11.505 40.084 -26.576 1.00 48.97 ? 324 ASP A OD2 1 ATOM 1865 N N . THR A 1 258 ? -11.133 44.422 -27.462 1.00 47.92 ? 325 THR A N 1 ATOM 1866 C CA . THR A 1 258 ? -12.009 45.558 -27.510 1.00 47.30 ? 325 THR A CA 1 ATOM 1867 C C . THR A 1 258 ? -13.446 45.046 -27.284 1.00 48.87 ? 325 THR A C 1 ATOM 1868 O O . THR A 1 258 ? -13.894 44.172 -27.995 1.00 47.24 ? 325 THR A O 1 ATOM 1869 C CB . THR A 1 258 ? -11.939 46.229 -28.890 1.00 51.04 ? 325 THR A CB 1 ATOM 1870 O OG1 . THR A 1 258 ? -10.572 46.540 -29.200 1.00 49.14 ? 325 THR A OG1 1 ATOM 1871 C CG2 . THR A 1 258 ? -12.776 47.501 -28.904 1.00 49.89 ? 325 THR A CG2 1 ATOM 1872 N N . PRO A 1 259 ? -14.171 45.590 -26.304 1.00 44.13 ? 326 PRO A N 1 ATOM 1873 C CA . PRO A 1 259 ? -13.785 46.629 -25.388 1.00 44.41 ? 326 PRO A CA 1 ATOM 1874 C C . PRO A 1 259 ? -12.781 46.190 -24.318 1.00 43.68 ? 326 PRO A C 1 ATOM 1875 O O . PRO A 1 259 ? -12.446 45.046 -24.213 1.00 43.11 ? 326 PRO A O 1 ATOM 1876 C CB . PRO A 1 259 ? -15.116 47.060 -24.750 1.00 49.48 ? 326 PRO A CB 1 ATOM 1877 C CG . PRO A 1 259 ? -15.986 45.864 -24.854 1.00 48.15 ? 326 PRO A CG 1 ATOM 1878 C CD . PRO A 1 259 ? -15.552 45.139 -26.104 1.00 43.97 ? 326 PRO A CD 1 ATOM 1879 N N . ARG A 1 260 ? -12.301 47.147 -23.539 1.00 46.15 ? 327 ARG A N 1 ATOM 1880 C CA . ARG A 1 260 ? -11.369 46.887 -22.472 1.00 41.08 ? 327 ARG A CA 1 ATOM 1881 C C . ARG A 1 260 ? -11.349 48.095 -21.531 1.00 44.31 ? 327 ARG A C 1 ATOM 1882 O O . ARG A 1 260 ? -11.830 49.187 -21.880 1.00 42.58 ? 327 ARG A O 1 ATOM 1883 C CB . ARG A 1 260 ? -9.993 46.606 -23.051 1.00 39.03 ? 327 ARG A CB 1 ATOM 1884 C CG . ARG A 1 260 ? -9.394 47.779 -23.825 1.00 39.58 ? 327 ARG A CG 1 ATOM 1885 C CD . ARG A 1 260 ? -7.951 47.511 -24.229 1.00 38.45 ? 327 ARG A CD 1 ATOM 1886 N NE . ARG A 1 260 ? -7.431 48.633 -24.994 1.00 40.86 ? 327 ARG A NE 1 ATOM 1887 C CZ . ARG A 1 260 ? -7.609 48.850 -26.309 1.00 43.29 ? 327 ARG A CZ 1 ATOM 1888 N NH1 . ARG A 1 260 ? -7.107 49.955 -26.843 1.00 43.33 ? 327 ARG A NH1 1 ATOM 1889 N NH2 . ARG A 1 260 ? -8.289 48.000 -27.113 1.00 39.69 ? 327 ARG A NH2 1 ATOM 1890 N N . ASN A 1 261 ? -10.766 47.930 -20.344 1.00 45.36 ? 328 ASN A N 1 ATOM 1891 C CA . ASN A 1 261 ? -10.540 49.101 -19.473 1.00 45.15 ? 328 ASN A CA 1 ATOM 1892 C C . ASN A 1 261 ? -9.385 49.898 -20.041 1.00 47.34 ? 328 ASN A C 1 ATOM 1893 O O . ASN A 1 261 ? -8.608 49.354 -20.853 1.00 46.86 ? 328 ASN A O 1 ATOM 1894 C CB . ASN A 1 261 ? -10.152 48.685 -18.059 1.00 48.33 ? 328 ASN A CB 1 ATOM 1895 C CG . ASN A 1 261 ? -11.310 48.091 -17.268 1.00 47.98 ? 328 ASN A CG 1 ATOM 1896 O OD1 . ASN A 1 261 ? -12.474 48.192 -17.613 1.00 47.99 ? 328 ASN A OD1 1 ATOM 1897 N ND2 . ASN A 1 261 ? -10.959 47.444 -16.205 1.00 52.94 ? 328 ASN A ND2 1 ATOM 1898 N N . ASP A 1 262 ? -9.256 51.147 -19.599 1.00 45.44 ? 329 ASP A N 1 ATOM 1899 C CA . ASP A 1 262 ? -8.091 51.961 -19.875 1.00 51.15 ? 329 ASP A CA 1 ATOM 1900 C C . ASP A 1 262 ? -6.832 51.335 -19.229 1.00 50.07 ? 329 ASP A C 1 ATOM 1901 O O . ASP A 1 262 ? -6.932 50.477 -18.361 1.00 45.95 ? 329 ASP A O 1 ATOM 1902 C CB . ASP A 1 262 ? -8.253 53.399 -19.360 1.00 56.70 ? 329 ASP A CB 1 ATOM 1903 C CG . ASP A 1 262 ? -8.161 53.477 -17.843 1.00 68.54 ? 329 ASP A CG 1 ATOM 1904 O OD1 . ASP A 1 262 ? -7.067 53.694 -17.288 1.00 76.22 ? 329 ASP A OD1 1 ATOM 1905 O OD2 . ASP A 1 262 ? -9.194 53.250 -17.191 1.00 85.83 ? 329 ASP A OD2 1 ATOM 1906 N N . ASP A 1 263 ? -5.673 51.820 -19.686 1.00 49.66 ? 330 ASP A N 1 ATOM 1907 C CA . ASP A 1 263 ? -4.372 51.274 -19.380 1.00 51.57 ? 330 ASP A CA 1 ATOM 1908 C C . ASP A 1 263 ? -3.978 51.290 -17.910 1.00 55.52 ? 330 ASP A C 1 ATOM 1909 O O . ASP A 1 263 ? -3.183 50.467 -17.486 1.00 57.61 ? 330 ASP A O 1 ATOM 1910 C CB . ASP A 1 263 ? -3.275 51.985 -20.194 1.00 57.07 ? 330 ASP A CB 1 ATOM 1911 C CG . ASP A 1 263 ? -3.286 51.609 -21.716 1.00 59.81 ? 330 ASP A CG 1 ATOM 1912 O OD1 . ASP A 1 263 ? -3.958 50.642 -22.126 1.00 64.22 ? 330 ASP A OD1 1 ATOM 1913 O OD2 . ASP A 1 263 ? -2.612 52.301 -22.514 1.00 54.38 ? 330 ASP A OD2 1 ATOM 1914 N N . SER A 1 264 ? -4.501 52.200 -17.115 1.00 56.13 ? 331 SER A N 1 ATOM 1915 C CA . SER A 1 264 ? -4.142 52.170 -15.687 1.00 59.35 ? 331 SER A CA 1 ATOM 1916 C C . SER A 1 264 ? -5.000 51.244 -14.869 1.00 56.25 ? 331 SER A C 1 ATOM 1917 O O . SER A 1 264 ? -4.551 50.760 -13.858 1.00 52.49 ? 331 SER A O 1 ATOM 1918 C CB . SER A 1 264 ? -4.088 53.555 -15.055 1.00 59.16 ? 331 SER A CB 1 ATOM 1919 O OG . SER A 1 264 ? -5.149 54.324 -15.492 1.00 58.15 ? 331 SER A OG 1 ATOM 1920 N N . SER A 1 265 ? -6.179 50.877 -15.357 1.00 57.64 ? 332 SER A N 1 ATOM 1921 C CA . SER A 1 265 ? -7.028 49.935 -14.592 1.00 60.15 ? 332 SER A CA 1 ATOM 1922 C C . SER A 1 265 ? -7.228 48.547 -15.227 1.00 54.72 ? 332 SER A C 1 ATOM 1923 O O . SER A 1 265 ? -8.003 47.741 -14.746 1.00 60.91 ? 332 SER A O 1 ATOM 1924 C CB . SER A 1 265 ? -8.368 50.588 -14.320 1.00 57.52 ? 332 SER A CB 1 ATOM 1925 O OG . SER A 1 265 ? -8.913 50.988 -15.546 1.00 67.06 ? 332 SER A OG 1 ATOM 1926 N N . SER A 1 266 ? -6.488 48.252 -16.275 1.00 51.61 ? 333 SER A N 1 ATOM 1927 C CA . SER A 1 266 ? -6.609 46.967 -16.945 1.00 53.73 ? 333 SER A CA 1 ATOM 1928 C C . SER A 1 266 ? -5.640 45.976 -16.301 1.00 55.12 ? 333 SER A C 1 ATOM 1929 O O . SER A 1 266 ? -4.629 46.367 -15.762 1.00 55.63 ? 333 SER A O 1 ATOM 1930 C CB . SER A 1 266 ? -6.314 47.082 -18.463 1.00 50.87 ? 333 SER A CB 1 ATOM 1931 O OG . SER A 1 266 ? -5.010 47.551 -18.707 1.00 50.48 ? 333 SER A OG 1 ATOM 1932 N N . SER A 1 267 ? -5.926 44.686 -16.417 1.00 53.25 ? 334 SER A N 1 ATOM 1933 C CA . SER A 1 267 ? -5.059 43.685 -15.839 1.00 49.18 ? 334 SER A CA 1 ATOM 1934 C C . SER A 1 267 ? -5.191 42.307 -16.464 1.00 45.63 ? 334 SER A C 1 ATOM 1935 O O . SER A 1 267 ? -6.158 41.999 -17.150 1.00 48.11 ? 334 SER A O 1 ATOM 1936 C CB . SER A 1 267 ? -5.336 43.562 -14.312 1.00 53.35 ? 334 SER A CB 1 ATOM 1937 O OG . SER A 1 267 ? -6.613 42.986 -14.107 1.00 48.23 ? 334 SER A OG 1 ATOM 1938 N N . SER A 1 268 ? -4.196 41.475 -16.177 1.00 46.31 ? 335 SER A N 1 ATOM 1939 C CA . SER A 1 268 ? -4.210 40.056 -16.518 1.00 47.45 ? 335 SER A CA 1 ATOM 1940 C C . SER A 1 268 ? -3.341 39.332 -15.494 1.00 46.87 ? 335 SER A C 1 ATOM 1941 O O . SER A 1 268 ? -2.238 39.773 -15.167 1.00 45.55 ? 335 SER A O 1 ATOM 1942 C CB . SER A 1 268 ? -3.644 39.834 -17.953 1.00 48.19 ? 335 SER A CB 1 ATOM 1943 O OG . SER A 1 268 ? -3.639 38.460 -18.338 1.00 39.29 ? 335 SER A OG 1 ATOM 1944 N N . ASN A 1 269 ? -3.780 38.163 -15.080 1.00 52.48 ? 336 ASN A N 1 ATOM 1945 C CA . ASN A 1 269 ? -2.956 37.296 -14.205 1.00 55.49 ? 336 ASN A CA 1 ATOM 1946 C C . ASN A 1 269 ? -2.388 36.032 -14.900 1.00 55.45 ? 336 ASN A C 1 ATOM 1947 O O . ASN A 1 269 ? -1.974 35.123 -14.225 1.00 52.02 ? 336 ASN A O 1 ATOM 1948 C CB . ASN A 1 269 ? -3.771 36.855 -12.974 1.00 52.70 ? 336 ASN A CB 1 ATOM 1949 C CG . ASN A 1 269 ? -4.821 35.827 -13.324 1.00 57.19 ? 336 ASN A CG 1 ATOM 1950 O OD1 . ASN A 1 269 ? -4.992 35.452 -14.488 1.00 58.16 ? 336 ASN A OD1 1 ATOM 1951 N ND2 . ASN A 1 269 ? -5.515 35.349 -12.326 1.00 60.88 ? 336 ASN A ND2 1 ATOM 1952 N N . CYS A 1 270 ? -2.389 36.002 -16.230 1.00 53.55 ? 337 CYS A N 1 ATOM 1953 C CA . CYS A 1 270 ? -1.841 34.902 -17.061 1.00 56.40 ? 337 CYS A CA 1 ATOM 1954 C C . CYS A 1 270 ? -2.733 33.676 -17.116 1.00 55.90 ? 337 CYS A C 1 ATOM 1955 O O . CYS A 1 270 ? -2.496 32.824 -17.920 1.00 58.51 ? 337 CYS A O 1 ATOM 1956 C CB . CYS A 1 270 ? -0.380 34.489 -16.714 1.00 59.38 ? 337 CYS A CB 1 ATOM 1957 S SG . CYS A 1 270 ? 0.817 35.876 -16.648 1.00 88.21 ? 337 CYS A SG 1 ATOM 1958 N N . ARG A 1 271 ? -3.712 33.559 -16.241 1.00 53.63 ? 338 ARG A N 1 ATOM 1959 C CA . ARG A 1 271 ? -4.329 32.267 -15.991 1.00 56.39 ? 338 ARG A CA 1 ATOM 1960 C C . ARG A 1 271 ? -5.840 32.293 -16.242 1.00 53.41 ? 338 ARG A C 1 ATOM 1961 O O . ARG A 1 271 ? -6.398 31.365 -16.810 1.00 53.33 ? 338 ARG A O 1 ATOM 1962 C CB . ARG A 1 271 ? -4.020 31.781 -14.565 1.00 59.73 ? 338 ARG A CB 1 ATOM 1963 C CG . ARG A 1 271 ? -4.219 30.279 -14.403 1.00 72.05 ? 338 ARG A CG 1 ATOM 1964 C CD . ARG A 1 271 ? -4.159 29.780 -12.957 1.00 83.84 ? 338 ARG A CD 1 ATOM 1965 N NE . ARG A 1 271 ? -5.308 30.295 -12.183 1.00 98.57 ? 338 ARG A NE 1 ATOM 1966 C CZ . ARG A 1 271 ? -5.278 30.757 -10.924 1.00 88.59 ? 338 ARG A CZ 1 ATOM 1967 N NH1 . ARG A 1 271 ? -4.155 30.803 -10.224 1.00 83.25 ? 338 ARG A NH1 1 ATOM 1968 N NH2 . ARG A 1 271 ? -6.401 31.204 -10.382 1.00 86.34 ? 338 ARG A NH2 1 ATOM 1969 N N . ASP A 1 272 ? -6.468 33.399 -15.894 1.00 50.22 ? 339 ASP A N 1 ATOM 1970 C CA . ASP A 1 272 ? -7.908 33.511 -15.970 1.00 56.85 ? 339 ASP A CA 1 ATOM 1971 C C . ASP A 1 272 ? -8.366 34.724 -16.783 1.00 51.34 ? 339 ASP A C 1 ATOM 1972 O O . ASP A 1 272 ? -7.646 35.717 -16.913 1.00 52.04 ? 339 ASP A O 1 ATOM 1973 C CB . ASP A 1 272 ? -8.469 33.649 -14.530 1.00 61.19 ? 339 ASP A CB 1 ATOM 1974 C CG . ASP A 1 272 ? -7.905 32.576 -13.564 1.00 61.04 ? 339 ASP A CG 1 ATOM 1975 O OD1 . ASP A 1 272 ? -8.022 31.370 -13.855 1.00 65.43 ? 339 ASP A OD1 1 ATOM 1976 O OD2 . ASP A 1 272 ? -7.356 32.940 -12.521 1.00 60.52 ? 339 ASP A OD2 1 ATOM 1977 N N . PRO A 1 273 ? -9.599 34.667 -17.284 1.00 47.82 ? 340 PRO A N 1 ATOM 1978 C CA . PRO A 1 273 ? -10.153 35.860 -17.850 1.00 47.06 ? 340 PRO A CA 1 ATOM 1979 C C . PRO A 1 273 ? -10.224 36.912 -16.752 1.00 48.17 ? 340 PRO A C 1 ATOM 1980 O O . PRO A 1 273 ? -10.570 36.590 -15.620 1.00 49.14 ? 340 PRO A O 1 ATOM 1981 C CB . PRO A 1 273 ? -11.567 35.439 -18.313 1.00 47.13 ? 340 PRO A CB 1 ATOM 1982 C CG . PRO A 1 273 ? -11.866 34.180 -17.576 1.00 48.14 ? 340 PRO A CG 1 ATOM 1983 C CD . PRO A 1 273 ? -10.559 33.561 -17.204 1.00 47.27 ? 340 PRO A CD 1 ATOM 1984 N N . ASN A 1 274 ? -9.969 38.159 -17.124 1.00 48.69 ? 341 ASN A N 1 ATOM 1985 C CA . ASN A 1 274 ? -9.883 39.251 -16.187 1.00 46.43 ? 341 ASN A CA 1 ATOM 1986 C C . ASN A 1 274 ? -11.215 39.836 -15.724 1.00 48.97 ? 341 ASN A C 1 ATOM 1987 O O . ASN A 1 274 ? -11.202 40.681 -14.856 1.00 49.25 ? 341 ASN A O 1 ATOM 1988 C CB . ASN A 1 274 ? -8.983 40.374 -16.716 1.00 43.26 ? 341 ASN A CB 1 ATOM 1989 C CG . ASN A 1 274 ? -9.526 41.055 -17.997 1.00 44.06 ? 341 ASN A CG 1 ATOM 1990 O OD1 . ASN A 1 274 ? -10.640 40.818 -18.451 1.00 44.18 ? 341 ASN A OD1 1 ATOM 1991 N ND2 . ASN A 1 274 ? -8.686 41.866 -18.600 1.00 43.52 ? 341 ASN A ND2 1 ATOM 1992 N N . ASN A 1 275 ? -12.331 39.441 -16.325 1.00 49.36 ? 342 ASN A N 1 ATOM 1993 C CA . ASN A 1 275 ? -13.669 40.020 -16.016 1.00 57.10 ? 342 ASN A CA 1 ATOM 1994 C C . ASN A 1 275 ? -13.823 41.513 -16.177 1.00 56.04 ? 342 ASN A C 1 ATOM 1995 O O . ASN A 1 275 ? -14.649 42.137 -15.508 1.00 61.81 ? 342 ASN A O 1 ATOM 1996 C CB . ASN A 1 275 ? -14.180 39.633 -14.622 1.00 60.99 ? 342 ASN A CB 1 ATOM 1997 C CG . ASN A 1 275 ? -14.565 38.189 -14.554 1.00 75.22 ? 342 ASN A CG 1 ATOM 1998 O OD1 . ASN A 1 275 ? -15.460 37.730 -15.270 1.00 86.99 ? 342 ASN A OD1 1 ATOM 1999 N ND2 . ASN A 1 275 ? -13.814 37.423 -13.783 1.00 81.46 ? 342 ASN A ND2 1 ATOM 2000 N N . GLU A 1 276 ? -13.066 42.071 -17.096 1.00 52.77 ? 343 GLU A N 1 ATOM 2001 C CA . GLU A 1 276 ? -13.129 43.487 -17.395 1.00 48.71 ? 343 GLU A CA 1 ATOM 2002 C C . GLU A 1 276 ? -13.638 43.655 -18.828 1.00 45.50 ? 343 GLU A C 1 ATOM 2003 O O . GLU A 1 276 ? -12.911 43.413 -19.802 1.00 44.86 ? 343 GLU A O 1 ATOM 2004 C CB . GLU A 1 276 ? -11.753 44.111 -17.238 1.00 49.79 ? 343 GLU A CB 1 ATOM 2005 C CG . GLU A 1 276 ? -11.140 43.964 -15.853 1.00 55.90 ? 343 GLU A CG 1 ATOM 2006 C CD . GLU A 1 276 ? -9.603 44.198 -15.803 1.00 60.46 ? 343 GLU A CD 1 ATOM 2007 O OE1 . GLU A 1 276 ? -8.955 44.554 -16.827 1.00 60.17 ? 343 GLU A OE1 1 ATOM 2008 O OE2 . GLU A 1 276 ? -9.014 43.947 -14.729 1.00 59.69 ? 343 GLU A OE2 1 ATOM 2009 N N . ARG A 1 277 ? -14.902 44.012 -18.948 1.00 47.65 ? 344 ARG A N 1 ATOM 2010 C CA . ARG A 1 277 ? -15.519 44.339 -20.229 1.00 48.01 ? 344 ARG A CA 1 ATOM 2011 C C . ARG A 1 277 ? -15.276 43.245 -21.283 1.00 50.68 ? 344 ARG A C 1 ATOM 2012 O O . ARG A 1 277 ? -14.798 43.493 -22.389 1.00 54.44 ? 344 ARG A O 1 ATOM 2013 C CB . ARG A 1 277 ? -14.996 45.695 -20.702 1.00 47.78 ? 344 ARG A CB 1 ATOM 2014 C CG . ARG A 1 277 ? -15.279 46.811 -19.721 1.00 47.86 ? 344 ARG A CG 1 ATOM 2015 C CD . ARG A 1 277 ? -14.882 48.182 -20.238 1.00 50.21 ? 344 ARG A CD 1 ATOM 2016 N NE . ARG A 1 277 ? -15.891 48.724 -21.141 1.00 51.21 ? 344 ARG A NE 1 ATOM 2017 C CZ . ARG A 1 277 ? -15.672 49.681 -22.039 1.00 55.51 ? 344 ARG A CZ 1 ATOM 2018 N NH1 . ARG A 1 277 ? -14.460 50.199 -22.233 1.00 57.63 ? 344 ARG A NH1 1 ATOM 2019 N NH2 . ARG A 1 277 ? -16.669 50.093 -22.811 1.00 57.45 ? 344 ARG A NH2 1 ATOM 2020 N N . GLY A 1 278 ? -15.587 42.025 -20.894 1.00 54.95 ? 345 GLY A N 1 ATOM 2021 C CA . GLY A 1 278 ? -15.226 40.837 -21.658 1.00 54.60 ? 345 GLY A CA 1 ATOM 2022 C C . GLY A 1 278 ? -15.947 40.681 -22.992 1.00 59.61 ? 345 GLY A C 1 ATOM 2023 O O . GLY A 1 278 ? -15.464 39.966 -23.876 1.00 62.91 ? 345 GLY A O 1 ATOM 2024 N N . ASN A 1 279 ? -17.093 41.322 -23.170 1.00 59.38 ? 346 ASN A N 1 ATOM 2025 C CA . ASN A 1 279 ? -17.879 41.043 -24.361 1.00 58.09 ? 346 ASN A CA 1 ATOM 2026 C C . ASN A 1 279 ? -18.118 42.294 -25.185 1.00 51.31 ? 346 ASN A C 1 ATOM 2027 O O . ASN A 1 279 ? -18.150 43.354 -24.658 1.00 51.50 ? 346 ASN A O 1 ATOM 2028 C CB . ASN A 1 279 ? -19.161 40.256 -24.000 1.00 67.62 ? 346 ASN A CB 1 ATOM 2029 C CG . ASN A 1 279 ? -20.419 41.038 -24.166 1.00 70.37 ? 346 ASN A CG 1 ATOM 2030 O OD1 . ASN A 1 279 ? -20.804 41.763 -23.276 1.00 70.50 ? 346 ASN A OD1 1 ATOM 2031 N ND2 . ASN A 1 279 ? -21.096 40.859 -25.314 1.00 71.13 ? 346 ASN A ND2 1 ATOM 2032 N N . PRO A 1 280 ? -18.239 42.158 -26.501 1.00 52.91 ? 347 PRO A N 1 ATOM 2033 C CA . PRO A 1 280 ? -18.146 40.928 -27.295 1.00 54.77 ? 347 PRO A CA 1 ATOM 2034 C C . PRO A 1 280 ? -16.725 40.558 -27.784 1.00 50.37 ? 347 PRO A C 1 ATOM 2035 O O . PRO A 1 280 ? -16.535 39.482 -28.345 1.00 58.44 ? 347 PRO A O 1 ATOM 2036 C CB . PRO A 1 280 ? -18.984 41.276 -28.514 1.00 50.82 ? 347 PRO A CB 1 ATOM 2037 C CG . PRO A 1 280 ? -18.673 42.730 -28.724 1.00 51.12 ? 347 PRO A CG 1 ATOM 2038 C CD . PRO A 1 280 ? -18.545 43.322 -27.345 1.00 54.34 ? 347 PRO A CD 1 ATOM 2039 N N . GLY A 1 281 ? -15.773 41.460 -27.653 1.00 41.13 ? 348 GLY A N 1 ATOM 2040 C CA . GLY A 1 281 ? -14.413 41.213 -28.151 1.00 37.94 ? 348 GLY A CA 1 ATOM 2041 C C . GLY A 1 281 ? -14.305 41.482 -29.628 1.00 41.49 ? 348 GLY A C 1 ATOM 2042 O O . GLY A 1 281 ? -15.319 41.733 -30.317 1.00 41.67 ? 348 GLY A O 1 ATOM 2043 N N . VAL A 1 282 ? -13.099 41.281 -30.124 1.00 38.57 ? 349 VAL A N 1 ATOM 2044 C CA . VAL A 1 282 ? -12.793 41.366 -31.539 1.00 38.65 ? 349 VAL A CA 1 ATOM 2045 C C . VAL A 1 282 ? -11.617 40.449 -31.874 1.00 38.16 ? 349 VAL A C 1 ATOM 2046 O O . VAL A 1 282 ? -10.738 40.203 -31.041 1.00 34.94 ? 349 VAL A O 1 ATOM 2047 C CB . VAL A 1 282 ? -12.474 42.812 -31.937 1.00 45.15 ? 349 VAL A CB 1 ATOM 2048 C CG1 . VAL A 1 282 ? -11.120 43.229 -31.398 1.00 43.37 ? 349 VAL A CG1 1 ATOM 2049 C CG2 . VAL A 1 282 ? -12.464 42.996 -33.451 1.00 46.26 ? 349 VAL A CG2 1 ATOM 2050 N N . LYS A 1 283 ? -11.599 39.888 -33.078 1.00 38.09 ? 350 LYS A N 1 ATOM 2051 C CA . LYS A 1 283 ? -10.440 39.064 -33.486 1.00 39.38 ? 350 LYS A CA 1 ATOM 2052 C C . LYS A 1 283 ? -9.159 39.913 -33.551 1.00 35.95 ? 350 LYS A C 1 ATOM 2053 O O . LYS A 1 283 ? -9.153 41.001 -34.087 1.00 39.89 ? 350 LYS A O 1 ATOM 2054 C CB . LYS A 1 283 ? -10.689 38.404 -34.841 1.00 42.25 ? 350 LYS A CB 1 ATOM 2055 C CG . LYS A 1 283 ? -9.562 37.513 -35.278 1.00 40.74 ? 350 LYS A CG 1 ATOM 2056 C CD . LYS A 1 283 ? -9.757 37.030 -36.707 1.00 44.47 ? 350 LYS A CD 1 ATOM 2057 C CE . LYS A 1 283 ? -8.508 36.335 -37.241 1.00 43.42 ? 350 LYS A CE 1 ATOM 2058 N NZ . LYS A 1 283 ? -8.189 35.066 -36.542 1.00 41.63 ? 350 LYS A NZ 1 ATOM 2059 N N . GLY A 1 284 ? -8.105 39.418 -32.942 1.00 34.08 ? 351 GLY A N 1 ATOM 2060 C CA . GLY A 1 284 ? -6.828 40.042 -32.987 1.00 32.69 ? 351 GLY A CA 1 ATOM 2061 C C . GLY A 1 284 ? -5.701 39.016 -32.833 1.00 34.76 ? 351 GLY A C 1 ATOM 2062 O O . GLY A 1 284 ? -5.904 37.796 -32.974 1.00 38.96 ? 351 GLY A O 1 ATOM 2063 N N . TRP A 1 285 ? -4.511 39.505 -32.552 1.00 31.93 ? 352 TRP A N 1 ATOM 2064 C CA . TRP A 1 285 ? -3.301 38.706 -32.542 1.00 33.52 ? 352 TRP A CA 1 ATOM 2065 C C . TRP A 1 285 ? -2.244 39.223 -31.546 1.00 33.52 ? 352 TRP A C 1 ATOM 2066 O O . TRP A 1 285 ? -2.267 40.375 -31.091 1.00 34.30 ? 352 TRP A O 1 ATOM 2067 C CB . TRP A 1 285 ? -2.654 38.665 -33.967 1.00 33.11 ? 352 TRP A CB 1 ATOM 2068 C CG . TRP A 1 285 ? -2.236 39.989 -34.422 1.00 33.64 ? 352 TRP A CG 1 ATOM 2069 C CD1 . TRP A 1 285 ? -3.001 40.891 -35.115 1.00 35.08 ? 352 TRP A CD1 1 ATOM 2070 C CD2 . TRP A 1 285 ? -0.970 40.601 -34.233 1.00 35.67 ? 352 TRP A CD2 1 ATOM 2071 N NE1 . TRP A 1 285 ? -2.288 42.036 -35.358 1.00 33.39 ? 352 TRP A NE1 1 ATOM 2072 C CE2 . TRP A 1 285 ? -1.040 41.893 -34.825 1.00 35.57 ? 352 TRP A CE2 1 ATOM 2073 C CE3 . TRP A 1 285 ? 0.213 40.212 -33.581 1.00 39.31 ? 352 TRP A CE3 1 ATOM 2074 C CZ2 . TRP A 1 285 ? 0.004 42.789 -34.767 1.00 35.93 ? 352 TRP A CZ2 1 ATOM 2075 C CZ3 . TRP A 1 285 ? 1.266 41.085 -33.558 1.00 38.62 ? 352 TRP A CZ3 1 ATOM 2076 C CH2 . TRP A 1 285 ? 1.153 42.366 -34.129 1.00 40.04 ? 352 TRP A CH2 1 ATOM 2077 N N . ALA A 1 286 ? -1.272 38.356 -31.308 1.00 34.67 ? 353 ALA A N 1 ATOM 2078 C CA . ALA A 1 286 ? -0.052 38.669 -30.574 1.00 37.52 ? 353 ALA A CA 1 ATOM 2079 C C . ALA A 1 286 ? 0.963 37.564 -30.790 1.00 36.82 ? 353 ALA A C 1 ATOM 2080 O O . ALA A 1 286 ? 0.589 36.454 -31.151 1.00 40.51 ? 353 ALA A O 1 ATOM 2081 C CB . ALA A 1 286 ? -0.336 38.820 -29.077 1.00 37.77 ? 353 ALA A CB 1 ATOM 2082 N N . PHE A 1 287 ? 2.229 37.861 -30.546 1.00 35.93 ? 354 PHE A N 1 ATOM 2083 C CA . PHE A 1 287 ? 3.253 36.824 -30.550 1.00 39.70 ? 354 PHE A CA 1 ATOM 2084 C C . PHE A 1 287 ? 4.420 37.129 -29.614 1.00 37.12 ? 354 PHE A C 1 ATOM 2085 O O . PHE A 1 287 ? 4.660 38.243 -29.241 1.00 39.40 ? 354 PHE A O 1 ATOM 2086 C CB . PHE A 1 287 ? 3.727 36.467 -31.979 1.00 39.31 ? 354 PHE A CB 1 ATOM 2087 C CG . PHE A 1 287 ? 4.540 37.519 -32.641 1.00 37.46 ? 354 PHE A CG 1 ATOM 2088 C CD1 . PHE A 1 287 ? 3.937 38.484 -33.397 1.00 39.26 ? 354 PHE A CD1 1 ATOM 2089 C CD2 . PHE A 1 287 ? 5.913 37.508 -32.535 1.00 43.17 ? 354 PHE A CD2 1 ATOM 2090 C CE1 . PHE A 1 287 ? 4.677 39.468 -34.033 1.00 40.94 ? 354 PHE A CE1 1 ATOM 2091 C CE2 . PHE A 1 287 ? 6.669 38.471 -33.160 1.00 42.13 ? 354 PHE A CE2 1 ATOM 2092 C CZ . PHE A 1 287 ? 6.031 39.496 -33.895 1.00 41.04 ? 354 PHE A CZ 1 ATOM 2093 N N . ASP A 1 288 ? 5.061 36.066 -29.195 1.00 42.51 ? 355 ASP A N 1 ATOM 2094 C CA . ASP A 1 288 ? 6.098 36.104 -28.179 1.00 43.89 ? 355 ASP A CA 1 ATOM 2095 C C . ASP A 1 288 ? 7.449 36.268 -28.831 1.00 47.26 ? 355 ASP A C 1 ATOM 2096 O O . ASP A 1 288 ? 7.697 35.740 -29.898 1.00 43.66 ? 355 ASP A O 1 ATOM 2097 C CB . ASP A 1 288 ? 6.102 34.811 -27.355 1.00 47.17 ? 355 ASP A CB 1 ATOM 2098 C CG . ASP A 1 288 ? 6.425 33.569 -28.199 1.00 53.52 ? 355 ASP A CG 1 ATOM 2099 O OD1 . ASP A 1 288 ? 5.576 33.093 -29.013 1.00 51.58 ? 355 ASP A OD1 1 ATOM 2100 O OD2 . ASP A 1 288 ? 7.536 33.051 -28.026 1.00 53.88 ? 355 ASP A OD2 1 ATOM 2101 N N . ASN A 1 289 ? 8.298 37.043 -28.158 1.00 48.42 ? 356 ASN A N 1 ATOM 2102 C CA . ASN A 1 289 ? 9.721 37.053 -28.398 1.00 45.68 ? 356 ASN A CA 1 ATOM 2103 C C . ASN A 1 289 ? 10.478 37.027 -27.074 1.00 44.16 ? 356 ASN A C 1 ATOM 2104 O O . ASN A 1 289 ? 10.680 38.078 -26.431 1.00 41.05 ? 356 ASN A O 1 ATOM 2105 C CB . ASN A 1 289 ? 10.114 38.275 -29.198 1.00 47.44 ? 356 ASN A CB 1 ATOM 2106 C CG . ASN A 1 289 ? 11.540 38.192 -29.665 1.00 50.13 ? 356 ASN A CG 1 ATOM 2107 O OD1 . ASN A 1 289 ? 12.322 39.087 -29.438 1.00 55.04 ? 356 ASN A OD1 1 ATOM 2108 N ND2 . ASN A 1 289 ? 11.888 37.094 -30.325 1.00 53.54 ? 356 ASN A ND2 1 ATOM 2109 N N . GLY A 1 290 ? 10.839 35.826 -26.656 1.00 41.94 ? 357 GLY A N 1 ATOM 2110 C CA . GLY A 1 290 ? 11.435 35.585 -25.320 1.00 48.72 ? 357 GLY A CA 1 ATOM 2111 C C . GLY A 1 290 ? 10.438 35.945 -24.214 1.00 48.33 ? 357 GLY A C 1 ATOM 2112 O O . GLY A 1 290 ? 9.348 35.375 -24.144 1.00 56.28 ? 357 GLY A O 1 ATOM 2113 N N . ASN A 1 291 ? 10.783 36.937 -23.408 1.00 49.69 ? 358 ASN A N 1 ATOM 2114 C CA . ASN A 1 291 ? 9.876 37.435 -22.347 1.00 50.76 ? 358 ASN A CA 1 ATOM 2115 C C . ASN A 1 291 ? 8.926 38.503 -22.810 1.00 45.48 ? 358 ASN A C 1 ATOM 2116 O O . ASN A 1 291 ? 7.995 38.845 -22.097 1.00 44.26 ? 358 ASN A O 1 ATOM 2117 C CB . ASN A 1 291 ? 10.717 37.975 -21.188 1.00 50.92 ? 358 ASN A CB 1 ATOM 2118 C CG . ASN A 1 291 ? 11.471 36.869 -20.489 1.00 51.09 ? 358 ASN A CG 1 ATOM 2119 O OD1 . ASN A 1 291 ? 10.906 35.833 -20.133 1.00 50.99 ? 358 ASN A OD1 1 ATOM 2120 N ND2 . ASN A 1 291 ? 12.730 37.058 -20.322 1.00 48.43 ? 358 ASN A ND2 1 ATOM 2121 N N . ASP A 1 292 ? 9.181 39.027 -24.007 1.00 46.97 ? 359 ASP A N 1 ATOM 2122 C CA . ASP A 1 292 ? 8.408 40.130 -24.565 1.00 48.63 ? 359 ASP A CA 1 ATOM 2123 C C . ASP A 1 292 ? 7.242 39.632 -25.428 1.00 52.27 ? 359 ASP A C 1 ATOM 2124 O O . ASP A 1 292 ? 7.249 38.485 -25.902 1.00 46.59 ? 359 ASP A O 1 ATOM 2125 C CB . ASP A 1 292 ? 9.309 41.017 -25.405 1.00 48.15 ? 359 ASP A CB 1 ATOM 2126 C CG . ASP A 1 292 ? 10.453 41.679 -24.584 1.00 52.59 ? 359 ASP A CG 1 ATOM 2127 O OD1 . ASP A 1 292 ? 10.496 41.556 -23.333 1.00 54.02 ? 359 ASP A OD1 1 ATOM 2128 O OD2 . ASP A 1 292 ? 11.291 42.350 -25.212 1.00 53.35 ? 359 ASP A OD2 1 ATOM 2129 N N . VAL A 1 293 ? 6.232 40.486 -25.583 1.00 45.45 ? 360 VAL A N 1 ATOM 2130 C CA . VAL A 1 293 ? 5.172 40.256 -26.548 1.00 49.55 ? 360 VAL A CA 1 ATOM 2131 C C . VAL A 1 293 ? 5.102 41.409 -27.530 1.00 45.62 ? 360 VAL A C 1 ATOM 2132 O O . VAL A 1 293 ? 5.148 42.538 -27.105 1.00 43.01 ? 360 VAL A O 1 ATOM 2133 C CB . VAL A 1 293 ? 3.702 40.403 -26.059 1.00 48.14 ? 360 VAL A CB 1 ATOM 2134 C CG1 . VAL A 1 293 ? 2.888 39.237 -26.483 1.00 46.31 ? 360 VAL A CG1 1 ATOM 2135 C CG2 . VAL A 1 293 ? 3.553 40.805 -24.621 1.00 46.76 ? 360 VAL A CG2 1 ATOM 2136 N N . TRP A 1 294 ? 4.821 41.084 -28.787 1.00 39.35 ? 361 TRP A N 1 ATOM 2137 C CA . TRP A 1 294 ? 4.363 42.031 -29.780 1.00 38.26 ? 361 TRP A CA 1 ATOM 2138 C C . TRP A 1 294 ? 2.879 41.794 -29.997 1.00 36.56 ? 361 TRP A C 1 ATOM 2139 O O . TRP A 1 294 ? 2.430 40.663 -30.084 1.00 34.31 ? 361 TRP A O 1 ATOM 2140 C CB . TRP A 1 294 ? 5.050 41.795 -31.120 1.00 37.63 ? 361 TRP A CB 1 ATOM 2141 C CG . TRP A 1 294 ? 6.422 42.236 -31.223 1.00 39.74 ? 361 TRP A CG 1 ATOM 2142 C CD1 . TRP A 1 294 ? 7.554 41.452 -31.102 1.00 41.75 ? 361 TRP A CD1 1 ATOM 2143 C CD2 . TRP A 1 294 ? 6.879 43.553 -31.512 1.00 40.46 ? 361 TRP A CD2 1 ATOM 2144 N NE1 . TRP A 1 294 ? 8.656 42.208 -31.282 1.00 42.56 ? 361 TRP A NE1 1 ATOM 2145 C CE2 . TRP A 1 294 ? 8.285 43.506 -31.500 1.00 39.06 ? 361 TRP A CE2 1 ATOM 2146 C CE3 . TRP A 1 294 ? 6.241 44.767 -31.741 1.00 38.67 ? 361 TRP A CE3 1 ATOM 2147 C CZ2 . TRP A 1 294 ? 9.057 44.589 -31.778 1.00 41.33 ? 361 TRP A CZ2 1 ATOM 2148 C CZ3 . TRP A 1 294 ? 7.009 45.866 -31.960 1.00 41.37 ? 361 TRP A CZ3 1 ATOM 2149 C CH2 . TRP A 1 294 ? 8.408 45.775 -32.002 1.00 41.00 ? 361 TRP A CH2 1 ATOM 2150 N N . MET A 1 295 ? 2.128 42.865 -30.114 1.00 35.16 ? 362 MET A N 1 ATOM 2151 C CA . MET A 1 295 ? 0.688 42.752 -30.224 1.00 41.51 ? 362 MET A CA 1 ATOM 2152 C C . MET A 1 295 ? 0.073 43.956 -30.920 1.00 35.86 ? 362 MET A C 1 ATOM 2153 O O . MET A 1 295 ? 0.691 45.002 -30.979 1.00 37.54 ? 362 MET A O 1 ATOM 2154 C CB . MET A 1 295 ? 0.040 42.606 -28.834 1.00 38.80 ? 362 MET A CB 1 ATOM 2155 C CG . MET A 1 295 ? 0.471 43.664 -27.798 1.00 40.83 ? 362 MET A CG 1 ATOM 2156 S SD . MET A 1 295 ? -0.370 43.445 -26.157 1.00 44.52 ? 362 MET A SD 1 ATOM 2157 C CE . MET A 1 295 ? -1.918 44.214 -26.549 1.00 44.28 ? 362 MET A CE 1 ATOM 2158 N N . GLY A 1 296 ? -1.115 43.752 -31.478 1.00 35.32 ? 363 GLY A N 1 ATOM 2159 C CA . GLY A 1 296 ? -1.927 44.830 -32.043 1.00 32.05 ? 363 GLY A CA 1 ATOM 2160 C C . GLY A 1 296 ? -3.208 45.001 -31.251 1.00 34.46 ? 363 GLY A C 1 ATOM 2161 O O . GLY A 1 296 ? -3.598 44.110 -30.510 1.00 38.18 ? 363 GLY A O 1 ATOM 2162 N N . ARG A 1 297 ? -3.834 46.160 -31.377 1.00 35.35 ? 364 ARG A N 1 ATOM 2163 C CA . ARG A 1 297 ? -5.181 46.332 -30.890 1.00 36.94 ? 364 ARG A CA 1 ATOM 2164 C C . ARG A 1 297 ? -5.771 47.606 -31.482 1.00 37.58 ? 364 ARG A C 1 ATOM 2165 O O . ARG A 1 297 ? -5.063 48.448 -32.010 1.00 40.29 ? 364 ARG A O 1 ATOM 2166 C CB . ARG A 1 297 ? -5.170 46.424 -29.361 1.00 39.17 ? 364 ARG A CB 1 ATOM 2167 C CG . ARG A 1 297 ? -4.413 47.627 -28.838 1.00 39.94 ? 364 ARG A CG 1 ATOM 2168 C CD . ARG A 1 297 ? -4.264 47.528 -27.328 1.00 42.75 ? 364 ARG A CD 1 ATOM 2169 N NE . ARG A 1 297 ? -3.830 48.786 -26.744 1.00 42.76 ? 364 ARG A NE 1 ATOM 2170 C CZ . ARG A 1 297 ? -3.666 48.999 -25.436 1.00 46.57 ? 364 ARG A CZ 1 ATOM 2171 N NH1 . ARG A 1 297 ? -3.260 50.187 -25.013 1.00 48.63 ? 364 ARG A NH1 1 ATOM 2172 N NH2 . ARG A 1 297 ? -3.888 48.059 -24.543 1.00 47.16 ? 364 ARG A NH2 1 ATOM 2173 N N . THR A 1 298 ? -7.073 47.760 -31.331 1.00 40.06 ? 365 THR A N 1 ATOM 2174 C CA . THR A 1 298 ? -7.748 48.993 -31.715 1.00 43.11 ? 365 THR A CA 1 ATOM 2175 C C . THR A 1 298 ? -7.265 50.108 -30.797 1.00 44.58 ? 365 THR A C 1 ATOM 2176 O O . THR A 1 298 ? -6.865 49.846 -29.661 1.00 42.66 ? 365 THR A O 1 ATOM 2177 C CB . THR A 1 298 ? -9.283 48.896 -31.595 1.00 44.98 ? 365 THR A CB 1 ATOM 2178 O OG1 . THR A 1 298 ? -9.655 48.687 -30.231 1.00 43.20 ? 365 THR A OG1 1 ATOM 2179 C CG2 . THR A 1 298 ? -9.816 47.769 -32.439 1.00 47.91 ? 365 THR A CG2 1 ATOM 2180 N N . ILE A 1 299 ? -7.279 51.348 -31.277 1.00 49.44 ? 366 ILE A N 1 ATOM 2181 C CA . ILE A 1 299 ? -6.836 52.460 -30.440 1.00 44.94 ? 366 ILE A CA 1 ATOM 2182 C C . ILE A 1 299 ? -7.923 52.764 -29.420 1.00 45.82 ? 366 ILE A C 1 ATOM 2183 O O . ILE A 1 299 ? -7.628 52.979 -28.236 1.00 41.88 ? 366 ILE A O 1 ATOM 2184 C CB . ILE A 1 299 ? -6.388 53.670 -31.258 1.00 43.97 ? 366 ILE A CB 1 ATOM 2185 C CG1 . ILE A 1 299 ? -5.064 53.351 -31.951 1.00 49.35 ? 366 ILE A CG1 1 ATOM 2186 C CG2 . ILE A 1 299 ? -6.188 54.906 -30.382 1.00 41.33 ? 366 ILE A CG2 1 ATOM 2187 C CD1 . ILE A 1 299 ? -4.734 54.314 -33.072 1.00 48.81 ? 366 ILE A CD1 1 ATOM 2188 N N . SER A 1 300 ? -9.176 52.754 -29.858 1.00 45.55 ? 367 SER A N 1 ATOM 2189 C CA . SER A 1 300 ? -10.305 52.991 -28.925 1.00 45.34 ? 367 SER A CA 1 ATOM 2190 C C . SER A 1 300 ? -10.482 51.792 -27.995 1.00 46.83 ? 367 SER A C 1 ATOM 2191 O O . SER A 1 300 ? -10.293 50.643 -28.409 1.00 56.88 ? 367 SER A O 1 ATOM 2192 C CB . SER A 1 300 ? -11.584 53.263 -29.678 1.00 47.48 ? 367 SER A CB 1 ATOM 2193 O OG . SER A 1 300 ? -12.731 53.100 -28.843 1.00 51.62 ? 367 SER A OG 1 ATOM 2194 N N . GLU A 1 301 ? -10.786 52.077 -26.741 1.00 46.72 ? 368 GLU A N 1 ATOM 2195 C CA . GLU A 1 301 ? -11.101 51.064 -25.728 1.00 48.70 ? 368 GLU A CA 1 ATOM 2196 C C . GLU A 1 301 ? -12.544 50.613 -25.799 1.00 46.16 ? 368 GLU A C 1 ATOM 2197 O O . GLU A 1 301 ? -12.908 49.607 -25.197 1.00 47.62 ? 368 GLU A O 1 ATOM 2198 C CB . GLU A 1 301 ? -10.818 51.609 -24.337 1.00 48.29 ? 368 GLU A CB 1 ATOM 2199 C CG . GLU A 1 301 ? -9.333 51.781 -24.095 1.00 58.51 ? 368 GLU A CG 1 ATOM 2200 C CD . GLU A 1 301 ? -8.918 53.145 -23.541 1.00 64.60 ? 368 GLU A CD 1 ATOM 2201 O OE1 . GLU A 1 301 ? -9.771 54.018 -23.454 1.00 68.62 ? 368 GLU A OE1 1 ATOM 2202 O OE2 . GLU A 1 301 ? -7.722 53.335 -23.204 1.00 82.26 ? 368 GLU A OE2 1 ATOM 2203 N N . ASP A 1 302 ? -13.360 51.349 -26.553 1.00 50.72 ? 369 ASP A N 1 ATOM 2204 C CA . ASP A 1 302 ? -14.800 51.088 -26.626 1.00 52.08 ? 369 ASP A CA 1 ATOM 2205 C C . ASP A 1 302 ? -15.208 50.504 -27.926 1.00 54.35 ? 369 ASP A C 1 ATOM 2206 O O . ASP A 1 302 ? -16.090 49.701 -27.974 1.00 50.67 ? 369 ASP A O 1 ATOM 2207 C CB . ASP A 1 302 ? -15.605 52.381 -26.464 1.00 57.32 ? 369 ASP A CB 1 ATOM 2208 C CG . ASP A 1 302 ? -15.352 53.073 -25.139 1.00 60.81 ? 369 ASP A CG 1 ATOM 2209 O OD1 . ASP A 1 302 ? -15.245 52.400 -24.098 1.00 62.48 ? 369 ASP A OD1 1 ATOM 2210 O OD2 . ASP A 1 302 ? -15.230 54.310 -25.135 1.00 69.42 ? 369 ASP A OD2 1 ATOM 2211 N N . SER A 1 303 ? -14.623 50.950 -29.010 1.00 52.77 ? 370 SER A N 1 ATOM 2212 C CA . SER A 1 303 ? -15.123 50.508 -30.275 1.00 53.59 ? 370 SER A CA 1 ATOM 2213 C C . SER A 1 303 ? -13.975 50.172 -31.246 1.00 48.84 ? 370 SER A C 1 ATOM 2214 O O . SER A 1 303 ? -12.797 50.411 -30.964 1.00 51.45 ? 370 SER A O 1 ATOM 2215 C CB . SER A 1 303 ? -16.044 51.601 -30.823 1.00 62.70 ? 370 SER A CB 1 ATOM 2216 O OG . SER A 1 303 ? -15.280 52.737 -31.164 1.00 70.01 ? 370 SER A OG 1 ATOM 2217 N N . ARG A 1 304 ? -14.345 49.621 -32.385 1.00 46.36 ? 371 ARG A N 1 ATOM 2218 C CA . ARG A 1 304 ? -13.399 49.117 -33.400 1.00 45.43 ? 371 ARG A CA 1 ATOM 2219 C C . ARG A 1 304 ? -12.956 50.219 -34.309 1.00 41.10 ? 371 ARG A C 1 ATOM 2220 O O . ARG A 1 304 ? -13.267 50.279 -35.474 1.00 41.07 ? 371 ARG A O 1 ATOM 2221 C CB . ARG A 1 304 ? -13.998 47.967 -34.193 1.00 45.43 ? 371 ARG A CB 1 ATOM 2222 C CG . ARG A 1 304 ? -14.427 46.779 -33.334 1.00 46.64 ? 371 ARG A CG 1 ATOM 2223 C CD . ARG A 1 304 ? -15.393 45.876 -34.101 1.00 45.58 ? 371 ARG A CD 1 ATOM 2224 N NE . ARG A 1 304 ? -15.639 44.665 -33.316 1.00 44.42 ? 371 ARG A NE 1 ATOM 2225 C CZ . ARG A 1 304 ? -16.205 43.533 -33.771 1.00 41.08 ? 371 ARG A CZ 1 ATOM 2226 N NH1 . ARG A 1 304 ? -16.591 43.421 -35.028 1.00 41.04 ? 371 ARG A NH1 1 ATOM 2227 N NH2 . ARG A 1 304 ? -16.325 42.482 -32.970 1.00 38.34 ? 371 ARG A NH2 1 ATOM 2228 N N . SER A 1 305 ? -12.192 51.114 -33.709 1.00 46.57 ? 372 SER A N 1 ATOM 2229 C CA . SER A 1 305 ? -11.716 52.285 -34.349 1.00 43.05 ? 372 SER A CA 1 ATOM 2230 C C . SER A 1 305 ? -10.224 52.451 -34.045 1.00 43.09 ? 372 SER A C 1 ATOM 2231 O O . SER A 1 305 ? -9.763 52.246 -32.944 1.00 36.90 ? 372 SER A O 1 ATOM 2232 C CB . SER A 1 305 ? -12.535 53.390 -33.796 1.00 45.55 ? 372 SER A CB 1 ATOM 2233 O OG . SER A 1 305 ? -11.765 54.486 -33.683 1.00 57.85 ? 372 SER A OG 1 ATOM 2234 N N . GLY A 1 306 ? -9.477 52.794 -35.074 1.00 38.79 ? 373 GLY A N 1 ATOM 2235 C CA . GLY A 1 306 ? -8.025 52.866 -34.985 1.00 36.32 ? 373 GLY A CA 1 ATOM 2236 C C . GLY A 1 306 ? -7.329 51.545 -34.862 1.00 35.75 ? 373 GLY A C 1 ATOM 2237 O O . GLY A 1 306 ? -7.969 50.501 -34.680 1.00 34.97 ? 373 GLY A O 1 ATOM 2238 N N . TYR A 1 307 ? -6.013 51.575 -35.021 1.00 35.60 ? 374 TYR A N 1 ATOM 2239 C CA . TYR A 1 307 ? -5.222 50.406 -34.816 1.00 35.15 ? 374 TYR A CA 1 ATOM 2240 C C . TYR A 1 307 ? -3.800 50.804 -34.525 1.00 36.88 ? 374 TYR A C 1 ATOM 2241 O O . TYR A 1 307 ? -3.226 51.675 -35.199 1.00 36.59 ? 374 TYR A O 1 ATOM 2242 C CB . TYR A 1 307 ? -5.280 49.464 -36.051 1.00 38.17 ? 374 TYR A CB 1 ATOM 2243 C CG . TYR A 1 307 ? -4.964 48.026 -35.708 1.00 35.97 ? 374 TYR A CG 1 ATOM 2244 C CD1 . TYR A 1 307 ? -5.942 47.181 -35.254 1.00 34.02 ? 374 TYR A CD1 1 ATOM 2245 C CD2 . TYR A 1 307 ? -3.682 47.551 -35.775 1.00 34.85 ? 374 TYR A CD2 1 ATOM 2246 C CE1 . TYR A 1 307 ? -5.652 45.897 -34.839 1.00 37.76 ? 374 TYR A CE1 1 ATOM 2247 C CE2 . TYR A 1 307 ? -3.371 46.229 -35.411 1.00 34.75 ? 374 TYR A CE2 1 ATOM 2248 C CZ . TYR A 1 307 ? -4.340 45.411 -34.927 1.00 37.56 ? 374 TYR A CZ 1 ATOM 2249 O OH . TYR A 1 307 ? -4.074 44.107 -34.542 1.00 36.23 ? 374 TYR A OH 1 ATOM 2250 N N . GLU A 1 308 ? -3.199 50.087 -33.569 1.00 39.33 ? 375 GLU A N 1 ATOM 2251 C CA . GLU A 1 308 ? -1.814 50.347 -33.057 1.00 37.85 ? 375 GLU A CA 1 ATOM 2252 C C . GLU A 1 308 ? -1.129 49.040 -32.752 1.00 37.89 ? 375 GLU A C 1 ATOM 2253 O O . GLU A 1 308 ? -1.778 48.026 -32.426 1.00 39.30 ? 375 GLU A O 1 ATOM 2254 C CB . GLU A 1 308 ? -1.832 51.175 -31.785 1.00 40.98 ? 375 GLU A CB 1 ATOM 2255 C CG . GLU A 1 308 ? -2.578 50.542 -30.600 1.00 42.68 ? 375 GLU A CG 1 ATOM 2256 C CD . GLU A 1 308 ? -2.633 51.430 -29.317 1.00 47.32 ? 375 GLU A CD 1 ATOM 2257 O OE1 . GLU A 1 308 ? -1.933 52.460 -29.298 1.00 45.50 ? 375 GLU A OE1 1 ATOM 2258 O OE2 . GLU A 1 308 ? -3.377 51.125 -28.308 1.00 43.61 ? 375 GLU A OE2 1 ATOM 2259 N N . THR A 1 309 ? 0.182 49.048 -32.911 1.00 37.60 ? 376 THR A N 1 ATOM 2260 C CA . THR A 1 309 ? 1.011 47.908 -32.522 1.00 38.27 ? 376 THR A CA 1 ATOM 2261 C C . THR A 1 309 ? 2.041 48.394 -31.535 1.00 35.19 ? 376 THR A C 1 ATOM 2262 O O . THR A 1 309 ? 2.443 49.520 -31.593 1.00 33.34 ? 376 THR A O 1 ATOM 2263 C CB . THR A 1 309 ? 1.752 47.217 -33.722 1.00 38.42 ? 376 THR A CB 1 ATOM 2264 O OG1 . THR A 1 309 ? 2.415 48.202 -34.513 1.00 40.74 ? 376 THR A OG1 1 ATOM 2265 C CG2 . THR A 1 309 ? 0.774 46.540 -34.589 1.00 46.38 ? 376 THR A CG2 1 ATOM 2266 N N . PHE A 1 310 ? 2.527 47.475 -30.708 1.00 36.23 ? 377 PHE A N 1 ATOM 2267 C CA . PHE A 1 310 ? 3.647 47.753 -29.850 1.00 35.67 ? 377 PHE A CA 1 ATOM 2268 C C . PHE A 1 310 ? 4.177 46.471 -29.236 1.00 38.08 ? 377 PHE A C 1 ATOM 2269 O O . PHE A 1 310 ? 3.596 45.399 -29.397 1.00 38.50 ? 377 PHE A O 1 ATOM 2270 C CB . PHE A 1 310 ? 3.264 48.744 -28.756 1.00 34.74 ? 377 PHE A CB 1 ATOM 2271 C CG . PHE A 1 310 ? 2.050 48.390 -28.016 1.00 35.18 ? 377 PHE A CG 1 ATOM 2272 C CD1 . PHE A 1 310 ? 2.070 47.432 -27.028 1.00 40.75 ? 377 PHE A CD1 1 ATOM 2273 C CD2 . PHE A 1 310 ? 0.868 49.038 -28.260 1.00 42.74 ? 377 PHE A CD2 1 ATOM 2274 C CE1 . PHE A 1 310 ? 0.911 47.103 -26.302 1.00 42.56 ? 377 PHE A CE1 1 ATOM 2275 C CE2 . PHE A 1 310 ? -0.290 48.749 -27.522 1.00 47.33 ? 377 PHE A CE2 1 ATOM 2276 C CZ . PHE A 1 310 ? -0.265 47.756 -26.560 1.00 46.11 ? 377 PHE A CZ 1 ATOM 2277 N N . ARG A 1 311 ? 5.316 46.617 -28.584 1.00 37.51 ? 378 ARG A N 1 ATOM 2278 C CA . ARG A 1 311 ? 5.901 45.591 -27.816 1.00 40.58 ? 378 ARG A CA 1 ATOM 2279 C C . ARG A 1 311 ? 5.787 45.903 -26.301 1.00 44.82 ? 378 ARG A C 1 ATOM 2280 O O . ARG A 1 311 ? 5.915 47.059 -25.872 1.00 39.93 ? 378 ARG A O 1 ATOM 2281 C CB . ARG A 1 311 ? 7.336 45.494 -28.208 1.00 41.81 ? 378 ARG A CB 1 ATOM 2282 C CG . ARG A 1 311 ? 8.083 44.435 -27.444 1.00 48.58 ? 378 ARG A CG 1 ATOM 2283 C CD . ARG A 1 311 ? 9.365 44.068 -28.195 1.00 56.77 ? 378 ARG A CD 1 ATOM 2284 N NE . ARG A 1 311 ? 10.539 44.537 -27.497 1.00 63.19 ? 378 ARG A NE 1 ATOM 2285 C CZ . ARG A 1 311 ? 11.300 45.544 -27.867 1.00 63.17 ? 378 ARG A CZ 1 ATOM 2286 N NH1 . ARG A 1 311 ? 12.318 45.858 -27.120 1.00 56.63 ? 378 ARG A NH1 1 ATOM 2287 N NH2 . ARG A 1 311 ? 11.050 46.213 -28.973 1.00 73.16 ? 378 ARG A NH2 1 ATOM 2288 N N . VAL A 1 312 ? 5.535 44.872 -25.511 1.00 42.69 ? 379 VAL A N 1 ATOM 2289 C CA . VAL A 1 312 ? 5.474 45.024 -24.057 1.00 42.94 ? 379 VAL A CA 1 ATOM 2290 C C . VAL A 1 312 ? 6.619 44.227 -23.473 1.00 43.27 ? 379 VAL A C 1 ATOM 2291 O O . VAL A 1 312 ? 6.642 42.995 -23.638 1.00 36.06 ? 379 VAL A O 1 ATOM 2292 C CB . VAL A 1 312 ? 4.154 44.530 -23.448 1.00 43.17 ? 379 VAL A CB 1 ATOM 2293 C CG1 . VAL A 1 312 ? 4.119 44.764 -21.923 1.00 47.73 ? 379 VAL A CG1 1 ATOM 2294 C CG2 . VAL A 1 312 ? 2.984 45.210 -24.116 1.00 40.40 ? 379 VAL A CG2 1 ATOM 2295 N N . THR A 1 313 ? 7.576 44.921 -22.827 1.00 44.56 ? 380 THR A N 1 ATOM 2296 C CA . THR A 1 313 ? 8.774 44.238 -22.297 1.00 48.46 ? 380 THR A CA 1 ATOM 2297 C C . THR A 1 313 ? 8.290 43.385 -21.103 1.00 48.26 ? 380 THR A C 1 ATOM 2298 O O . THR A 1 313 ? 7.495 43.841 -20.284 1.00 42.72 ? 380 THR A O 1 ATOM 2299 C CB . THR A 1 313 ? 9.931 45.182 -21.933 1.00 51.13 ? 380 THR A CB 1 ATOM 2300 O OG1 . THR A 1 313 ? 9.484 46.077 -20.934 1.00 66.00 ? 380 THR A OG1 1 ATOM 2301 C CG2 . THR A 1 313 ? 10.371 46.007 -23.128 1.00 53.27 ? 380 THR A CG2 1 ATOM 2302 N N . ASP A 1 314 ? 8.684 42.123 -21.102 1.00 43.49 ? 381 ASP A N 1 ATOM 2303 C CA . ASP A 1 314 ? 8.232 41.158 -20.101 1.00 47.70 ? 381 ASP A CA 1 ATOM 2304 C C . ASP A 1 314 ? 6.764 40.786 -20.178 1.00 46.71 ? 381 ASP A C 1 ATOM 2305 O O . ASP A 1 314 ? 6.248 40.105 -19.299 1.00 45.69 ? 381 ASP A O 1 ATOM 2306 C CB . ASP A 1 314 ? 8.637 41.611 -18.683 1.00 50.83 ? 381 ASP A CB 1 ATOM 2307 C CG . ASP A 1 314 ? 10.171 41.652 -18.514 1.00 58.61 ? 381 ASP A CG 1 ATOM 2308 O OD1 . ASP A 1 314 ? 10.836 40.637 -18.795 1.00 57.49 ? 381 ASP A OD1 1 ATOM 2309 O OD2 . ASP A 1 314 ? 10.721 42.711 -18.164 1.00 63.53 ? 381 ASP A OD2 1 ATOM 2310 N N . GLY A 1 315 ? 6.096 41.222 -21.238 1.00 47.64 ? 382 GLY A N 1 ATOM 2311 C CA . GLY A 1 315 ? 4.645 41.078 -21.337 1.00 40.80 ? 382 GLY A CA 1 ATOM 2312 C C . GLY A 1 315 ? 4.213 39.672 -21.677 1.00 38.87 ? 382 GLY A C 1 ATOM 2313 O O . GLY A 1 315 ? 3.036 39.356 -21.601 1.00 48.35 ? 382 GLY A O 1 ATOM 2314 N N . TRP A 1 316 ? 5.142 38.837 -22.086 1.00 37.90 ? 383 TRP A N 1 ATOM 2315 C CA . TRP A 1 316 ? 4.847 37.438 -22.267 1.00 42.21 ? 383 TRP A CA 1 ATOM 2316 C C . TRP A 1 316 ? 4.977 36.557 -21.021 1.00 47.68 ? 383 TRP A C 1 ATOM 2317 O O . TRP A 1 316 ? 4.269 35.573 -20.909 1.00 47.03 ? 383 TRP A O 1 ATOM 2318 C CB . TRP A 1 316 ? 5.738 36.840 -23.366 1.00 44.58 ? 383 TRP A CB 1 ATOM 2319 C CG . TRP A 1 316 ? 5.222 35.551 -23.832 1.00 44.28 ? 383 TRP A CG 1 ATOM 2320 C CD1 . TRP A 1 316 ? 5.732 34.349 -23.569 1.00 47.78 ? 383 TRP A CD1 1 ATOM 2321 C CD2 . TRP A 1 316 ? 4.006 35.324 -24.569 1.00 46.93 ? 383 TRP A CD2 1 ATOM 2322 N NE1 . TRP A 1 316 ? 4.942 33.366 -24.115 1.00 48.69 ? 383 TRP A NE1 1 ATOM 2323 C CE2 . TRP A 1 316 ? 3.877 33.947 -24.737 1.00 47.05 ? 383 TRP A CE2 1 ATOM 2324 C CE3 . TRP A 1 316 ? 3.054 36.158 -25.140 1.00 45.48 ? 383 TRP A CE3 1 ATOM 2325 C CZ2 . TRP A 1 316 ? 2.852 33.378 -25.443 1.00 50.05 ? 383 TRP A CZ2 1 ATOM 2326 C CZ3 . TRP A 1 316 ? 2.045 35.607 -25.848 1.00 48.27 ? 383 TRP A CZ3 1 ATOM 2327 C CH2 . TRP A 1 316 ? 1.954 34.214 -26.012 1.00 49.85 ? 383 TRP A CH2 1 ATOM 2328 N N . THR A 1 317 ? 5.911 36.855 -20.122 1.00 52.82 ? 384 THR A N 1 ATOM 2329 C CA . THR A 1 317 ? 6.170 35.945 -18.988 1.00 53.29 ? 384 THR A CA 1 ATOM 2330 C C . THR A 1 317 ? 5.919 36.511 -17.603 1.00 51.23 ? 384 THR A C 1 ATOM 2331 O O . THR A 1 317 ? 5.938 35.780 -16.673 1.00 53.48 ? 384 THR A O 1 ATOM 2332 C CB . THR A 1 317 ? 7.603 35.370 -19.013 1.00 50.42 ? 384 THR A CB 1 ATOM 2333 O OG1 . THR A 1 317 ? 8.565 36.440 -19.072 1.00 50.19 ? 384 THR A OG1 1 ATOM 2334 C CG2 . THR A 1 317 ? 7.767 34.429 -20.212 1.00 52.71 ? 384 THR A CG2 1 ATOM 2335 N N . THR A 1 318 ? 5.689 37.803 -17.473 1.00 52.80 ? 385 THR A N 1 ATOM 2336 C CA . THR A 1 318 ? 5.364 38.408 -16.192 1.00 53.19 ? 385 THR A CA 1 ATOM 2337 C C . THR A 1 318 ? 3.958 38.953 -16.193 1.00 51.44 ? 385 THR A C 1 ATOM 2338 O O . THR A 1 318 ? 3.640 39.888 -16.924 1.00 59.04 ? 385 THR A O 1 ATOM 2339 C CB . THR A 1 318 ? 6.316 39.581 -15.866 1.00 57.98 ? 385 THR A CB 1 ATOM 2340 O OG1 . THR A 1 318 ? 7.658 39.115 -15.881 1.00 55.77 ? 385 THR A OG1 1 ATOM 2341 C CG2 . THR A 1 318 ? 6.004 40.217 -14.497 1.00 53.86 ? 385 THR A CG2 1 ATOM 2342 N N . ALA A 1 319 ? 3.159 38.454 -15.271 1.00 53.81 ? 386 ALA A N 1 ATOM 2343 C CA . ALA A 1 319 ? 1.802 38.938 -15.076 1.00 54.75 ? 386 ALA A CA 1 ATOM 2344 C C . ALA A 1 319 ? 1.732 40.458 -14.911 1.00 55.63 ? 386 ALA A C 1 ATOM 2345 O O . ALA A 1 319 ? 2.439 41.053 -14.092 1.00 49.22 ? 386 ALA A O 1 ATOM 2346 C CB . ALA A 1 319 ? 1.153 38.258 -13.870 1.00 54.48 ? 386 ALA A CB 1 ATOM 2347 N N . ASN A 1 320 ? 0.887 41.063 -15.738 1.00 55.06 ? 387 ASN A N 1 ATOM 2348 C CA . ASN A 1 320 ? 0.500 42.434 -15.585 1.00 51.83 ? 387 ASN A CA 1 ATOM 2349 C C . ASN A 1 320 ? 1.546 43.468 -15.987 1.00 51.88 ? 387 ASN A C 1 ATOM 2350 O O . ASN A 1 320 ? 1.392 44.642 -15.650 1.00 51.77 ? 387 ASN A O 1 ATOM 2351 C CB . ASN A 1 320 ? 0.058 42.642 -14.140 1.00 55.68 ? 387 ASN A CB 1 ATOM 2352 C CG . ASN A 1 320 ? -1.239 43.382 -14.051 1.00 61.32 ? 387 ASN A CG 1 ATOM 2353 O OD1 . ASN A 1 320 ? -2.196 43.048 -14.721 1.00 64.72 ? 387 ASN A OD1 1 ATOM 2354 N ND2 . ASN A 1 320 ? -1.279 44.410 -13.241 1.00 74.79 ? 387 ASN A ND2 1 ATOM 2355 N N . SER A 1 321 ? 2.592 43.100 -16.737 1.00 49.17 ? 388 SER A N 1 ATOM 2356 C CA . SER A 1 321 ? 3.519 44.149 -17.242 1.00 49.75 ? 388 SER A CA 1 ATOM 2357 C C . SER A 1 321 ? 2.789 45.139 -18.106 1.00 51.80 ? 388 SER A C 1 ATOM 2358 O O . SER A 1 321 ? 1.952 44.752 -18.930 1.00 49.41 ? 388 SER A O 1 ATOM 2359 C CB . SER A 1 321 ? 4.676 43.633 -18.092 1.00 49.52 ? 388 SER A CB 1 ATOM 2360 O OG . SER A 1 321 ? 5.132 42.434 -17.543 1.00 67.95 ? 388 SER A OG 1 ATOM 2361 N N . LYS A 1 322 ? 3.141 46.413 -17.927 1.00 51.82 ? 389 LYS A N 1 ATOM 2362 C CA . LYS A 1 322 ? 2.544 47.517 -18.648 1.00 46.94 ? 389 LYS A CA 1 ATOM 2363 C C . LYS A 1 322 ? 3.628 48.396 -19.274 1.00 47.29 ? 389 LYS A C 1 ATOM 2364 O O . LYS A 1 322 ? 3.398 49.526 -19.672 1.00 51.07 ? 389 LYS A O 1 ATOM 2365 C CB . LYS A 1 322 ? 1.677 48.315 -17.727 1.00 49.54 ? 389 LYS A CB 1 ATOM 2366 C CG . LYS A 1 322 ? 0.415 47.558 -17.377 1.00 54.28 ? 389 LYS A CG 1 ATOM 2367 C CD . LYS A 1 322 ? -0.601 48.424 -16.685 1.00 49.73 ? 389 LYS A CD 1 ATOM 2368 C CE . LYS A 1 322 ? -1.746 47.548 -16.199 1.00 50.98 ? 389 LYS A CE 1 ATOM 2369 N NZ . LYS A 1 322 ? -2.908 48.396 -15.866 1.00 54.85 ? 389 LYS A NZ 1 ATOM 2370 N N . SER A 1 323 ? 4.773 47.806 -19.485 1.00 44.15 ? 390 SER A N 1 ATOM 2371 C CA . SER A 1 323 ? 5.927 48.520 -19.952 1.00 48.79 ? 390 SER A CA 1 ATOM 2372 C C . SER A 1 323 ? 6.056 48.498 -21.523 1.00 45.93 ? 390 SER A C 1 ATOM 2373 O O . SER A 1 323 ? 6.734 47.646 -22.124 1.00 47.13 ? 390 SER A O 1 ATOM 2374 C CB . SER A 1 323 ? 7.098 47.858 -19.257 1.00 51.91 ? 390 SER A CB 1 ATOM 2375 O OG . SER A 1 323 ? 8.211 48.587 -19.631 1.00 67.55 ? 390 SER A OG 1 ATOM 2376 N N . GLN A 1 324 ? 5.435 49.445 -22.217 1.00 43.67 ? 391 GLN A N 1 ATOM 2377 C CA . GLN A 1 324 ? 5.502 49.390 -23.655 1.00 44.51 ? 391 GLN A CA 1 ATOM 2378 C C . GLN A 1 324 ? 6.602 50.116 -24.282 1.00 43.39 ? 391 GLN A C 1 ATOM 2379 O O . GLN A 1 324 ? 7.061 51.103 -23.787 1.00 44.29 ? 391 GLN A O 1 ATOM 2380 C CB . GLN A 1 324 ? 4.173 49.694 -24.369 1.00 50.60 ? 391 GLN A CB 1 ATOM 2381 C CG . GLN A 1 324 ? 3.710 51.094 -24.372 1.00 53.41 ? 391 GLN A CG 1 ATOM 2382 C CD . GLN A 1 324 ? 2.835 51.381 -25.589 1.00 49.85 ? 391 GLN A CD 1 ATOM 2383 O OE1 . GLN A 1 324 ? 3.249 52.047 -26.521 1.00 44.58 ? 391 GLN A OE1 1 ATOM 2384 N NE2 . GLN A 1 324 ? 1.588 50.981 -25.518 1.00 49.27 ? 391 GLN A NE2 1 ATOM 2385 N N . VAL A 1 325 ? 6.952 49.652 -25.464 1.00 44.91 ? 392 VAL A N 1 ATOM 2386 C CA . VAL A 1 325 ? 7.922 50.306 -26.324 1.00 48.14 ? 392 VAL A CA 1 ATOM 2387 C C . VAL A 1 325 ? 7.587 50.027 -27.823 1.00 45.74 ? 392 VAL A C 1 ATOM 2388 O O . VAL A 1 325 ? 6.878 49.106 -28.136 1.00 42.23 ? 392 VAL A O 1 ATOM 2389 C CB . VAL A 1 325 ? 9.356 49.853 -25.894 1.00 52.05 ? 392 VAL A CB 1 ATOM 2390 C CG1 . VAL A 1 325 ? 9.578 48.388 -26.135 1.00 49.61 ? 392 VAL A CG1 1 ATOM 2391 C CG2 . VAL A 1 325 ? 10.424 50.629 -26.649 1.00 60.64 ? 392 VAL A CG2 1 ATOM 2392 N N . ASN A 1 326 ? 8.113 50.845 -28.718 1.00 46.89 ? 393 ASN A N 1 ATOM 2393 C CA . ASN A 1 326 ? 8.004 50.660 -30.157 1.00 43.85 ? 393 ASN A CA 1 ATOM 2394 C C . ASN A 1 326 ? 6.605 50.743 -30.721 1.00 43.98 ? 393 ASN A C 1 ATOM 2395 O O . ASN A 1 326 ? 6.204 49.951 -31.555 1.00 40.62 ? 393 ASN A O 1 ATOM 2396 C CB . ASN A 1 326 ? 8.627 49.336 -30.588 1.00 45.52 ? 393 ASN A CB 1 ATOM 2397 C CG . ASN A 1 326 ? 10.126 49.298 -30.408 1.00 46.24 ? 393 ASN A CG 1 ATOM 2398 O OD1 . ASN A 1 326 ? 10.681 48.240 -30.273 1.00 46.95 ? 393 ASN A OD1 1 ATOM 2399 N ND2 . ASN A 1 326 ? 10.790 50.448 -30.411 1.00 45.93 ? 393 ASN A ND2 1 ATOM 2400 N N . ARG A 1 327 ? 5.849 51.686 -30.210 1.00 46.73 ? 394 ARG A N 1 ATOM 2401 C CA . ARG A 1 327 ? 4.502 51.867 -30.677 1.00 42.12 ? 394 ARG A CA 1 ATOM 2402 C C . ARG A 1 327 ? 4.474 52.405 -32.087 1.00 39.55 ? 394 ARG A C 1 ATOM 2403 O O . ARG A 1 327 ? 5.339 53.221 -32.474 1.00 42.60 ? 394 ARG A O 1 ATOM 2404 C CB . ARG A 1 327 ? 3.781 52.823 -29.791 1.00 39.21 ? 394 ARG A CB 1 ATOM 2405 C CG . ARG A 1 327 ? 2.369 53.111 -30.267 1.00 45.50 ? 394 ARG A CG 1 ATOM 2406 C CD . ARG A 1 327 ? 1.660 53.938 -29.230 1.00 44.37 ? 394 ARG A CD 1 ATOM 2407 N NE . ARG A 1 327 ? 0.261 54.114 -29.540 1.00 46.47 ? 394 ARG A NE 1 ATOM 2408 C CZ . ARG A 1 327 ? -0.334 55.240 -29.891 1.00 46.94 ? 394 ARG A CZ 1 ATOM 2409 N NH1 . ARG A 1 327 ? 0.330 56.395 -30.028 1.00 54.81 ? 394 ARG A NH1 1 ATOM 2410 N NH2 . ARG A 1 327 ? -1.629 55.211 -30.133 1.00 47.31 ? 394 ARG A NH2 1 ATOM 2411 N N . GLN A 1 328 ? 3.532 51.883 -32.857 1.00 35.20 ? 395 GLN A N 1 ATOM 2412 C CA . GLN A 1 328 ? 3.220 52.416 -34.212 1.00 39.29 ? 395 GLN A CA 1 ATOM 2413 C C . GLN A 1 328 ? 1.746 52.510 -34.413 1.00 35.92 ? 395 GLN A C 1 ATOM 2414 O O . GLN A 1 328 ? 0.999 51.590 -34.068 1.00 40.43 ? 395 GLN A O 1 ATOM 2415 C CB . GLN A 1 328 ? 3.780 51.563 -35.345 1.00 34.76 ? 395 GLN A CB 1 ATOM 2416 C CG . GLN A 1 328 ? 5.286 51.377 -35.366 1.00 37.35 ? 395 GLN A CG 1 ATOM 2417 C CD . GLN A 1 328 ? 5.729 50.340 -36.407 1.00 38.76 ? 395 GLN A CD 1 ATOM 2418 O OE1 . GLN A 1 328 ? 6.072 49.187 -36.076 1.00 44.51 ? 395 GLN A OE1 1 ATOM 2419 N NE2 . GLN A 1 328 ? 5.706 50.724 -37.640 1.00 37.87 ? 395 GLN A NE2 1 ATOM 2420 N N . ILE A 1 329 ? 1.339 53.638 -34.954 1.00 39.52 ? 396 ILE A N 1 ATOM 2421 C CA . ILE A 1 329 ? -0.018 53.818 -35.469 1.00 41.06 ? 396 ILE A CA 1 ATOM 2422 C C . ILE A 1 329 ? -0.143 53.257 -36.853 1.00 40.45 ? 396 ILE A C 1 ATOM 2423 O O . ILE A 1 329 ? 0.642 53.580 -37.763 1.00 39.54 ? 396 ILE A O 1 ATOM 2424 C CB . ILE A 1 329 ? -0.378 55.297 -35.484 1.00 41.88 ? 396 ILE A CB 1 ATOM 2425 C CG1 . ILE A 1 329 ? -0.499 55.761 -34.001 1.00 44.16 ? 396 ILE A CG1 1 ATOM 2426 C CG2 . ILE A 1 329 ? -1.692 55.463 -36.231 1.00 42.68 ? 396 ILE A CG2 1 ATOM 2427 C CD1 . ILE A 1 329 ? -0.928 57.186 -33.843 1.00 46.35 ? 396 ILE A CD1 1 ATOM 2428 N N . ILE A 1 330 ? -1.076 52.346 -37.004 1.00 42.39 ? 397 ILE A N 1 ATOM 2429 C CA . ILE A 1 330 ? -1.353 51.769 -38.336 1.00 40.17 ? 397 ILE A CA 1 ATOM 2430 C C . ILE A 1 330 ? -2.542 52.465 -39.003 1.00 38.43 ? 397 ILE A C 1 ATOM 2431 O O . ILE A 1 330 ? -2.489 52.825 -40.191 1.00 42.09 ? 397 ILE A O 1 ATOM 2432 C CB . ILE A 1 330 ? -1.638 50.265 -38.219 1.00 39.75 ? 397 ILE A CB 1 ATOM 2433 C CG1 . ILE A 1 330 ? -0.524 49.572 -37.410 1.00 41.90 ? 397 ILE A CG1 1 ATOM 2434 C CG2 . ILE A 1 330 ? -1.758 49.660 -39.605 1.00 41.28 ? 397 ILE A CG2 1 ATOM 2435 C CD1 . ILE A 1 330 ? 0.860 49.610 -38.057 1.00 40.49 ? 397 ILE A CD1 1 ATOM 2436 N N . VAL A 1 331 ? -3.612 52.619 -38.232 1.00 34.97 ? 398 VAL A N 1 ATOM 2437 C CA . VAL A 1 331 ? -4.791 53.373 -38.659 1.00 35.79 ? 398 VAL A CA 1 ATOM 2438 C C . VAL A 1 331 ? -5.144 54.352 -37.535 1.00 38.78 ? 398 VAL A C 1 ATOM 2439 O O . VAL A 1 331 ? -5.315 53.945 -36.396 1.00 41.37 ? 398 VAL A O 1 ATOM 2440 C CB . VAL A 1 331 ? -6.005 52.431 -38.822 1.00 35.47 ? 398 VAL A CB 1 ATOM 2441 C CG1 . VAL A 1 331 ? -7.221 53.209 -39.194 1.00 34.47 ? 398 VAL A CG1 1 ATOM 2442 C CG2 . VAL A 1 331 ? -5.719 51.355 -39.833 1.00 35.81 ? 398 VAL A CG2 1 ATOM 2443 N N . ASP A 1 332 ? -5.271 55.626 -37.848 1.00 43.23 ? 399 ASP A N 1 ATOM 2444 C CA . ASP A 1 332 ? -5.534 56.651 -36.809 1.00 44.88 ? 399 ASP A CA 1 ATOM 2445 C C . ASP A 1 332 ? -6.937 56.502 -36.259 1.00 43.27 ? 399 ASP A C 1 ATOM 2446 O O . ASP A 1 332 ? -7.820 55.850 -36.881 1.00 42.86 ? 399 ASP A O 1 ATOM 2447 C CB . ASP A 1 332 ? -5.317 58.063 -37.358 1.00 46.72 ? 399 ASP A CB 1 ATOM 2448 C CG . ASP A 1 332 ? -6.266 58.381 -38.527 1.00 57.38 ? 399 ASP A CG 1 ATOM 2449 O OD1 . ASP A 1 332 ? -5.843 58.458 -39.731 1.00 72.84 ? 399 ASP A OD1 1 ATOM 2450 O OD2 . ASP A 1 332 ? -7.459 58.517 -38.244 1.00 52.46 ? 399 ASP A OD2 1 ATOM 2451 N N . ASN A 1 333 ? -7.130 57.076 -35.080 1.00 40.63 ? 400 ASN A N 1 ATOM 2452 C CA . ASN A 1 333 ? -8.393 56.893 -34.346 1.00 46.21 ? 400 ASN A CA 1 ATOM 2453 C C . ASN A 1 333 ? -9.587 57.690 -34.880 1.00 45.95 ? 400 ASN A C 1 ATOM 2454 O O . ASN A 1 333 ? -10.629 57.632 -34.292 1.00 38.05 ? 400 ASN A O 1 ATOM 2455 C CB . ASN A 1 333 ? -8.238 57.145 -32.850 1.00 48.51 ? 400 ASN A CB 1 ATOM 2456 C CG . ASN A 1 333 ? -9.344 56.482 -32.022 1.00 53.00 ? 400 ASN A CG 1 ATOM 2457 O OD1 . ASN A 1 333 ? -9.859 55.397 -32.337 1.00 57.49 ? 400 ASN A OD1 1 ATOM 2458 N ND2 . ASN A 1 333 ? -9.695 57.118 -30.932 1.00 54.63 ? 400 ASN A ND2 1 ATOM 2459 N N . ASN A 1 334 ? -9.432 58.397 -35.993 1.00 43.82 ? 401 ASN A N 1 ATOM 2460 C CA . ASN A 1 334 ? -10.568 58.914 -36.716 1.00 49.66 ? 401 ASN A CA 1 ATOM 2461 C C . ASN A 1 334 ? -11.098 58.002 -37.797 1.00 47.70 ? 401 ASN A C 1 ATOM 2462 O O . ASN A 1 334 ? -11.936 58.435 -38.589 1.00 46.77 ? 401 ASN A O 1 ATOM 2463 C CB . ASN A 1 334 ? -10.219 60.239 -37.371 1.00 53.79 ? 401 ASN A CB 1 ATOM 2464 C CG . ASN A 1 334 ? -9.921 61.296 -36.353 1.00 62.10 ? 401 ASN A CG 1 ATOM 2465 O OD1 . ASN A 1 334 ? -10.583 61.384 -35.321 1.00 64.33 ? 401 ASN A OD1 1 ATOM 2466 N ND2 . ASN A 1 334 ? -8.922 62.109 -36.632 1.00 75.25 ? 401 ASN A ND2 1 ATOM 2467 N N . ASN A 1 335 ? -10.637 56.752 -37.831 1.00 44.53 ? 402 ASN A N 1 ATOM 2468 C CA . ASN A 1 335 ? -11.049 55.830 -38.880 1.00 40.01 ? 402 ASN A CA 1 ATOM 2469 C C . ASN A 1 335 ? -11.371 54.483 -38.310 1.00 41.85 ? 402 ASN A C 1 ATOM 2470 O O . ASN A 1 335 ? -10.830 54.081 -37.275 1.00 43.34 ? 402 ASN A O 1 ATOM 2471 C CB . ASN A 1 335 ? -9.922 55.698 -39.904 1.00 43.65 ? 402 ASN A CB 1 ATOM 2472 C CG . ASN A 1 335 ? -9.819 56.904 -40.795 1.00 44.98 ? 402 ASN A CG 1 ATOM 2473 O OD1 . ASN A 1 335 ? -10.587 57.061 -41.732 1.00 47.03 ? 402 ASN A OD1 1 ATOM 2474 N ND2 . ASN A 1 335 ? -8.906 57.755 -40.504 1.00 45.55 ? 402 ASN A ND2 1 ATOM 2475 N N . TRP A 1 336 ? -12.232 53.759 -39.011 1.00 37.50 ? 403 TRP A N 1 ATOM 2476 C CA . TRP A 1 336 ? -12.717 52.494 -38.557 1.00 39.30 ? 403 TRP A CA 1 ATOM 2477 C C . TRP A 1 336 ? -11.695 51.441 -38.860 1.00 41.07 ? 403 TRP A C 1 ATOM 2478 O O . TRP A 1 336 ? -11.044 51.462 -39.929 1.00 45.50 ? 403 TRP A O 1 ATOM 2479 C CB . TRP A 1 336 ? -14.064 52.133 -39.261 1.00 43.95 ? 403 TRP A CB 1 ATOM 2480 C CG . TRP A 1 336 ? -15.069 53.114 -38.946 1.00 47.53 ? 403 TRP A CG 1 ATOM 2481 C CD1 . TRP A 1 336 ? -15.582 54.061 -39.795 1.00 47.15 ? 403 TRP A CD1 1 ATOM 2482 C CD2 . TRP A 1 336 ? -15.652 53.359 -37.658 1.00 44.66 ? 403 TRP A CD2 1 ATOM 2483 N NE1 . TRP A 1 336 ? -16.460 54.850 -39.115 1.00 49.42 ? 403 TRP A NE1 1 ATOM 2484 C CE2 . TRP A 1 336 ? -16.515 54.476 -37.804 1.00 45.14 ? 403 TRP A CE2 1 ATOM 2485 C CE3 . TRP A 1 336 ? -15.505 52.774 -36.395 1.00 47.80 ? 403 TRP A CE3 1 ATOM 2486 C CZ2 . TRP A 1 336 ? -17.264 55.017 -36.732 1.00 46.41 ? 403 TRP A CZ2 1 ATOM 2487 C CZ3 . TRP A 1 336 ? -16.265 53.289 -35.309 1.00 47.78 ? 403 TRP A CZ3 1 ATOM 2488 C CH2 . TRP A 1 336 ? -17.134 54.400 -35.490 1.00 48.65 ? 403 TRP A CH2 1 ATOM 2489 N N . SER A 1 337 ? -11.623 50.468 -37.957 1.00 37.08 ? 404 SER A N 1 ATOM 2490 C CA . SER A 1 337 ? -10.850 49.283 -38.179 1.00 36.44 ? 404 SER A CA 1 ATOM 2491 C C . SER A 1 337 ? -11.775 48.084 -38.199 1.00 33.59 ? 404 SER A C 1 ATOM 2492 O O . SER A 1 337 ? -12.790 48.104 -38.848 1.00 42.81 ? 404 SER A O 1 ATOM 2493 C CB . SER A 1 337 ? -9.677 49.186 -37.155 1.00 39.61 ? 404 SER A CB 1 ATOM 2494 O OG . SER A 1 337 ? -10.129 49.167 -35.806 1.00 37.75 ? 404 SER A OG 1 ATOM 2495 N N . GLY A 1 338 ? -11.407 47.013 -37.521 1.00 38.89 ? 405 GLY A N 1 ATOM 2496 C CA . GLY A 1 338 ? -12.085 45.729 -37.612 1.00 33.24 ? 405 GLY A CA 1 ATOM 2497 C C . GLY A 1 338 ? -11.191 44.592 -37.130 1.00 34.26 ? 405 GLY A C 1 ATOM 2498 O O . GLY A 1 338 ? -10.331 44.767 -36.243 1.00 42.33 ? 405 GLY A O 1 ATOM 2499 N N . TYR A 1 339 ? -11.444 43.408 -37.628 1.00 34.41 ? 406 TYR A N 1 ATOM 2500 C CA . TYR A 1 339 ? -10.658 42.229 -37.255 1.00 33.50 ? 406 TYR A CA 1 ATOM 2501 C C . TYR A 1 339 ? -9.237 42.417 -37.677 1.00 35.50 ? 406 TYR A C 1 ATOM 2502 O O . TYR A 1 339 ? -8.942 43.180 -38.590 1.00 32.13 ? 406 TYR A O 1 ATOM 2503 C CB . TYR A 1 339 ? -11.195 40.964 -37.967 1.00 33.53 ? 406 TYR A CB 1 ATOM 2504 C CG . TYR A 1 339 ? -12.401 40.321 -37.373 1.00 33.60 ? 406 TYR A CG 1 ATOM 2505 C CD1 . TYR A 1 339 ? -13.208 40.970 -36.427 1.00 36.20 ? 406 TYR A CD1 1 ATOM 2506 C CD2 . TYR A 1 339 ? -12.791 39.070 -37.807 1.00 34.09 ? 406 TYR A CD2 1 ATOM 2507 C CE1 . TYR A 1 339 ? -14.369 40.335 -35.930 1.00 34.81 ? 406 TYR A CE1 1 ATOM 2508 C CE2 . TYR A 1 339 ? -13.897 38.427 -37.307 1.00 34.20 ? 406 TYR A CE2 1 ATOM 2509 C CZ . TYR A 1 339 ? -14.691 39.068 -36.368 1.00 36.45 ? 406 TYR A CZ 1 ATOM 2510 O OH . TYR A 1 339 ? -15.734 38.351 -35.855 1.00 34.88 ? 406 TYR A OH 1 ATOM 2511 N N . SER A 1 340 ? -8.332 41.677 -37.028 1.00 35.54 ? 407 SER A N 1 ATOM 2512 C CA . SER A 1 340 ? -6.953 41.654 -37.466 1.00 32.97 ? 407 SER A CA 1 ATOM 2513 C C . SER A 1 340 ? -6.450 40.311 -37.163 1.00 34.50 ? 407 SER A C 1 ATOM 2514 O O . SER A 1 340 ? -7.006 39.588 -36.351 1.00 36.65 ? 407 SER A O 1 ATOM 2515 C CB . SER A 1 340 ? -6.077 42.714 -36.760 1.00 34.33 ? 407 SER A CB 1 ATOM 2516 O OG . SER A 1 340 ? -6.198 42.607 -35.355 1.00 38.21 ? 407 SER A OG 1 ATOM 2517 N N . GLY A 1 341 ? -5.373 39.964 -37.845 1.00 36.90 ? 408 GLY A N 1 ATOM 2518 C CA . GLY A 1 341 ? -4.775 38.643 -37.691 1.00 36.93 ? 408 GLY A CA 1 ATOM 2519 C C . GLY A 1 341 ? -3.342 38.530 -38.214 1.00 37.77 ? 408 GLY A C 1 ATOM 2520 O O . GLY A 1 341 ? -2.837 39.426 -38.882 1.00 36.50 ? 408 GLY A O 1 ATOM 2521 N N . ILE A 1 342 ? -2.715 37.415 -37.882 1.00 35.94 ? 409 ILE A N 1 ATOM 2522 C CA . ILE A 1 342 ? -1.316 37.192 -38.135 1.00 38.15 ? 409 ILE A CA 1 ATOM 2523 C C . ILE A 1 342 ? -1.143 36.220 -39.319 1.00 37.60 ? 409 ILE A C 1 ATOM 2524 O O . ILE A 1 342 ? -1.997 35.386 -39.570 1.00 33.19 ? 409 ILE A O 1 ATOM 2525 C CB . ILE A 1 342 ? -0.648 36.656 -36.860 1.00 36.48 ? 409 ILE A CB 1 ATOM 2526 C CG1 . ILE A 1 342 ? 0.841 36.774 -36.935 1.00 40.12 ? 409 ILE A CG1 1 ATOM 2527 C CG2 . ILE A 1 342 ? -1.016 35.212 -36.560 1.00 34.11 ? 409 ILE A CG2 1 ATOM 2528 C CD1 . ILE A 1 342 ? 1.491 36.433 -35.588 1.00 43.25 ? 409 ILE A CD1 1 ATOM 2529 N N . PHE A 1 343 ? -0.059 36.396 -40.040 1.00 34.55 ? 410 PHE A N 1 ATOM 2530 C CA . PHE A 1 343 ? 0.453 35.376 -40.925 1.00 32.89 ? 410 PHE A CA 1 ATOM 2531 C C . PHE A 1 343 ? 1.945 35.350 -40.824 1.00 34.39 ? 410 PHE A C 1 ATOM 2532 O O . PHE A 1 343 ? 2.578 36.333 -40.382 1.00 38.31 ? 410 PHE A O 1 ATOM 2533 C CB . PHE A 1 343 ? -0.072 35.519 -42.372 1.00 33.26 ? 410 PHE A CB 1 ATOM 2534 C CG . PHE A 1 343 ? 0.351 36.737 -43.091 1.00 32.21 ? 410 PHE A CG 1 ATOM 2535 C CD1 . PHE A 1 343 ? 1.280 36.652 -44.127 1.00 35.50 ? 410 PHE A CD1 1 ATOM 2536 C CD2 . PHE A 1 343 ? -0.256 37.931 -42.853 1.00 32.63 ? 410 PHE A CD2 1 ATOM 2537 C CE1 . PHE A 1 343 ? 1.652 37.766 -44.856 1.00 32.02 ? 410 PHE A CE1 1 ATOM 2538 C CE2 . PHE A 1 343 ? 0.115 39.058 -43.568 1.00 34.63 ? 410 PHE A CE2 1 ATOM 2539 C CZ . PHE A 1 343 ? 1.086 38.973 -44.553 1.00 36.37 ? 410 PHE A CZ 1 ATOM 2540 N N . SER A 1 344 ? 2.530 34.245 -41.255 1.00 35.95 ? 411 SER A N 1 ATOM 2541 C CA . SER A 1 344 ? 3.990 34.039 -41.183 1.00 35.62 ? 411 SER A CA 1 ATOM 2542 C C . SER A 1 344 ? 4.606 33.798 -42.562 1.00 36.04 ? 411 SER A C 1 ATOM 2543 O O . SER A 1 344 ? 3.998 33.210 -43.434 1.00 33.22 ? 411 SER A O 1 ATOM 2544 C CB . SER A 1 344 ? 4.299 32.867 -40.238 1.00 35.69 ? 411 SER A CB 1 ATOM 2545 O OG . SER A 1 344 ? 3.759 33.121 -38.949 1.00 39.26 ? 411 SER A OG 1 ATOM 2546 N N . VAL A 1 345 ? 5.857 34.197 -42.708 1.00 40.31 ? 412 VAL A N 1 ATOM 2547 C CA . VAL A 1 345 ? 6.581 34.085 -43.963 1.00 40.01 ? 412 VAL A CA 1 ATOM 2548 C C . VAL A 1 345 ? 7.991 33.522 -43.708 1.00 41.52 ? 412 VAL A C 1 ATOM 2549 O O . VAL A 1 345 ? 8.747 34.024 -42.882 1.00 42.26 ? 412 VAL A O 1 ATOM 2550 C CB . VAL A 1 345 ? 6.676 35.469 -44.613 1.00 43.20 ? 412 VAL A CB 1 ATOM 2551 C CG1 . VAL A 1 345 ? 7.502 35.458 -45.890 1.00 44.17 ? 412 VAL A CG1 1 ATOM 2552 C CG2 . VAL A 1 345 ? 5.299 35.972 -44.979 1.00 49.64 ? 412 VAL A CG2 1 ATOM 2553 N N . GLU A 1 346 ? 8.371 32.513 -44.478 1.00 45.94 ? 413 GLU A N 1 ATOM 2554 C CA . GLU A 1 346 ? 9.681 31.909 -44.367 1.00 46.99 ? 413 GLU A CA 1 ATOM 2555 C C . GLU A 1 346 ? 10.683 32.649 -45.225 1.00 46.23 ? 413 GLU A C 1 ATOM 2556 O O . GLU A 1 346 ? 10.596 32.639 -46.434 1.00 50.86 ? 413 GLU A O 1 ATOM 2557 C CB . GLU A 1 346 ? 9.648 30.465 -44.780 1.00 48.15 ? 413 GLU A CB 1 ATOM 2558 C CG . GLU A 1 346 ? 10.934 29.699 -44.439 1.00 59.59 ? 413 GLU A CG 1 ATOM 2559 C CD . GLU A 1 346 ? 10.778 28.170 -44.361 1.00 67.07 ? 413 GLU A CD 1 ATOM 2560 O OE1 . GLU A 1 346 ? 9.654 27.622 -44.552 1.00 77.93 ? 413 GLU A OE1 1 ATOM 2561 O OE2 . GLU A 1 346 ? 11.800 27.502 -44.090 1.00 81.15 ? 413 GLU A OE2 1 ATOM 2562 N N . GLY A 1 347 ? 11.690 33.233 -44.594 1.00 49.16 ? 414 GLY A N 1 ATOM 2563 C CA . GLY A 1 347 ? 12.831 33.764 -45.341 1.00 48.63 ? 414 GLY A CA 1 ATOM 2564 C C . GLY A 1 347 ? 13.945 32.746 -45.465 1.00 49.00 ? 414 GLY A C 1 ATOM 2565 O O . GLY A 1 347 ? 13.769 31.619 -45.081 1.00 46.22 ? 414 GLY A O 1 ATOM 2566 N N . LYS A 1 348 ? 15.128 33.162 -45.936 1.00 58.12 ? 415 LYS A N 1 ATOM 2567 C CA . LYS A 1 348 ? 16.273 32.218 -46.081 1.00 61.90 ? 415 LYS A CA 1 ATOM 2568 C C . LYS A 1 348 ? 16.811 31.764 -44.702 1.00 59.31 ? 415 LYS A C 1 ATOM 2569 O O . LYS A 1 348 ? 17.143 30.610 -44.546 1.00 60.65 ? 415 LYS A O 1 ATOM 2570 C CB . LYS A 1 348 ? 17.402 32.717 -47.000 1.00 74.69 ? 415 LYS A CB 1 ATOM 2571 C CG . LYS A 1 348 ? 17.544 34.223 -47.008 1.00 94.55 ? 415 LYS A CG 1 ATOM 2572 C CD . LYS A 1 348 ? 18.377 34.730 -48.185 1.00 114.05 ? 415 LYS A CD 1 ATOM 2573 C CE . LYS A 1 348 ? 17.984 36.162 -48.550 1.00 123.19 ? 415 LYS A CE 1 ATOM 2574 N NZ . LYS A 1 348 ? 18.762 37.185 -47.794 1.00 124.63 ? 415 LYS A NZ 1 ATOM 2575 N N A SER A 1 349 ? 16.854 32.658 -43.715 0.63 54.77 ? 416 SER A N 1 ATOM 2576 N N B SER A 1 349 ? 16.857 32.667 -43.720 0.37 57.00 ? 416 SER A N 1 ATOM 2577 C CA A SER A 1 349 ? 17.419 32.321 -42.393 0.63 53.39 ? 416 SER A CA 1 ATOM 2578 C CA B SER A 1 349 ? 17.433 32.352 -42.399 0.37 56.13 ? 416 SER A CA 1 ATOM 2579 C C A SER A 1 349 ? 16.457 32.433 -41.197 0.63 52.07 ? 416 SER A C 1 ATOM 2580 C C B SER A 1 349 ? 16.459 32.434 -41.202 0.37 53.89 ? 416 SER A C 1 ATOM 2581 O O A SER A 1 349 ? 16.770 31.955 -40.110 0.63 53.58 ? 416 SER A O 1 ATOM 2582 O O B SER A 1 349 ? 16.769 31.947 -40.113 0.37 54.79 ? 416 SER A O 1 ATOM 2583 C CB A SER A 1 349 ? 18.644 33.192 -42.110 0.63 52.72 ? 416 SER A CB 1 ATOM 2584 C CB B SER A 1 349 ? 18.630 33.286 -42.115 0.37 56.60 ? 416 SER A CB 1 ATOM 2585 O OG A SER A 1 349 ? 18.346 34.551 -42.311 0.63 50.45 ? 416 SER A OG 1 ATOM 2586 O OG B SER A 1 349 ? 19.622 33.227 -43.123 0.37 57.95 ? 416 SER A OG 1 ATOM 2587 N N . CYS A 1 350 ? 15.289 33.034 -41.388 1.00 52.20 ? 417 CYS A N 1 ATOM 2588 C CA . CYS A 1 350 ? 14.335 33.172 -40.285 1.00 49.17 ? 417 CYS A CA 1 ATOM 2589 C C . CYS A 1 350 ? 12.896 33.295 -40.753 1.00 45.85 ? 417 CYS A C 1 ATOM 2590 O O . CYS A 1 350 ? 12.620 33.520 -41.928 1.00 44.70 ? 417 CYS A O 1 ATOM 2591 C CB . CYS A 1 350 ? 14.734 34.357 -39.381 1.00 54.13 ? 417 CYS A CB 1 ATOM 2592 S SG . CYS A 1 350 ? 14.718 35.971 -40.200 1.00 67.23 ? 417 CYS A SG 1 ATOM 2593 N N . ILE A 1 351 ? 12.005 33.163 -39.784 1.00 41.95 ? 418 ILE A N 1 ATOM 2594 C CA . ILE A 1 351 ? 10.597 33.238 -39.972 1.00 41.11 ? 418 ILE A CA 1 ATOM 2595 C C . ILE A 1 351 ? 10.110 34.588 -39.561 1.00 41.87 ? 418 ILE A C 1 ATOM 2596 O O . ILE A 1 351 ? 10.204 34.958 -38.352 1.00 39.65 ? 418 ILE A O 1 ATOM 2597 C CB . ILE A 1 351 ? 9.836 32.216 -39.086 1.00 44.27 ? 418 ILE A CB 1 ATOM 2598 C CG1 . ILE A 1 351 ? 10.347 30.783 -39.292 1.00 45.59 ? 418 ILE A CG1 1 ATOM 2599 C CG2 . ILE A 1 351 ? 8.304 32.248 -39.375 1.00 43.06 ? 418 ILE A CG2 1 ATOM 2600 C CD1 . ILE A 1 351 ? 10.386 30.348 -40.747 1.00 49.86 ? 418 ILE A CD1 1 ATOM 2601 N N . ASN A 1 352 ? 9.489 35.290 -40.518 1.00 35.27 ? 419 ASN A N 1 ATOM 2602 C CA . ASN A 1 352 ? 8.905 36.598 -40.211 1.00 36.83 ? 419 ASN A CA 1 ATOM 2603 C C . ASN A 1 352 ? 7.420 36.503 -39.833 1.00 35.06 ? 419 ASN A C 1 ATOM 2604 O O . ASN A 1 352 ? 6.734 35.600 -40.216 1.00 36.74 ? 419 ASN A O 1 ATOM 2605 C CB . ASN A 1 352 ? 9.171 37.545 -41.381 1.00 35.84 ? 419 ASN A CB 1 ATOM 2606 C CG . ASN A 1 352 ? 9.050 39.026 -41.032 1.00 40.54 ? 419 ASN A CG 1 ATOM 2607 O OD1 . ASN A 1 352 ? 9.113 39.440 -39.870 1.00 37.99 ? 419 ASN A OD1 1 ATOM 2608 N ND2 . ASN A 1 352 ? 8.830 39.837 -42.059 1.00 38.42 ? 419 ASN A ND2 1 ATOM 2609 N N . ARG A 1 353 ? 6.959 37.477 -39.083 1.00 35.71 ? 420 ARG A N 1 ATOM 2610 C CA . ARG A 1 353 ? 5.567 37.626 -38.710 1.00 37.93 ? 420 ARG A CA 1 ATOM 2611 C C . ARG A 1 353 ? 4.999 38.890 -39.344 1.00 39.90 ? 420 ARG A C 1 ATOM 2612 O O . ARG A 1 353 ? 5.621 39.937 -39.307 1.00 38.69 ? 420 ARG A O 1 ATOM 2613 C CB . ARG A 1 353 ? 5.424 37.787 -37.176 1.00 38.63 ? 420 ARG A CB 1 ATOM 2614 C CG . ARG A 1 353 ? 6.096 36.737 -36.336 1.00 37.65 ? 420 ARG A CG 1 ATOM 2615 C CD . ARG A 1 353 ? 5.626 35.318 -36.644 1.00 38.88 ? 420 ARG A CD 1 ATOM 2616 N NE . ARG A 1 353 ? 6.313 34.384 -35.745 1.00 34.14 ? 420 ARG A NE 1 ATOM 2617 C CZ . ARG A 1 353 ? 6.354 33.074 -35.885 1.00 34.52 ? 420 ARG A CZ 1 ATOM 2618 N NH1 . ARG A 1 353 ? 5.716 32.464 -36.872 1.00 36.28 ? 420 ARG A NH1 1 ATOM 2619 N NH2 . ARG A 1 353 ? 7.041 32.357 -35.007 1.00 32.72 ? 420 ARG A NH2 1 ATOM 2620 N N . CYS A 1 354 ? 3.778 38.789 -39.853 1.00 39.46 ? 421 CYS A N 1 ATOM 2621 C CA . CYS A 1 354 ? 3.087 39.879 -40.512 1.00 35.27 ? 421 CYS A CA 1 ATOM 2622 C C . CYS A 1 354 ? 1.649 39.918 -39.979 1.00 35.93 ? 421 CYS A C 1 ATOM 2623 O O . CYS A 1 354 ? 1.166 38.939 -39.400 1.00 34.43 ? 421 CYS A O 1 ATOM 2624 C CB . CYS A 1 354 ? 3.069 39.628 -42.031 1.00 38.57 ? 421 CYS A CB 1 ATOM 2625 S SG . CYS A 1 354 ? 4.663 39.483 -42.884 1.00 44.76 ? 421 CYS A SG 1 ATOM 2626 N N . PHE A 1 355 ? 0.934 41.007 -40.259 1.00 33.40 ? 422 PHE A N 1 ATOM 2627 C CA . PHE A 1 355 ? -0.471 41.079 -39.931 1.00 36.99 ? 422 PHE A CA 1 ATOM 2628 C C . PHE A 1 355 ? -1.271 41.910 -40.940 1.00 36.70 ? 422 PHE A C 1 ATOM 2629 O O . PHE A 1 355 ? -0.719 42.679 -41.701 1.00 32.35 ? 422 PHE A O 1 ATOM 2630 C CB . PHE A 1 355 ? -0.682 41.624 -38.488 1.00 39.07 ? 422 PHE A CB 1 ATOM 2631 C CG . PHE A 1 355 ? -0.295 43.028 -38.328 1.00 33.36 ? 422 PHE A CG 1 ATOM 2632 C CD1 . PHE A 1 355 ? 1.006 43.364 -38.097 1.00 39.77 ? 422 PHE A CD1 1 ATOM 2633 C CD2 . PHE A 1 355 ? -1.218 44.022 -38.438 1.00 36.71 ? 422 PHE A CD2 1 ATOM 2634 C CE1 . PHE A 1 355 ? 1.399 44.707 -37.953 1.00 40.18 ? 422 PHE A CE1 1 ATOM 2635 C CE2 . PHE A 1 355 ? -0.852 45.365 -38.308 1.00 37.88 ? 422 PHE A CE2 1 ATOM 2636 C CZ . PHE A 1 355 ? 0.477 45.702 -38.088 1.00 37.44 ? 422 PHE A CZ 1 ATOM 2637 N N . TYR A 1 356 ? -2.572 41.707 -40.890 1.00 35.76 ? 423 TYR A N 1 ATOM 2638 C CA . TYR A 1 356 ? -3.524 42.417 -41.708 1.00 38.08 ? 423 TYR A CA 1 ATOM 2639 C C . TYR A 1 356 ? -4.535 43.074 -40.748 1.00 36.83 ? 423 TYR A C 1 ATOM 2640 O O . TYR A 1 356 ? -4.755 42.580 -39.652 1.00 33.25 ? 423 TYR A O 1 ATOM 2641 C CB . TYR A 1 356 ? -4.268 41.484 -42.724 1.00 33.36 ? 423 TYR A CB 1 ATOM 2642 C CG . TYR A 1 356 ? -5.144 40.475 -42.021 1.00 34.03 ? 423 TYR A CG 1 ATOM 2643 C CD1 . TYR A 1 356 ? -4.644 39.228 -41.645 1.00 33.22 ? 423 TYR A CD1 1 ATOM 2644 C CD2 . TYR A 1 356 ? -6.430 40.795 -41.662 1.00 35.40 ? 423 TYR A CD2 1 ATOM 2645 C CE1 . TYR A 1 356 ? -5.419 38.311 -40.981 1.00 33.03 ? 423 TYR A CE1 1 ATOM 2646 C CE2 . TYR A 1 356 ? -7.214 39.896 -40.954 1.00 34.08 ? 423 TYR A CE2 1 ATOM 2647 C CZ . TYR A 1 356 ? -6.699 38.680 -40.595 1.00 35.23 ? 423 TYR A CZ 1 ATOM 2648 O OH . TYR A 1 356 ? -7.497 37.821 -39.901 1.00 37.89 ? 423 TYR A OH 1 ATOM 2649 N N . VAL A 1 357 ? -5.122 44.189 -41.196 1.00 37.85 ? 424 VAL A N 1 ATOM 2650 C CA . VAL A 1 357 ? -6.221 44.845 -40.520 1.00 37.33 ? 424 VAL A CA 1 ATOM 2651 C C . VAL A 1 357 ? -7.364 45.010 -41.490 1.00 38.52 ? 424 VAL A C 1 ATOM 2652 O O . VAL A 1 357 ? -7.206 45.567 -42.570 1.00 35.10 ? 424 VAL A O 1 ATOM 2653 C CB . VAL A 1 357 ? -5.815 46.245 -40.008 1.00 40.78 ? 424 VAL A CB 1 ATOM 2654 C CG1 . VAL A 1 357 ? -6.908 46.782 -39.118 1.00 43.21 ? 424 VAL A CG1 1 ATOM 2655 C CG2 . VAL A 1 357 ? -4.509 46.204 -39.214 1.00 38.77 ? 424 VAL A CG2 1 ATOM 2656 N N . GLU A 1 358 ? -8.529 44.565 -41.056 1.00 37.73 ? 425 GLU A N 1 ATOM 2657 C CA . GLU A 1 358 ? -9.795 44.744 -41.736 1.00 35.91 ? 425 GLU A CA 1 ATOM 2658 C C . GLU A 1 358 ? -10.292 46.136 -41.426 1.00 39.42 ? 425 GLU A C 1 ATOM 2659 O O . GLU A 1 358 ? -10.336 46.516 -40.279 1.00 43.28 ? 425 GLU A O 1 ATOM 2660 C CB . GLU A 1 358 ? -10.811 43.713 -41.197 1.00 36.62 ? 425 GLU A CB 1 ATOM 2661 C CG . GLU A 1 358 ? -12.153 43.719 -41.917 1.00 37.38 ? 425 GLU A CG 1 ATOM 2662 C CD . GLU A 1 358 ? -13.247 42.898 -41.184 1.00 42.74 ? 425 GLU A CD 1 ATOM 2663 O OE1 . GLU A 1 358 ? -13.184 42.744 -39.939 1.00 39.09 ? 425 GLU A OE1 1 ATOM 2664 O OE2 . GLU A 1 358 ? -14.181 42.398 -41.862 1.00 38.73 ? 425 GLU A OE2 1 ATOM 2665 N N . LEU A 1 359 ? -10.643 46.899 -42.460 1.00 41.20 ? 426 LEU A N 1 ATOM 2666 C CA . LEU A 1 359 ? -11.149 48.272 -42.337 1.00 34.39 ? 426 LEU A CA 1 ATOM 2667 C C . LEU A 1 359 ? -12.592 48.233 -42.760 1.00 39.81 ? 426 LEU A C 1 ATOM 2668 O O . LEU A 1 359 ? -12.917 48.267 -43.960 1.00 37.16 ? 426 LEU A O 1 ATOM 2669 C CB . LEU A 1 359 ? -10.347 49.193 -43.258 1.00 38.39 ? 426 LEU A CB 1 ATOM 2670 C CG . LEU A 1 359 ? -8.821 49.011 -43.112 1.00 37.89 ? 426 LEU A CG 1 ATOM 2671 C CD1 . LEU A 1 359 ? -8.025 49.763 -44.148 1.00 38.44 ? 426 LEU A CD1 1 ATOM 2672 C CD2 . LEU A 1 359 ? -8.327 49.379 -41.716 1.00 38.52 ? 426 LEU A CD2 1 ATOM 2673 N N . ILE A 1 360 ? -13.481 48.117 -41.765 1.00 39.86 ? 427 ILE A N 1 ATOM 2674 C CA . ILE A 1 360 ? -14.886 47.923 -41.999 1.00 36.63 ? 427 ILE A CA 1 ATOM 2675 C C . ILE A 1 360 ? -15.555 49.266 -42.322 1.00 37.09 ? 427 ILE A C 1 ATOM 2676 O O . ILE A 1 360 ? -15.372 50.228 -41.591 1.00 39.90 ? 427 ILE A O 1 ATOM 2677 C CB . ILE A 1 360 ? -15.593 47.331 -40.751 1.00 39.59 ? 427 ILE A CB 1 ATOM 2678 C CG1 . ILE A 1 360 ? -14.989 45.990 -40.425 1.00 41.45 ? 427 ILE A CG1 1 ATOM 2679 C CG2 . ILE A 1 360 ? -17.084 47.138 -41.004 1.00 39.54 ? 427 ILE A CG2 1 ATOM 2680 C CD1 . ILE A 1 360 ? -15.501 45.382 -39.136 1.00 37.41 ? 427 ILE A CD1 1 ATOM 2681 N N . ARG A 1 361 ? -16.335 49.314 -43.410 1.00 35.63 ? 428 ARG A N 1 ATOM 2682 C CA . ARG A 1 361 ? -17.153 50.477 -43.732 1.00 35.81 ? 428 ARG A CA 1 ATOM 2683 C C . ARG A 1 361 ? -18.645 50.105 -43.835 1.00 36.37 ? 428 ARG A C 1 ATOM 2684 O O . ARG A 1 361 ? -19.003 48.965 -44.177 1.00 36.80 ? 428 ARG A O 1 ATOM 2685 C CB . ARG A 1 361 ? -16.660 51.116 -45.042 1.00 40.36 ? 428 ARG A CB 1 ATOM 2686 C CG . ARG A 1 361 ? -15.161 51.495 -45.118 1.00 38.99 ? 428 ARG A CG 1 ATOM 2687 C CD . ARG A 1 361 ? -14.763 52.486 -44.039 1.00 38.93 ? 428 ARG A CD 1 ATOM 2688 N NE . ARG A 1 361 ? -15.569 53.707 -44.102 1.00 38.58 ? 428 ARG A NE 1 ATOM 2689 C CZ . ARG A 1 361 ? -15.214 54.843 -44.706 1.00 40.11 ? 428 ARG A CZ 1 ATOM 2690 N NH1 . ARG A 1 361 ? -14.044 54.999 -45.377 1.00 41.41 ? 428 ARG A NH1 1 ATOM 2691 N NH2 . ARG A 1 361 ? -16.045 55.870 -44.651 1.00 45.93 ? 428 ARG A NH2 1 ATOM 2692 N N . GLY A 1 362 ? -19.509 51.092 -43.638 1.00 38.72 ? 429 GLY A N 1 ATOM 2693 C CA . GLY A 1 362 ? -20.955 50.877 -43.728 1.00 39.74 ? 429 GLY A CA 1 ATOM 2694 C C . GLY A 1 362 ? -21.564 50.551 -42.385 1.00 37.15 ? 429 GLY A C 1 ATOM 2695 O O . GLY A 1 362 ? -21.079 51.014 -41.349 1.00 43.61 ? 429 GLY A O 1 ATOM 2696 N N . ARG A 1 363 ? -22.570 49.709 -42.379 1.00 41.62 ? 430 ARG A N 1 ATOM 2697 C CA . ARG A 1 363 ? -23.338 49.417 -41.160 1.00 46.25 ? 430 ARG A CA 1 ATOM 2698 C C . ARG A 1 363 ? -22.516 48.542 -40.214 1.00 46.33 ? 430 ARG A C 1 ATOM 2699 O O . ARG A 1 363 ? -21.738 47.712 -40.692 1.00 46.31 ? 430 ARG A O 1 ATOM 2700 C CB . ARG A 1 363 ? -24.640 48.683 -41.478 1.00 52.92 ? 430 ARG A CB 1 ATOM 2701 C CG . ARG A 1 363 ? -25.632 49.387 -42.386 1.00 52.82 ? 430 ARG A CG 1 ATOM 2702 C CD . ARG A 1 363 ? -26.250 50.487 -41.615 1.00 60.73 ? 430 ARG A CD 1 ATOM 2703 N NE . ARG A 1 363 ? -27.146 51.307 -42.392 1.00 65.50 ? 430 ARG A NE 1 ATOM 2704 C CZ . ARG A 1 363 ? -28.441 51.421 -42.163 1.00 66.18 ? 430 ARG A CZ 1 ATOM 2705 N NH1 . ARG A 1 363 ? -29.010 50.719 -41.213 1.00 69.85 ? 430 ARG A NH1 1 ATOM 2706 N NH2 . ARG A 1 363 ? -29.169 52.224 -42.909 1.00 69.19 ? 430 ARG A NH2 1 ATOM 2707 N N . PRO A 1 364 ? -22.683 48.713 -38.881 1.00 43.38 ? 431 PRO A N 1 ATOM 2708 C CA . PRO A 1 364 ? -23.685 49.555 -38.207 1.00 48.96 ? 431 PRO A CA 1 ATOM 2709 C C . PRO A 1 364 ? -23.248 50.989 -37.989 1.00 49.40 ? 431 PRO A C 1 ATOM 2710 O O . PRO A 1 364 ? -24.065 51.842 -37.683 1.00 56.76 ? 431 PRO A O 1 ATOM 2711 C CB . PRO A 1 364 ? -23.904 48.826 -36.848 1.00 41.72 ? 431 PRO A CB 1 ATOM 2712 C CG . PRO A 1 364 ? -22.548 48.278 -36.568 1.00 49.42 ? 431 PRO A CG 1 ATOM 2713 C CD . PRO A 1 364 ? -21.932 47.891 -37.900 1.00 45.08 ? 431 PRO A CD 1 ATOM 2714 N N . GLN A 1 365 ? -21.973 51.280 -38.130 1.00 54.19 ? 432 GLN A N 1 ATOM 2715 C CA . GLN A 1 365 ? -21.488 52.603 -37.736 1.00 48.30 ? 432 GLN A CA 1 ATOM 2716 C C . GLN A 1 365 ? -21.866 53.714 -38.683 1.00 47.85 ? 432 GLN A C 1 ATOM 2717 O O . GLN A 1 365 ? -21.936 54.837 -38.278 1.00 46.50 ? 432 GLN A O 1 ATOM 2718 C CB . GLN A 1 365 ? -19.954 52.575 -37.602 1.00 51.82 ? 432 GLN A CB 1 ATOM 2719 C CG . GLN A 1 365 ? -19.404 51.720 -36.445 1.00 55.96 ? 432 GLN A CG 1 ATOM 2720 C CD . GLN A 1 365 ? -19.905 52.105 -35.018 1.00 54.51 ? 432 GLN A CD 1 ATOM 2721 O OE1 . GLN A 1 365 ? -19.909 51.282 -34.123 1.00 56.14 ? 432 GLN A OE1 1 ATOM 2722 N NE2 . GLN A 1 365 ? -20.262 53.353 -34.818 1.00 54.32 ? 432 GLN A NE2 1 ATOM 2723 N N . GLU A 1 366 ? -22.009 53.420 -39.964 1.00 48.13 ? 433 GLU A N 1 ATOM 2724 C CA . GLU A 1 366 ? -22.228 54.432 -40.996 1.00 47.06 ? 433 GLU A CA 1 ATOM 2725 C C . GLU A 1 366 ? -23.563 54.137 -41.690 1.00 52.21 ? 433 GLU A C 1 ATOM 2726 O O . GLU A 1 366 ? -23.668 53.245 -42.532 1.00 57.90 ? 433 GLU A O 1 ATOM 2727 C CB . GLU A 1 366 ? -21.067 54.445 -42.008 1.00 45.28 ? 433 GLU A CB 1 ATOM 2728 C CG . GLU A 1 366 ? -19.735 54.830 -41.371 1.00 49.28 ? 433 GLU A CG 1 ATOM 2729 C CD . GLU A 1 366 ? -18.521 54.731 -42.327 1.00 45.83 ? 433 GLU A CD 1 ATOM 2730 O OE1 . GLU A 1 366 ? -17.951 55.782 -42.651 1.00 46.28 ? 433 GLU A OE1 1 ATOM 2731 O OE2 . GLU A 1 366 ? -18.119 53.617 -42.744 1.00 47.22 ? 433 GLU A OE2 1 ATOM 2732 N N . THR A 1 367 ? -24.578 54.905 -41.340 1.00 53.14 ? 434 THR A N 1 ATOM 2733 C CA . THR A 1 367 ? -25.942 54.612 -41.727 1.00 52.80 ? 434 THR A CA 1 ATOM 2734 C C . THR A 1 367 ? -26.434 55.342 -42.963 1.00 49.92 ? 434 THR A C 1 ATOM 2735 O O . THR A 1 367 ? -27.545 55.107 -43.390 1.00 56.26 ? 434 THR A O 1 ATOM 2736 C CB . THR A 1 367 ? -26.913 54.909 -40.562 1.00 61.10 ? 434 THR A CB 1 ATOM 2737 O OG1 . THR A 1 367 ? -26.776 56.272 -40.156 1.00 52.21 ? 434 THR A OG1 1 ATOM 2738 C CG2 . THR A 1 367 ? -26.617 54.003 -39.369 1.00 60.23 ? 434 THR A CG2 1 ATOM 2739 N N . ARG A 1 368 ? -25.632 56.188 -43.584 1.00 46.97 ? 435 ARG A N 1 ATOM 2740 C CA . ARG A 1 368 ? -26.027 56.701 -44.890 1.00 46.76 ? 435 ARG A CA 1 ATOM 2741 C C . ARG A 1 368 ? -26.183 55.564 -45.942 1.00 51.32 ? 435 ARG A C 1 ATOM 2742 O O . ARG A 1 368 ? -26.997 55.663 -46.864 1.00 51.90 ? 435 ARG A O 1 ATOM 2743 C CB . ARG A 1 368 ? -25.032 57.732 -45.403 1.00 53.38 ? 435 ARG A CB 1 ATOM 2744 C CG . ARG A 1 368 ? -25.234 58.028 -46.898 1.00 59.82 ? 435 ARG A CG 1 ATOM 2745 C CD . ARG A 1 368 ? -24.347 59.118 -47.487 1.00 59.23 ? 435 ARG A CD 1 ATOM 2746 N NE . ARG A 1 368 ? -24.838 59.395 -48.833 1.00 60.80 ? 435 ARG A NE 1 ATOM 2747 C CZ . ARG A 1 368 ? -24.468 58.769 -49.952 1.00 64.76 ? 435 ARG A CZ 1 ATOM 2748 N NH1 . ARG A 1 368 ? -23.513 57.820 -49.984 1.00 58.49 ? 435 ARG A NH1 1 ATOM 2749 N NH2 . ARG A 1 368 ? -25.037 59.142 -51.090 1.00 60.85 ? 435 ARG A NH2 1 ATOM 2750 N N . VAL A 1 369 ? -25.422 54.477 -45.802 1.00 45.59 ? 436 VAL A N 1 ATOM 2751 C CA . VAL A 1 369 ? -25.542 53.325 -46.716 1.00 42.97 ? 436 VAL A CA 1 ATOM 2752 C C . VAL A 1 369 ? -26.213 52.139 -46.043 1.00 42.34 ? 436 VAL A C 1 ATOM 2753 O O . VAL A 1 369 ? -26.364 52.140 -44.847 1.00 47.75 ? 436 VAL A O 1 ATOM 2754 C CB . VAL A 1 369 ? -24.180 52.868 -47.252 1.00 43.40 ? 436 VAL A CB 1 ATOM 2755 C CG1 . VAL A 1 369 ? -23.492 54.028 -47.975 1.00 43.36 ? 436 VAL A CG1 1 ATOM 2756 C CG2 . VAL A 1 369 ? -23.304 52.303 -46.131 1.00 40.95 ? 436 VAL A CG2 1 ATOM 2757 N N . TRP A 1 370 ? -26.626 51.160 -46.839 1.00 44.31 ? 437 TRP A N 1 ATOM 2758 C CA . TRP A 1 370 ? -27.347 49.973 -46.375 1.00 46.62 ? 437 TRP A CA 1 ATOM 2759 C C . TRP A 1 370 ? -26.492 48.719 -46.408 1.00 39.88 ? 437 TRP A C 1 ATOM 2760 O O . TRP A 1 370 ? -26.926 47.657 -45.929 1.00 38.05 ? 437 TRP A O 1 ATOM 2761 C CB . TRP A 1 370 ? -28.619 49.715 -47.222 1.00 46.82 ? 437 TRP A CB 1 ATOM 2762 C CG . TRP A 1 370 ? -29.628 50.765 -46.995 1.00 54.30 ? 437 TRP A CG 1 ATOM 2763 C CD1 . TRP A 1 370 ? -29.736 51.929 -47.678 1.00 60.86 ? 437 TRP A CD1 1 ATOM 2764 C CD2 . TRP A 1 370 ? -30.627 50.794 -45.979 1.00 53.98 ? 437 TRP A CD2 1 ATOM 2765 N NE1 . TRP A 1 370 ? -30.764 52.673 -47.185 1.00 59.99 ? 437 TRP A NE1 1 ATOM 2766 C CE2 . TRP A 1 370 ? -31.323 52.014 -46.125 1.00 62.38 ? 437 TRP A CE2 1 ATOM 2767 C CE3 . TRP A 1 370 ? -31.023 49.899 -44.969 1.00 57.49 ? 437 TRP A CE3 1 ATOM 2768 C CZ2 . TRP A 1 370 ? -32.394 52.381 -45.294 1.00 59.99 ? 437 TRP A CZ2 1 ATOM 2769 C CZ3 . TRP A 1 370 ? -32.093 50.248 -44.147 1.00 61.62 ? 437 TRP A CZ3 1 ATOM 2770 C CH2 . TRP A 1 370 ? -32.765 51.483 -44.314 1.00 64.10 ? 437 TRP A CH2 1 ATOM 2771 N N . TRP A 1 371 ? -25.285 48.846 -46.923 1.00 35.56 ? 438 TRP A N 1 ATOM 2772 C CA . TRP A 1 371 ? -24.355 47.706 -46.975 1.00 37.84 ? 438 TRP A CA 1 ATOM 2773 C C . TRP A 1 371 ? -23.301 47.750 -45.829 1.00 37.89 ? 438 TRP A C 1 ATOM 2774 O O . TRP A 1 371 ? -23.166 48.736 -45.108 1.00 40.39 ? 438 TRP A O 1 ATOM 2775 C CB . TRP A 1 371 ? -23.663 47.632 -48.368 1.00 37.33 ? 438 TRP A CB 1 ATOM 2776 C CG . TRP A 1 371 ? -23.145 48.897 -48.858 1.00 39.93 ? 438 TRP A CG 1 ATOM 2777 C CD1 . TRP A 1 371 ? -23.744 49.737 -49.759 1.00 38.55 ? 438 TRP A CD1 1 ATOM 2778 C CD2 . TRP A 1 371 ? -21.922 49.531 -48.465 1.00 38.75 ? 438 TRP A CD2 1 ATOM 2779 N NE1 . TRP A 1 371 ? -22.969 50.852 -49.936 1.00 38.83 ? 438 TRP A NE1 1 ATOM 2780 C CE2 . TRP A 1 371 ? -21.847 50.748 -49.156 1.00 36.44 ? 438 TRP A CE2 1 ATOM 2781 C CE3 . TRP A 1 371 ? -20.861 49.163 -47.637 1.00 38.25 ? 438 TRP A CE3 1 ATOM 2782 C CZ2 . TRP A 1 371 ? -20.796 51.627 -48.993 1.00 39.45 ? 438 TRP A CZ2 1 ATOM 2783 C CZ3 . TRP A 1 371 ? -19.800 50.052 -47.474 1.00 38.57 ? 438 TRP A CZ3 1 ATOM 2784 C CH2 . TRP A 1 371 ? -19.776 51.259 -48.143 1.00 38.84 ? 438 TRP A CH2 1 ATOM 2785 N N . THR A 1 372 ? -22.562 46.664 -45.692 1.00 39.31 ? 439 THR A N 1 ATOM 2786 C CA . THR A 1 372 ? -21.387 46.561 -44.842 1.00 37.70 ? 439 THR A CA 1 ATOM 2787 C C . THR A 1 372 ? -20.315 45.887 -45.682 1.00 34.71 ? 439 THR A C 1 ATOM 2788 O O . THR A 1 372 ? -20.551 44.875 -46.295 1.00 39.11 ? 439 THR A O 1 ATOM 2789 C CB . THR A 1 372 ? -21.671 45.692 -43.592 1.00 39.26 ? 439 THR A CB 1 ATOM 2790 O OG1 . THR A 1 372 ? -22.688 46.290 -42.779 1.00 41.20 ? 439 THR A OG1 1 ATOM 2791 C CG2 . THR A 1 372 ? -20.423 45.532 -42.751 1.00 36.54 ? 439 THR A CG2 1 ATOM 2792 N N . SER A 1 373 ? -19.117 46.422 -45.688 1.00 35.29 ? 440 SER A N 1 ATOM 2793 C CA . SER A 1 373 ? -18.007 45.811 -46.452 1.00 37.89 ? 440 SER A CA 1 ATOM 2794 C C . SER A 1 373 ? -16.691 46.214 -45.820 1.00 36.44 ? 440 SER A C 1 ATOM 2795 O O . SER A 1 373 ? -16.680 46.870 -44.763 1.00 44.63 ? 440 SER A O 1 ATOM 2796 C CB . SER A 1 373 ? -18.066 46.174 -47.947 1.00 34.81 ? 440 SER A CB 1 ATOM 2797 O OG . SER A 1 373 ? -17.230 45.330 -48.751 1.00 38.32 ? 440 SER A OG 1 ATOM 2798 N N . ASN A 1 374 ? -15.588 45.800 -46.402 1.00 36.31 ? 441 ASN A N 1 ATOM 2799 C CA . ASN A 1 374 ? -14.278 46.207 -45.837 1.00 38.30 ? 441 ASN A CA 1 ATOM 2800 C C . ASN A 1 374 ? -13.201 46.343 -46.902 1.00 36.12 ? 441 ASN A C 1 ATOM 2801 O O . ASN A 1 374 ? -13.354 45.789 -47.968 1.00 30.61 ? 441 ASN A O 1 ATOM 2802 C CB . ASN A 1 374 ? -13.808 45.174 -44.854 1.00 36.18 ? 441 ASN A CB 1 ATOM 2803 C CG . ASN A 1 374 ? -13.336 43.901 -45.556 1.00 39.38 ? 441 ASN A CG 1 ATOM 2804 O OD1 . ASN A 1 374 ? -14.139 43.024 -45.945 1.00 42.93 ? 441 ASN A OD1 1 ATOM 2805 N ND2 . ASN A 1 374 ? -12.061 43.812 -45.756 1.00 38.54 ? 441 ASN A ND2 1 ATOM 2806 N N . SER A 1 375 ? -12.114 47.041 -46.583 1.00 33.69 ? 442 SER A N 1 ATOM 2807 C CA . SER A 1 375 ? -10.862 46.878 -47.309 1.00 36.66 ? 442 SER A CA 1 ATOM 2808 C C . SER A 1 375 ? -9.823 46.347 -46.332 1.00 37.81 ? 442 SER A C 1 ATOM 2809 O O . SER A 1 375 ? -10.146 46.033 -45.206 1.00 39.92 ? 442 SER A O 1 ATOM 2810 C CB . SER A 1 375 ? -10.405 48.182 -47.992 1.00 40.18 ? 442 SER A CB 1 ATOM 2811 O OG . SER A 1 375 ? -9.942 49.117 -47.057 1.00 40.87 ? 442 SER A OG 1 ATOM 2812 N N . ILE A 1 376 ? -8.596 46.175 -46.791 1.00 38.28 ? 443 ILE A N 1 ATOM 2813 C CA . ILE A 1 376 ? -7.511 45.775 -45.917 1.00 40.96 ? 443 ILE A CA 1 ATOM 2814 C C . ILE A 1 376 ? -6.233 46.586 -46.097 1.00 35.35 ? 443 ILE A C 1 ATOM 2815 O O . ILE A 1 376 ? -5.967 47.150 -47.149 1.00 34.31 ? 443 ILE A O 1 ATOM 2816 C CB . ILE A 1 376 ? -7.104 44.277 -46.074 1.00 45.22 ? 443 ILE A CB 1 ATOM 2817 C CG1 . ILE A 1 376 ? -6.683 43.990 -47.490 1.00 50.92 ? 443 ILE A CG1 1 ATOM 2818 C CG2 . ILE A 1 376 ? -8.247 43.362 -45.797 1.00 53.09 ? 443 ILE A CG2 1 ATOM 2819 C CD1 . ILE A 1 376 ? -6.133 42.601 -47.628 1.00 56.30 ? 443 ILE A CD1 1 ATOM 2820 N N . VAL A 1 377 ? -5.416 46.522 -45.051 1.00 32.85 ? 444 VAL A N 1 ATOM 2821 C CA . VAL A 1 377 ? -4.073 47.025 -45.083 1.00 34.96 ? 444 VAL A CA 1 ATOM 2822 C C . VAL A 1 377 ? -3.213 45.981 -44.363 1.00 36.29 ? 444 VAL A C 1 ATOM 2823 O O . VAL A 1 377 ? -3.676 45.307 -43.449 1.00 33.20 ? 444 VAL A O 1 ATOM 2824 C CB . VAL A 1 377 ? -4.003 48.409 -44.427 1.00 38.48 ? 444 VAL A CB 1 ATOM 2825 C CG1 . VAL A 1 377 ? -4.321 48.359 -42.920 1.00 36.00 ? 444 VAL A CG1 1 ATOM 2826 C CG2 . VAL A 1 377 ? -2.646 49.004 -44.620 1.00 41.29 ? 444 VAL A CG2 1 ATOM 2827 N N . VAL A 1 378 ? -1.984 45.821 -44.833 1.00 35.88 ? 445 VAL A N 1 ATOM 2828 C CA . VAL A 1 378 ? -1.131 44.731 -44.437 1.00 36.48 ? 445 VAL A CA 1 ATOM 2829 C C . VAL A 1 378 ? 0.287 45.206 -44.220 1.00 37.29 ? 445 VAL A C 1 ATOM 2830 O O . VAL A 1 378 ? 0.785 46.058 -44.987 1.00 34.45 ? 445 VAL A O 1 ATOM 2831 C CB . VAL A 1 378 ? -1.061 43.677 -45.548 1.00 37.12 ? 445 VAL A CB 1 ATOM 2832 C CG1 . VAL A 1 378 ? -0.345 42.442 -45.047 1.00 36.46 ? 445 VAL A CG1 1 ATOM 2833 C CG2 . VAL A 1 378 ? -2.434 43.280 -46.045 1.00 38.13 ? 445 VAL A CG2 1 ATOM 2834 N N . PHE A 1 379 ? 0.895 44.700 -43.144 1.00 36.07 ? 446 PHE A N 1 ATOM 2835 C CA . PHE A 1 379 ? 2.234 45.138 -42.671 1.00 37.24 ? 446 PHE A CA 1 ATOM 2836 C C . PHE A 1 379 ? 3.013 43.914 -42.331 1.00 37.94 ? 446 PHE A C 1 ATOM 2837 O O . PHE A 1 379 ? 2.456 42.898 -41.926 1.00 39.57 ? 446 PHE A O 1 ATOM 2838 C CB . PHE A 1 379 ? 2.152 45.984 -41.390 1.00 38.23 ? 446 PHE A CB 1 ATOM 2839 C CG . PHE A 1 379 ? 1.998 47.447 -41.646 1.00 39.87 ? 446 PHE A CG 1 ATOM 2840 C CD1 . PHE A 1 379 ? 0.823 47.938 -42.244 1.00 40.98 ? 446 PHE A CD1 1 ATOM 2841 C CD2 . PHE A 1 379 ? 3.009 48.343 -41.300 1.00 42.84 ? 446 PHE A CD2 1 ATOM 2842 C CE1 . PHE A 1 379 ? 0.688 49.260 -42.561 1.00 40.45 ? 446 PHE A CE1 1 ATOM 2843 C CE2 . PHE A 1 379 ? 2.872 49.687 -41.591 1.00 46.04 ? 446 PHE A CE2 1 ATOM 2844 C CZ . PHE A 1 379 ? 1.711 50.133 -42.242 1.00 48.83 ? 446 PHE A CZ 1 ATOM 2845 N N . CYS A 1 380 ? 4.307 44.015 -42.474 1.00 37.02 ? 447 CYS A N 1 ATOM 2846 C CA . CYS A 1 380 ? 5.173 42.894 -42.201 1.00 38.46 ? 447 CYS A CA 1 ATOM 2847 C C . CYS A 1 380 ? 6.332 43.325 -41.290 1.00 35.90 ? 447 CYS A C 1 ATOM 2848 O O . CYS A 1 380 ? 6.797 44.458 -41.310 1.00 34.65 ? 447 CYS A O 1 ATOM 2849 C CB . CYS A 1 380 ? 5.732 42.364 -43.504 1.00 43.73 ? 447 CYS A CB 1 ATOM 2850 S SG . CYS A 1 380 ? 4.697 41.165 -44.328 1.00 50.61 ? 447 CYS A SG 1 ATOM 2851 N N . GLY A 1 381 ? 6.794 42.390 -40.501 1.00 34.56 ? 448 GLY A N 1 ATOM 2852 C CA . GLY A 1 381 ? 7.932 42.625 -39.632 1.00 38.10 ? 448 GLY A CA 1 ATOM 2853 C C . GLY A 1 381 ? 9.157 43.042 -40.413 1.00 39.10 ? 448 GLY A C 1 ATOM 2854 O O . GLY A 1 381 ? 9.421 42.538 -41.527 1.00 32.39 ? 448 GLY A O 1 ATOM 2855 N N . THR A 1 382 ? 9.912 43.948 -39.797 1.00 37.40 ? 449 THR A N 1 ATOM 2856 C CA . THR A 1 382 ? 11.164 44.353 -40.330 1.00 38.97 ? 449 THR A CA 1 ATOM 2857 C C . THR A 1 382 ? 12.214 44.372 -39.193 1.00 40.88 ? 449 THR A C 1 ATOM 2858 O O . THR A 1 382 ? 11.918 44.676 -38.039 1.00 42.38 ? 449 THR A O 1 ATOM 2859 C CB . THR A 1 382 ? 11.035 45.756 -40.980 1.00 39.10 ? 449 THR A CB 1 ATOM 2860 O OG1 . THR A 1 382 ? 12.297 46.161 -41.565 1.00 38.70 ? 449 THR A OG1 1 ATOM 2861 C CG2 . THR A 1 382 ? 10.618 46.785 -39.954 1.00 39.46 ? 449 THR A CG2 1 ATOM 2862 N N . SER A 1 383 ? 13.450 44.121 -39.570 1.00 37.34 ? 450 SER A N 1 ATOM 2863 C CA . SER A 1 383 ? 14.552 44.353 -38.686 1.00 44.16 ? 450 SER A CA 1 ATOM 2864 C C . SER A 1 383 ? 15.325 45.585 -39.082 1.00 46.52 ? 450 SER A C 1 ATOM 2865 O O . SER A 1 383 ? 16.364 45.862 -38.511 1.00 50.11 ? 450 SER A O 1 ATOM 2866 C CB . SER A 1 383 ? 15.448 43.139 -38.596 1.00 44.98 ? 450 SER A CB 1 ATOM 2867 O OG . SER A 1 383 ? 16.117 42.975 -39.776 1.00 52.56 ? 450 SER A OG 1 ATOM 2868 N N . GLY A 1 384 ? 14.789 46.377 -40.005 1.00 44.48 ? 451 GLY A N 1 ATOM 2869 C CA . GLY A 1 384 ? 15.388 47.680 -40.348 1.00 45.21 ? 451 GLY A CA 1 ATOM 2870 C C . GLY A 1 384 ? 14.795 48.874 -39.586 1.00 46.94 ? 451 GLY A C 1 ATOM 2871 O O . GLY A 1 384 ? 14.374 48.731 -38.454 1.00 45.30 ? 451 GLY A O 1 ATOM 2872 N N . THR A 1 385 ? 14.803 50.051 -40.207 1.00 43.67 ? 452 THR A N 1 ATOM 2873 C CA . THR A 1 385 ? 14.141 51.206 -39.642 1.00 42.18 ? 452 THR A CA 1 ATOM 2874 C C . THR A 1 385 ? 12.903 51.572 -40.457 1.00 40.78 ? 452 THR A C 1 ATOM 2875 O O . THR A 1 385 ? 12.691 51.063 -41.565 1.00 43.24 ? 452 THR A O 1 ATOM 2876 C CB . THR A 1 385 ? 15.106 52.394 -39.541 1.00 40.36 ? 452 THR A CB 1 ATOM 2877 O OG1 . THR A 1 385 ? 15.583 52.715 -40.837 1.00 39.83 ? 452 THR A OG1 1 ATOM 2878 C CG2 . THR A 1 385 ? 16.303 52.019 -38.665 1.00 43.88 ? 452 THR A CG2 1 ATOM 2879 N N . TYR A 1 386 ? 12.118 52.491 -39.913 1.00 40.48 ? 453 TYR A N 1 ATOM 2880 C CA . TYR A 1 386 ? 10.853 52.899 -40.523 1.00 39.71 ? 453 TYR A CA 1 ATOM 2881 C C . TYR A 1 386 ? 10.391 54.220 -39.911 1.00 41.22 ? 453 TYR A C 1 ATOM 2882 O O . TYR A 1 386 ? 10.955 54.665 -38.930 1.00 40.73 ? 453 TYR A O 1 ATOM 2883 C CB . TYR A 1 386 ? 9.819 51.823 -40.288 1.00 36.48 ? 453 TYR A CB 1 ATOM 2884 C CG . TYR A 1 386 ? 9.721 51.393 -38.846 1.00 37.70 ? 453 TYR A CG 1 ATOM 2885 C CD1 . TYR A 1 386 ? 8.929 52.088 -37.938 1.00 42.96 ? 453 TYR A CD1 1 ATOM 2886 C CD2 . TYR A 1 386 ? 10.433 50.292 -38.362 1.00 36.80 ? 453 TYR A CD2 1 ATOM 2887 C CE1 . TYR A 1 386 ? 8.825 51.686 -36.581 1.00 43.42 ? 453 TYR A CE1 1 ATOM 2888 C CE2 . TYR A 1 386 ? 10.326 49.875 -37.030 1.00 36.16 ? 453 TYR A CE2 1 ATOM 2889 C CZ . TYR A 1 386 ? 9.539 50.575 -36.131 1.00 37.76 ? 453 TYR A CZ 1 ATOM 2890 O OH . TYR A 1 386 ? 9.456 50.220 -34.793 1.00 40.89 ? 453 TYR A OH 1 ATOM 2891 N N . GLY A 1 387 ? 9.345 54.795 -40.492 1.00 39.32 ? 454 GLY A N 1 ATOM 2892 C CA . GLY A 1 387 ? 8.821 56.069 -40.092 1.00 38.32 ? 454 GLY A CA 1 ATOM 2893 C C . GLY A 1 387 ? 7.449 55.934 -39.461 1.00 37.29 ? 454 GLY A C 1 ATOM 2894 O O . GLY A 1 387 ? 7.204 55.027 -38.696 1.00 35.41 ? 454 GLY A O 1 ATOM 2895 N N . THR A 1 388 ? 6.582 56.893 -39.755 1.00 34.66 ? 455 THR A N 1 ATOM 2896 C CA . THR A 1 388 ? 5.204 56.934 -39.268 1.00 39.21 ? 455 THR A CA 1 ATOM 2897 C C . THR A 1 388 ? 4.222 57.233 -40.371 1.00 36.77 ? 455 THR A C 1 ATOM 2898 O O . THR A 1 388 ? 4.552 57.814 -41.420 1.00 34.82 ? 455 THR A O 1 ATOM 2899 C CB . THR A 1 388 ? 4.973 58.076 -38.205 1.00 40.99 ? 455 THR A CB 1 ATOM 2900 O OG1 . THR A 1 388 ? 5.544 59.319 -38.662 1.00 41.27 ? 455 THR A OG1 1 ATOM 2901 C CG2 . THR A 1 388 ? 5.616 57.696 -36.870 1.00 40.96 ? 455 THR A CG2 1 ATOM 2902 N N . GLY A 1 389 ? 2.973 56.929 -40.079 1.00 38.76 ? 456 GLY A N 1 ATOM 2903 C CA . GLY A 1 389 ? 1.890 57.280 -40.980 1.00 36.55 ? 456 GLY A CA 1 ATOM 2904 C C . GLY A 1 389 ? 0.567 56.771 -40.491 1.00 36.18 ? 456 GLY A C 1 ATOM 2905 O O . GLY A 1 389 ? 0.420 56.339 -39.334 1.00 38.40 ? 456 GLY A O 1 ATOM 2906 N N . SER A 1 390 ? -0.427 56.878 -41.361 1.00 37.26 ? 457 SER A N 1 ATOM 2907 C CA . SER A 1 390 ? -1.731 56.288 -41.103 1.00 40.43 ? 457 SER A CA 1 ATOM 2908 C C . SER A 1 390 ? -2.286 55.851 -42.445 1.00 38.88 ? 457 SER A C 1 ATOM 2909 O O . SER A 1 390 ? -2.288 56.615 -43.387 1.00 40.69 ? 457 SER A O 1 ATOM 2910 C CB . SER A 1 390 ? -2.670 57.289 -40.409 1.00 39.13 ? 457 SER A CB 1 ATOM 2911 O OG . SER A 1 390 ? -3.984 56.776 -40.333 1.00 39.31 ? 457 SER A OG 1 ATOM 2912 N N . TRP A 1 391 ? -2.779 54.627 -42.503 1.00 39.64 ? 458 TRP A N 1 ATOM 2913 C CA . TRP A 1 391 ? -3.272 54.018 -43.778 1.00 38.55 ? 458 TRP A CA 1 ATOM 2914 C C . TRP A 1 391 ? -4.694 53.479 -43.680 1.00 30.75 ? 458 TRP A C 1 ATOM 2915 O O . TRP A 1 391 ? -4.885 52.302 -43.607 1.00 31.64 ? 458 TRP A O 1 ATOM 2916 C CB . TRP A 1 391 ? -2.322 52.921 -44.190 1.00 35.28 ? 458 TRP A CB 1 ATOM 2917 C CG . TRP A 1 391 ? -0.952 53.424 -44.478 1.00 34.55 ? 458 TRP A CG 1 ATOM 2918 C CD1 . TRP A 1 391 ? -0.452 53.760 -45.701 1.00 34.90 ? 458 TRP A CD1 1 ATOM 2919 C CD2 . TRP A 1 391 ? 0.120 53.585 -43.540 1.00 31.17 ? 458 TRP A CD2 1 ATOM 2920 N NE1 . TRP A 1 391 ? 0.859 54.083 -45.586 1.00 33.20 ? 458 TRP A NE1 1 ATOM 2921 C CE2 . TRP A 1 391 ? 1.234 53.984 -44.266 1.00 32.58 ? 458 TRP A CE2 1 ATOM 2922 C CE3 . TRP A 1 391 ? 0.249 53.381 -42.173 1.00 29.57 ? 458 TRP A CE3 1 ATOM 2923 C CZ2 . TRP A 1 391 ? 2.467 54.248 -43.658 1.00 32.59 ? 458 TRP A CZ2 1 ATOM 2924 C CZ3 . TRP A 1 391 ? 1.475 53.627 -41.567 1.00 32.63 ? 458 TRP A CZ3 1 ATOM 2925 C CH2 . TRP A 1 391 ? 2.557 54.045 -42.304 1.00 33.56 ? 458 TRP A CH2 1 ATOM 2926 N N . PRO A 1 392 ? -5.685 54.365 -43.544 1.00 34.46 ? 459 PRO A N 1 ATOM 2927 C CA . PRO A 1 392 ? -7.067 53.914 -43.329 1.00 34.34 ? 459 PRO A CA 1 ATOM 2928 C C . PRO A 1 392 ? -7.661 53.531 -44.697 1.00 37.54 ? 459 PRO A C 1 ATOM 2929 O O . PRO A 1 392 ? -6.996 53.643 -45.734 1.00 35.65 ? 459 PRO A O 1 ATOM 2930 C CB . PRO A 1 392 ? -7.763 55.158 -42.778 1.00 32.59 ? 459 PRO A CB 1 ATOM 2931 C CG . PRO A 1 392 ? -7.066 56.306 -43.462 1.00 34.02 ? 459 PRO A CG 1 ATOM 2932 C CD . PRO A 1 392 ? -5.607 55.842 -43.613 1.00 36.72 ? 459 PRO A CD 1 ATOM 2933 N N . ASP A 1 393 ? -8.924 53.187 -44.686 1.00 40.91 ? 460 ASP A N 1 ATOM 2934 C CA . ASP A 1 393 ? -9.626 52.746 -45.897 1.00 43.11 ? 460 ASP A CA 1 ATOM 2935 C C . ASP A 1 393 ? -9.635 53.817 -47.011 1.00 41.23 ? 460 ASP A C 1 ATOM 2936 O O . ASP A 1 393 ? -9.392 53.526 -48.162 1.00 42.00 ? 460 ASP A O 1 ATOM 2937 C CB . ASP A 1 393 ? -11.049 52.386 -45.492 1.00 47.97 ? 460 ASP A CB 1 ATOM 2938 C CG . ASP A 1 393 ? -11.950 52.180 -46.692 1.00 58.74 ? 460 ASP A CG 1 ATOM 2939 O OD1 . ASP A 1 393 ? -11.838 51.113 -47.346 1.00 53.07 ? 460 ASP A OD1 1 ATOM 2940 O OD2 . ASP A 1 393 ? -12.743 53.103 -46.999 1.00 62.79 ? 460 ASP A OD2 1 ATOM 2941 N N . GLY A 1 394 ? -9.986 55.045 -46.633 1.00 38.79 ? 461 GLY A N 1 ATOM 2942 C CA . GLY A 1 394 ? -9.903 56.219 -47.480 1.00 36.97 ? 461 GLY A CA 1 ATOM 2943 C C . GLY A 1 394 ? -11.113 56.556 -48.296 1.00 38.58 ? 461 GLY A C 1 ATOM 2944 O O . GLY A 1 394 ? -11.068 57.469 -49.072 1.00 39.23 ? 461 GLY A O 1 ATOM 2945 N N . ALA A 1 395 ? -12.172 55.783 -48.190 1.00 42.28 ? 462 ALA A N 1 ATOM 2946 C CA . ALA A 1 395 ? -13.370 56.098 -48.944 1.00 43.16 ? 462 ALA A CA 1 ATOM 2947 C C . ALA A 1 395 ? -14.161 57.175 -48.252 1.00 41.81 ? 462 ALA A C 1 ATOM 2948 O O . ALA A 1 395 ? -14.206 57.248 -47.046 1.00 48.55 ? 462 ALA A O 1 ATOM 2949 C CB . ALA A 1 395 ? -14.244 54.885 -49.147 1.00 43.30 ? 462 ALA A CB 1 ATOM 2950 N N . ASN A 1 396 ? -14.750 58.035 -49.059 1.00 42.19 ? 463 ASN A N 1 ATOM 2951 C CA . ASN A 1 396 ? -15.681 59.009 -48.611 1.00 42.67 ? 463 ASN A CA 1 ATOM 2952 C C . ASN A 1 396 ? -17.093 58.440 -48.704 1.00 41.03 ? 463 ASN A C 1 ATOM 2953 O O . ASN A 1 396 ? -17.603 58.180 -49.805 1.00 37.12 ? 463 ASN A O 1 ATOM 2954 C CB . ASN A 1 396 ? -15.547 60.246 -49.469 1.00 41.83 ? 463 ASN A CB 1 ATOM 2955 C CG . ASN A 1 396 ? -16.456 61.378 -49.012 1.00 45.64 ? 463 ASN A CG 1 ATOM 2956 O OD1 . ASN A 1 396 ? -17.516 61.189 -48.434 1.00 52.28 ? 463 ASN A OD1 1 ATOM 2957 N ND2 . ASN A 1 396 ? -16.047 62.561 -49.312 1.00 50.02 ? 463 ASN A ND2 1 ATOM 2958 N N . ILE A 1 397 ? -17.739 58.312 -47.549 1.00 37.98 ? 464 ILE A N 1 ATOM 2959 C CA . ILE A 1 397 ? -19.014 57.619 -47.468 1.00 39.27 ? 464 ILE A CA 1 ATOM 2960 C C . ILE A 1 397 ? -20.061 58.324 -48.339 1.00 38.14 ? 464 ILE A C 1 ATOM 2961 O O . ILE A 1 397 ? -20.937 57.676 -48.844 1.00 37.65 ? 464 ILE A O 1 ATOM 2962 C CB . ILE A 1 397 ? -19.482 57.441 -45.991 1.00 41.72 ? 464 ILE A CB 1 ATOM 2963 C CG1 . ILE A 1 397 ? -20.574 56.383 -45.886 1.00 42.89 ? 464 ILE A CG1 1 ATOM 2964 C CG2 . ILE A 1 397 ? -19.949 58.763 -45.379 1.00 44.10 ? 464 ILE A CG2 1 ATOM 2965 C CD1 . ILE A 1 397 ? -20.095 54.961 -46.181 1.00 42.31 ? 464 ILE A CD1 1 ATOM 2966 N N . ASN A 1 398 ? -19.919 59.632 -48.541 1.00 36.53 ? 465 ASN A N 1 ATOM 2967 C CA . ASN A 1 398 ? -20.831 60.401 -49.375 1.00 43.19 ? 465 ASN A CA 1 ATOM 2968 C C . ASN A 1 398 ? -20.723 60.167 -50.864 1.00 48.84 ? 465 ASN A C 1 ATOM 2969 O O . ASN A 1 398 ? -21.585 60.615 -51.593 1.00 46.11 ? 465 ASN A O 1 ATOM 2970 C CB . ASN A 1 398 ? -20.699 61.920 -49.131 1.00 46.27 ? 465 ASN A CB 1 ATOM 2971 C CG . ASN A 1 398 ? -21.014 62.322 -47.678 1.00 51.33 ? 465 ASN A CG 1 ATOM 2972 O OD1 . ASN A 1 398 ? -20.212 62.960 -47.038 1.00 63.86 ? 465 ASN A OD1 1 ATOM 2973 N ND2 . ASN A 1 398 ? -22.107 61.857 -47.144 1.00 48.60 ? 465 ASN A ND2 1 ATOM 2974 N N . PHE A 1 399 ? -19.643 59.527 -51.315 1.00 50.22 ? 466 PHE A N 1 ATOM 2975 C CA . PHE A 1 399 ? -19.418 59.282 -52.749 1.00 47.61 ? 466 PHE A CA 1 ATOM 2976 C C . PHE A 1 399 ? -19.938 57.897 -53.150 1.00 47.07 ? 466 PHE A C 1 ATOM 2977 O O . PHE A 1 399 ? -19.838 57.509 -54.295 1.00 51.44 ? 466 PHE A O 1 ATOM 2978 C CB . PHE A 1 399 ? -17.911 59.311 -53.061 1.00 46.89 ? 466 PHE A CB 1 ATOM 2979 C CG . PHE A 1 399 ? -17.254 60.688 -52.989 1.00 47.46 ? 466 PHE A CG 1 ATOM 2980 C CD1 . PHE A 1 399 ? -17.986 61.857 -52.891 1.00 49.38 ? 466 PHE A CD1 1 ATOM 2981 C CD2 . PHE A 1 399 ? -15.868 60.792 -53.149 1.00 46.31 ? 466 PHE A CD2 1 ATOM 2982 C CE1 . PHE A 1 399 ? -17.358 63.086 -52.866 1.00 48.36 ? 466 PHE A CE1 1 ATOM 2983 C CE2 . PHE A 1 399 ? -15.225 62.025 -53.117 1.00 44.46 ? 466 PHE A CE2 1 ATOM 2984 C CZ . PHE A 1 399 ? -15.978 63.178 -52.966 1.00 47.99 ? 466 PHE A CZ 1 ATOM 2985 N N . MET A 1 400 ? -20.450 57.142 -52.197 1.00 44.39 ? 467 MET A N 1 ATOM 2986 C CA . MET A 1 400 ? -20.754 55.737 -52.427 1.00 48.52 ? 467 MET A CA 1 ATOM 2987 C C . MET A 1 400 ? -22.185 55.512 -52.891 1.00 49.85 ? 467 MET A C 1 ATOM 2988 O O . MET A 1 400 ? -23.072 56.208 -52.445 1.00 52.21 ? 467 MET A O 1 ATOM 2989 C CB . MET A 1 400 ? -20.559 54.943 -51.111 1.00 46.24 ? 467 MET A CB 1 ATOM 2990 C CG . MET A 1 400 ? -19.178 55.068 -50.483 1.00 48.91 ? 467 MET A CG 1 ATOM 2991 S SD . MET A 1 400 ? -17.770 54.517 -51.498 1.00 45.19 ? 467 MET A SD 1 ATOM 2992 C CE . MET A 1 400 ? -18.226 52.847 -51.885 1.00 45.62 ? 467 MET A CE 1 ATOM 2993 N N . PRO A 1 401 ? -22.429 54.463 -53.698 1.00 55.60 ? 468 PRO A N 1 ATOM 2994 C CA . PRO A 1 401 ? -23.779 53.881 -53.895 1.00 53.74 ? 468 PRO A CA 1 ATOM 2995 C C . PRO A 1 401 ? -24.341 53.535 -52.559 1.00 49.40 ? 468 PRO A C 1 ATOM 2996 O O . PRO A 1 401 ? -23.587 53.154 -51.668 1.00 55.62 ? 468 PRO A O 1 ATOM 2997 C CB . PRO A 1 401 ? -23.494 52.592 -54.664 1.00 53.40 ? 468 PRO A CB 1 ATOM 2998 C CG . PRO A 1 401 ? -22.184 52.824 -55.342 1.00 58.71 ? 468 PRO A CG 1 ATOM 2999 C CD . PRO A 1 401 ? -21.396 53.731 -54.444 1.00 57.65 ? 468 PRO A CD 1 ATOM 3000 N N . ILE A 1 402 ? -25.635 53.525 -52.409 1.00 54.13 ? 469 ILE A N 1 ATOM 3001 C CA . ILE A 1 402 ? -26.206 53.713 -51.065 1.00 59.79 ? 469 ILE A CA 1 ATOM 3002 C C . ILE A 1 402 ? -26.472 52.475 -50.138 1.00 58.01 ? 469 ILE A C 1 ATOM 3003 O O . ILE A 1 402 ? -26.733 51.337 -50.524 1.00 57.03 ? 469 ILE A O 1 ATOM 3004 C CB . ILE A 1 402 ? -27.381 54.738 -51.187 1.00 65.29 ? 469 ILE A CB 1 ATOM 3005 C CG1 . ILE A 1 402 ? -27.519 55.579 -49.928 1.00 87.39 ? 469 ILE A CG1 1 ATOM 3006 C CG2 . ILE A 1 402 ? -28.684 54.083 -51.613 1.00 64.25 ? 469 ILE A CG2 1 ATOM 3007 C CD1 . ILE A 1 402 ? -28.536 56.706 -50.043 1.00 101.22 ? 469 ILE A CD1 1 ATOM 3008 N N . ALA B 1 15 ? 12.369 23.834 -78.058 1.00 73.67 ? 82 ALA B N 1 ATOM 3009 C CA . ALA B 1 15 ? 11.518 24.126 -79.250 1.00 78.53 ? 82 ALA B CA 1 ATOM 3010 C C . ALA B 1 15 ? 12.371 24.339 -80.494 1.00 74.37 ? 82 ALA B C 1 ATOM 3011 O O . ALA B 1 15 ? 13.446 24.946 -80.451 1.00 70.98 ? 82 ALA B O 1 ATOM 3012 C CB . ALA B 1 15 ? 10.591 25.323 -79.006 1.00 75.75 ? 82 ALA B CB 1 ATOM 3013 N N . GLU B 1 16 ? 11.853 23.816 -81.598 1.00 71.53 ? 83 GLU B N 1 ATOM 3014 C CA . GLU B 1 16 ? 12.492 23.868 -82.900 1.00 72.09 ? 83 GLU B CA 1 ATOM 3015 C C . GLU B 1 16 ? 11.627 24.770 -83.806 1.00 60.07 ? 83 GLU B C 1 ATOM 3016 O O . GLU B 1 16 ? 10.507 25.137 -83.457 1.00 55.99 ? 83 GLU B O 1 ATOM 3017 C CB . GLU B 1 16 ? 12.648 22.450 -83.473 1.00 82.27 ? 83 GLU B CB 1 ATOM 3018 C CG . GLU B 1 16 ? 11.683 21.431 -82.846 1.00 101.80 ? 83 GLU B CG 1 ATOM 3019 C CD . GLU B 1 16 ? 11.602 20.048 -83.525 1.00 120.60 ? 83 GLU B CD 1 ATOM 3020 O OE1 . GLU B 1 16 ? 11.558 19.981 -84.771 1.00 133.78 ? 83 GLU B OE1 1 ATOM 3021 O OE2 . GLU B 1 16 ? 11.526 19.006 -82.814 1.00 118.18 ? 83 GLU B OE2 1 ATOM 3022 N N . TYR B 1 17 ? 12.189 25.223 -84.907 1.00 48.69 ? 84 TYR B N 1 ATOM 3023 C CA . TYR B 1 17 ? 11.425 25.983 -85.877 1.00 49.29 ? 84 TYR B CA 1 ATOM 3024 C C . TYR B 1 17 ? 10.404 25.082 -86.541 1.00 44.87 ? 84 TYR B C 1 ATOM 3025 O O . TYR B 1 17 ? 10.632 23.904 -86.712 1.00 47.27 ? 84 TYR B O 1 ATOM 3026 C CB . TYR B 1 17 ? 12.321 26.593 -86.952 1.00 44.49 ? 84 TYR B CB 1 ATOM 3027 C CG . TYR B 1 17 ? 13.213 27.678 -86.468 1.00 46.09 ? 84 TYR B CG 1 ATOM 3028 C CD1 . TYR B 1 17 ? 12.689 28.812 -85.856 1.00 44.38 ? 84 TYR B CD1 1 ATOM 3029 C CD2 . TYR B 1 17 ? 14.610 27.588 -86.623 1.00 48.11 ? 84 TYR B CD2 1 ATOM 3030 C CE1 . TYR B 1 17 ? 13.521 29.829 -85.406 1.00 46.79 ? 84 TYR B CE1 1 ATOM 3031 C CE2 . TYR B 1 17 ? 15.454 28.612 -86.208 1.00 52.31 ? 84 TYR B CE2 1 ATOM 3032 C CZ . TYR B 1 17 ? 14.904 29.724 -85.587 1.00 52.14 ? 84 TYR B CZ 1 ATOM 3033 O OH . TYR B 1 17 ? 15.707 30.736 -85.153 1.00 58.69 ? 84 TYR B OH 1 ATOM 3034 N N . ARG B 1 18 ? 9.264 25.648 -86.857 1.00 43.60 ? 85 ARG B N 1 ATOM 3035 C CA . ARG B 1 18 ? 8.277 24.979 -87.725 1.00 47.91 ? 85 ARG B CA 1 ATOM 3036 C C . ARG B 1 18 ? 8.736 24.933 -89.195 1.00 42.98 ? 85 ARG B C 1 ATOM 3037 O O . ARG B 1 18 ? 9.232 25.949 -89.708 1.00 40.55 ? 85 ARG B O 1 ATOM 3038 C CB . ARG B 1 18 ? 7.048 25.821 -87.840 1.00 41.15 ? 85 ARG B CB 1 ATOM 3039 C CG . ARG B 1 18 ? 6.078 25.758 -86.756 1.00 47.03 ? 85 ARG B CG 1 ATOM 3040 C CD . ARG B 1 18 ? 5.099 26.919 -87.017 1.00 48.01 ? 85 ARG B CD 1 ATOM 3041 N NE . ARG B 1 18 ? 3.796 26.606 -86.501 1.00 43.73 ? 85 ARG B NE 1 ATOM 3042 C CZ . ARG B 1 18 ? 2.881 27.486 -86.173 1.00 49.36 ? 85 ARG B CZ 1 ATOM 3043 N NH1 . ARG B 1 18 ? 3.073 28.793 -86.326 1.00 55.53 ? 85 ARG B NH1 1 ATOM 3044 N NH2 . ARG B 1 18 ? 1.738 27.045 -85.702 1.00 49.29 ? 85 ARG B NH2 1 ATOM 3045 N N . ASN B 1 19 ? 8.437 23.823 -89.851 1.00 38.47 ? 86 ASN B N 1 ATOM 3046 C CA . ASN B 1 19 ? 8.697 23.617 -91.291 1.00 47.52 ? 86 ASN B CA 1 ATOM 3047 C C . ASN B 1 19 ? 7.483 23.385 -92.153 1.00 42.61 ? 86 ASN B C 1 ATOM 3048 O O . ASN B 1 19 ? 7.524 23.590 -93.374 1.00 46.01 ? 86 ASN B O 1 ATOM 3049 C CB . ASN B 1 19 ? 9.656 22.469 -91.486 1.00 51.46 ? 86 ASN B CB 1 ATOM 3050 C CG . ASN B 1 19 ? 10.948 22.704 -90.749 1.00 62.92 ? 86 ASN B CG 1 ATOM 3051 O OD1 . ASN B 1 19 ? 11.235 22.062 -89.753 1.00 79.77 ? 86 ASN B OD1 1 ATOM 3052 N ND2 . ASN B 1 19 ? 11.683 23.703 -91.164 1.00 75.74 ? 86 ASN B ND2 1 ATOM 3053 N N . TRP B 1 20 ? 6.371 23.019 -91.541 1.00 40.74 ? 87 TRP B N 1 ATOM 3054 C CA . TRP B 1 20 ? 5.137 22.747 -92.311 1.00 42.15 ? 87 TRP B CA 1 ATOM 3055 C C . TRP B 1 20 ? 5.353 21.704 -93.426 1.00 45.07 ? 87 TRP B C 1 ATOM 3056 O O . TRP B 1 20 ? 4.750 21.801 -94.505 1.00 45.76 ? 87 TRP B O 1 ATOM 3057 C CB . TRP B 1 20 ? 4.592 24.031 -92.940 1.00 39.30 ? 87 TRP B CB 1 ATOM 3058 C CG . TRP B 1 20 ? 4.374 25.231 -92.017 1.00 42.13 ? 87 TRP B CG 1 ATOM 3059 C CD1 . TRP B 1 20 ? 5.235 26.297 -91.826 1.00 38.94 ? 87 TRP B CD1 1 ATOM 3060 C CD2 . TRP B 1 20 ? 3.221 25.522 -91.248 1.00 37.49 ? 87 TRP B CD2 1 ATOM 3061 N NE1 . TRP B 1 20 ? 4.699 27.166 -90.957 1.00 40.36 ? 87 TRP B NE1 1 ATOM 3062 C CE2 . TRP B 1 20 ? 3.460 26.728 -90.577 1.00 38.27 ? 87 TRP B CE2 1 ATOM 3063 C CE3 . TRP B 1 20 ? 2.049 24.846 -90.999 1.00 40.32 ? 87 TRP B CE3 1 ATOM 3064 C CZ2 . TRP B 1 20 ? 2.540 27.299 -89.705 1.00 37.84 ? 87 TRP B CZ2 1 ATOM 3065 C CZ3 . TRP B 1 20 ? 1.122 25.418 -90.142 1.00 37.78 ? 87 TRP B CZ3 1 ATOM 3066 C CH2 . TRP B 1 20 ? 1.375 26.632 -89.509 1.00 37.76 ? 87 TRP B CH2 1 ATOM 3067 N N . SER B 1 21 ? 6.198 20.706 -93.151 1.00 42.89 ? 88 SER B N 1 ATOM 3068 C CA . SER B 1 21 ? 6.625 19.771 -94.172 1.00 46.89 ? 88 SER B CA 1 ATOM 3069 C C . SER B 1 21 ? 5.760 18.533 -94.167 1.00 49.40 ? 88 SER B C 1 ATOM 3070 O O . SER B 1 21 ? 6.208 17.472 -93.884 1.00 58.40 ? 88 SER B O 1 ATOM 3071 C CB . SER B 1 21 ? 8.091 19.421 -93.985 1.00 47.15 ? 88 SER B CB 1 ATOM 3072 O OG . SER B 1 21 ? 8.297 18.948 -92.687 1.00 47.15 ? 88 SER B OG 1 ATOM 3073 N N . LYS B 1 22 ? 4.479 18.721 -94.388 1.00 53.78 ? 89 LYS B N 1 ATOM 3074 C CA . LYS B 1 22 ? 3.516 17.643 -94.444 1.00 46.80 ? 89 LYS B CA 1 ATOM 3075 C C . LYS B 1 22 ? 2.603 17.967 -95.580 1.00 45.41 ? 89 LYS B C 1 ATOM 3076 O O . LYS B 1 22 ? 2.415 19.123 -95.877 1.00 46.29 ? 89 LYS B O 1 ATOM 3077 C CB . LYS B 1 22 ? 2.702 17.563 -93.169 1.00 48.53 ? 89 LYS B CB 1 ATOM 3078 C CG . LYS B 1 22 ? 3.548 17.173 -92.013 1.00 50.72 ? 89 LYS B CG 1 ATOM 3079 C CD . LYS B 1 22 ? 2.793 17.149 -90.711 1.00 48.98 ? 89 LYS B CD 1 ATOM 3080 C CE . LYS B 1 22 ? 3.754 16.702 -89.628 1.00 54.81 ? 89 LYS B CE 1 ATOM 3081 N NZ . LYS B 1 22 ? 3.173 16.930 -88.289 1.00 59.36 ? 89 LYS B NZ 1 ATOM 3082 N N . PRO B 1 23 ? 2.017 16.949 -96.206 1.00 48.39 ? 90 PRO B N 1 ATOM 3083 C CA . PRO B 1 23 ? 0.991 17.281 -97.192 1.00 46.70 ? 90 PRO B CA 1 ATOM 3084 C C . PRO B 1 23 ? -0.234 17.973 -96.612 1.00 41.81 ? 90 PRO B C 1 ATOM 3085 O O . PRO B 1 23 ? -0.493 17.942 -95.409 1.00 47.69 ? 90 PRO B O 1 ATOM 3086 C CB . PRO B 1 23 ? 0.582 15.916 -97.749 1.00 49.20 ? 90 PRO B CB 1 ATOM 3087 C CG . PRO B 1 23 ? 0.862 14.946 -96.632 1.00 53.50 ? 90 PRO B CG 1 ATOM 3088 C CD . PRO B 1 23 ? 1.954 15.536 -95.773 1.00 48.42 ? 90 PRO B CD 1 ATOM 3089 N N . GLN B 1 24 ? -0.946 18.658 -97.497 1.00 42.14 ? 91 GLN B N 1 ATOM 3090 C CA . GLN B 1 24 ? -2.158 19.338 -97.176 1.00 40.50 ? 91 GLN B CA 1 ATOM 3091 C C . GLN B 1 24 ? -3.219 18.292 -96.889 1.00 41.87 ? 91 GLN B C 1 ATOM 3092 O O . GLN B 1 24 ? -3.371 17.381 -97.662 1.00 40.15 ? 91 GLN B O 1 ATOM 3093 C CB . GLN B 1 24 ? -2.552 20.238 -98.366 1.00 42.43 ? 91 GLN B CB 1 ATOM 3094 C CG . GLN B 1 24 ? -3.883 21.007 -98.258 1.00 39.28 ? 91 GLN B CG 1 ATOM 3095 C CD . GLN B 1 24 ? -3.980 22.091 -99.326 1.00 40.09 ? 91 GLN B CD 1 ATOM 3096 O OE1 . GLN B 1 24 ? -3.362 23.160 -99.220 1.00 39.86 ? 91 GLN B OE1 1 ATOM 3097 N NE2 . GLN B 1 24 ? -4.707 21.798 -100.401 1.00 47.89 ? 91 GLN B NE2 1 ATOM 3098 N N . CYS B 1 25 ? -3.994 18.474 -95.831 1.00 43.72 ? 92 CYS B N 1 ATOM 3099 C CA . CYS B 1 25 ? -5.144 17.604 -95.556 1.00 48.73 ? 92 CYS B CA 1 ATOM 3100 C C . CYS B 1 25 ? -6.114 17.621 -96.739 1.00 48.66 ? 92 CYS B C 1 ATOM 3101 O O . CYS B 1 25 ? -6.382 18.660 -97.279 1.00 44.39 ? 92 CYS B O 1 ATOM 3102 C CB . CYS B 1 25 ? -5.917 17.986 -94.242 1.00 49.85 ? 92 CYS B CB 1 ATOM 3103 S SG . CYS B 1 25 ? -4.845 18.096 -92.750 1.00 71.58 ? 92 CYS B SG 1 ATOM 3104 N N . GLN B 1 26 ? -6.646 16.461 -97.106 1.00 47.51 ? 93 GLN B N 1 ATOM 3105 C CA . GLN B 1 26 ? -7.665 16.357 -98.151 1.00 55.95 ? 93 GLN B CA 1 ATOM 3106 C C . GLN B 1 26 ? -8.967 16.644 -97.449 1.00 52.69 ? 93 GLN B C 1 ATOM 3107 O O . GLN B 1 26 ? -9.401 15.853 -96.659 1.00 72.92 ? 93 GLN B O 1 ATOM 3108 C CB . GLN B 1 26 ? -7.650 14.955 -98.840 1.00 54.47 ? 93 GLN B CB 1 ATOM 3109 C CG . GLN B 1 26 ? -6.355 14.633 -99.648 1.00 52.27 ? 93 GLN B CG 1 ATOM 3110 C CD . GLN B 1 26 ? -6.028 15.705 -100.701 1.00 59.40 ? 93 GLN B CD 1 ATOM 3111 O OE1 . GLN B 1 26 ? -6.726 15.850 -101.711 1.00 56.77 ? 93 GLN B OE1 1 ATOM 3112 N NE2 . GLN B 1 26 ? -5.048 16.558 -100.387 1.00 58.65 ? 93 GLN B NE2 1 ATOM 3113 N N . ILE B 1 27 ? -9.566 17.793 -97.732 1.00 46.25 ? 94 ILE B N 1 ATOM 3114 C CA . ILE B 1 27 ? -10.749 18.239 -97.038 1.00 47.55 ? 94 ILE B CA 1 ATOM 3115 C C . ILE B 1 27 ? -11.963 18.102 -97.939 1.00 45.56 ? 94 ILE B C 1 ATOM 3116 O O . ILE B 1 27 ? -11.854 18.107 -99.153 1.00 38.54 ? 94 ILE B O 1 ATOM 3117 C CB . ILE B 1 27 ? -10.675 19.720 -96.575 1.00 54.76 ? 94 ILE B CB 1 ATOM 3118 C CG1 . ILE B 1 27 ? -10.621 20.672 -97.750 1.00 48.94 ? 94 ILE B CG1 1 ATOM 3119 C CG2 . ILE B 1 27 ? -9.452 20.007 -95.684 1.00 55.32 ? 94 ILE B CG2 1 ATOM 3120 C CD1 . ILE B 1 27 ? -10.818 22.086 -97.304 1.00 60.17 ? 94 ILE B CD1 1 ATOM 3121 N N . THR B 1 28 ? -13.119 18.026 -97.305 1.00 39.76 ? 95 THR B N 1 ATOM 3122 C CA . THR B 1 28 ? -14.372 17.903 -97.984 1.00 37.37 ? 95 THR B CA 1 ATOM 3123 C C . THR B 1 28 ? -15.169 19.181 -97.856 1.00 40.28 ? 95 THR B C 1 ATOM 3124 O O . THR B 1 28 ? -16.282 19.295 -98.425 1.00 39.25 ? 95 THR B O 1 ATOM 3125 C CB . THR B 1 28 ? -15.184 16.761 -97.332 1.00 44.88 ? 95 THR B CB 1 ATOM 3126 O OG1 . THR B 1 28 ? -15.302 16.975 -95.903 1.00 46.26 ? 95 THR B OG1 1 ATOM 3127 C CG2 . THR B 1 28 ? -14.459 15.441 -97.556 1.00 39.99 ? 95 THR B CG2 1 ATOM 3128 N N . GLY B 1 29 ? -14.628 20.132 -97.082 1.00 36.13 ? 96 GLY B N 1 ATOM 3129 C CA . GLY B 1 29 ? -15.301 21.365 -96.733 1.00 34.79 ? 96 GLY B CA 1 ATOM 3130 C C . GLY B 1 29 ? -14.821 21.860 -95.388 1.00 42.16 ? 96 GLY B C 1 ATOM 3131 O O . GLY B 1 29 ? -13.715 21.525 -94.942 1.00 42.71 ? 96 GLY B O 1 ATOM 3132 N N . PHE B 1 30 ? -15.643 22.685 -94.748 1.00 39.24 ? 97 PHE B N 1 ATOM 3133 C CA . PHE B 1 30 ? -15.232 23.408 -93.535 1.00 40.75 ? 97 PHE B CA 1 ATOM 3134 C C . PHE B 1 30 ? -16.257 23.271 -92.435 1.00 40.44 ? 97 PHE B C 1 ATOM 3135 O O . PHE B 1 30 ? -17.435 23.217 -92.696 1.00 36.84 ? 97 PHE B O 1 ATOM 3136 C CB . PHE B 1 30 ? -15.021 24.893 -93.850 1.00 39.50 ? 97 PHE B CB 1 ATOM 3137 C CG . PHE B 1 30 ? -13.970 25.133 -94.901 1.00 37.94 ? 97 PHE B CG 1 ATOM 3138 C CD1 . PHE B 1 30 ? -12.655 25.181 -94.548 1.00 37.67 ? 97 PHE B CD1 1 ATOM 3139 C CD2 . PHE B 1 30 ? -14.309 25.196 -96.239 1.00 39.78 ? 97 PHE B CD2 1 ATOM 3140 C CE1 . PHE B 1 30 ? -11.690 25.367 -95.512 1.00 40.43 ? 97 PHE B CE1 1 ATOM 3141 C CE2 . PHE B 1 30 ? -13.361 25.369 -97.220 1.00 39.36 ? 97 PHE B CE2 1 ATOM 3142 C CZ . PHE B 1 30 ? -12.032 25.446 -96.854 1.00 40.82 ? 97 PHE B CZ 1 ATOM 3143 N N . ALA B 1 31 ? -15.766 23.193 -91.216 1.00 37.52 ? 98 ALA B N 1 ATOM 3144 C CA . ALA B 1 31 ? -16.593 23.057 -90.052 1.00 38.72 ? 98 ALA B CA 1 ATOM 3145 C C . ALA B 1 31 ? -16.416 24.259 -89.097 1.00 36.98 ? 98 ALA B C 1 ATOM 3146 O O . ALA B 1 31 ? -15.343 24.845 -89.004 1.00 33.95 ? 98 ALA B O 1 ATOM 3147 C CB . ALA B 1 31 ? -16.237 21.756 -89.321 1.00 40.68 ? 98 ALA B CB 1 ATOM 3148 N N . PRO B 1 32 ? -17.434 24.542 -88.276 1.00 35.94 ? 99 PRO B N 1 ATOM 3149 C CA . PRO B 1 32 ? -17.415 25.692 -87.381 1.00 37.78 ? 99 PRO B CA 1 ATOM 3150 C C . PRO B 1 32 ? -16.375 25.551 -86.316 1.00 35.37 ? 99 PRO B C 1 ATOM 3151 O O . PRO B 1 32 ? -16.209 24.446 -85.760 1.00 39.24 ? 99 PRO B O 1 ATOM 3152 C CB . PRO B 1 32 ? -18.804 25.665 -86.755 1.00 35.88 ? 99 PRO B CB 1 ATOM 3153 C CG . PRO B 1 32 ? -19.643 24.964 -87.768 1.00 39.07 ? 99 PRO B CG 1 ATOM 3154 C CD . PRO B 1 32 ? -18.722 23.868 -88.245 1.00 38.74 ? 99 PRO B CD 1 ATOM 3155 N N . PHE B 1 33 ? -15.675 26.641 -86.047 1.00 35.96 ? 100 PHE B N 1 ATOM 3156 C CA . PHE B 1 33 ? -14.533 26.617 -85.075 1.00 38.82 ? 100 PHE B CA 1 ATOM 3157 C C . PHE B 1 33 ? -14.639 27.649 -83.969 1.00 36.64 ? 100 PHE B C 1 ATOM 3158 O O . PHE B 1 33 ? -14.566 27.304 -82.847 1.00 40.42 ? 100 PHE B O 1 ATOM 3159 C CB . PHE B 1 33 ? -13.247 26.797 -85.850 1.00 41.23 ? 100 PHE B CB 1 ATOM 3160 C CG . PHE B 1 33 ? -11.994 26.584 -85.055 1.00 37.92 ? 100 PHE B CG 1 ATOM 3161 C CD1 . PHE B 1 33 ? -11.827 25.506 -84.266 1.00 38.83 ? 100 PHE B CD1 1 ATOM 3162 C CD2 . PHE B 1 33 ? -10.951 27.480 -85.169 1.00 37.35 ? 100 PHE B CD2 1 ATOM 3163 C CE1 . PHE B 1 33 ? -10.620 25.315 -83.554 1.00 41.44 ? 100 PHE B CE1 1 ATOM 3164 C CE2 . PHE B 1 33 ? -9.778 27.310 -84.465 1.00 39.06 ? 100 PHE B CE2 1 ATOM 3165 C CZ . PHE B 1 33 ? -9.602 26.208 -83.664 1.00 37.47 ? 100 PHE B CZ 1 ATOM 3166 N N . SER B 1 34 ? -14.935 28.898 -84.289 1.00 40.00 ? 101 SER B N 1 ATOM 3167 C CA . SER B 1 34 ? -14.998 29.926 -83.277 1.00 36.60 ? 101 SER B CA 1 ATOM 3168 C C . SER B 1 34 ? -15.804 31.124 -83.742 1.00 35.41 ? 101 SER B C 1 ATOM 3169 O O . SER B 1 34 ? -15.969 31.386 -84.916 1.00 38.21 ? 101 SER B O 1 ATOM 3170 C CB . SER B 1 34 ? -13.589 30.361 -82.904 1.00 39.78 ? 101 SER B CB 1 ATOM 3171 O OG . SER B 1 34 ? -13.586 31.142 -81.698 1.00 37.58 ? 101 SER B OG 1 ATOM 3172 N N . LYS B 1 35 ? -16.365 31.827 -82.773 1.00 38.12 ? 102 LYS B N 1 ATOM 3173 C CA . LYS B 1 35 ? -17.155 33.029 -83.020 1.00 37.01 ? 102 LYS B CA 1 ATOM 3174 C C . LYS B 1 35 ? -16.997 33.940 -81.806 1.00 37.51 ? 102 LYS B C 1 ATOM 3175 O O . LYS B 1 35 ? -17.073 33.453 -80.681 1.00 40.38 ? 102 LYS B O 1 ATOM 3176 C CB . LYS B 1 35 ? -18.617 32.657 -83.115 1.00 37.17 ? 102 LYS B CB 1 ATOM 3177 C CG . LYS B 1 35 ? -19.508 33.771 -83.626 1.00 38.81 ? 102 LYS B CG 1 ATOM 3178 C CD . LYS B 1 35 ? -20.948 33.308 -83.802 1.00 43.37 ? 102 LYS B CD 1 ATOM 3179 C CE . LYS B 1 35 ? -21.757 34.321 -84.620 1.00 47.20 ? 102 LYS B CE 1 ATOM 3180 N NZ . LYS B 1 35 ? -21.889 35.668 -83.953 1.00 53.77 ? 102 LYS B NZ 1 ATOM 3181 N N . ASP B 1 36 ? -16.821 35.242 -81.979 1.00 36.65 ? 103 ASP B N 1 ATOM 3182 C CA . ASP B 1 36 ? -16.588 36.043 -80.761 1.00 42.31 ? 103 ASP B CA 1 ATOM 3183 C C . ASP B 1 36 ? -17.702 36.943 -80.222 1.00 37.81 ? 103 ASP B C 1 ATOM 3184 O O . ASP B 1 36 ? -17.627 37.364 -79.067 1.00 39.47 ? 103 ASP B O 1 ATOM 3185 C CB . ASP B 1 36 ? -15.270 36.803 -80.855 1.00 49.19 ? 103 ASP B CB 1 ATOM 3186 C CG . ASP B 1 36 ? -15.352 37.973 -81.762 1.00 52.10 ? 103 ASP B CG 1 ATOM 3187 O OD1 . ASP B 1 36 ? -16.404 38.067 -82.456 1.00 58.71 ? 103 ASP B OD1 1 ATOM 3188 O OD2 . ASP B 1 36 ? -14.388 38.804 -81.731 1.00 58.67 ? 103 ASP B OD2 1 ATOM 3189 N N . ASN B 1 37 ? -18.739 37.178 -81.010 1.00 31.68 ? 104 ASN B N 1 ATOM 3190 C CA . ASN B 1 37 ? -19.870 37.926 -80.551 1.00 34.53 ? 104 ASN B CA 1 ATOM 3191 C C . ASN B 1 37 ? -19.597 39.340 -80.031 1.00 34.83 ? 104 ASN B C 1 ATOM 3192 O O . ASN B 1 37 ? -20.343 39.873 -79.189 1.00 37.07 ? 104 ASN B O 1 ATOM 3193 C CB . ASN B 1 37 ? -20.598 37.119 -79.479 1.00 34.94 ? 104 ASN B CB 1 ATOM 3194 C CG . ASN B 1 37 ? -21.263 35.883 -80.052 1.00 41.14 ? 104 ASN B CG 1 ATOM 3195 O OD1 . ASN B 1 37 ? -22.066 35.956 -81.010 1.00 46.24 ? 104 ASN B OD1 1 ATOM 3196 N ND2 . ASN B 1 37 ? -20.965 34.742 -79.471 1.00 40.88 ? 104 ASN B ND2 1 ATOM 3197 N N . SER B 1 38 ? -18.542 39.956 -80.521 1.00 37.63 ? 105 SER B N 1 ATOM 3198 C CA . SER B 1 38 ? -18.106 41.251 -79.976 1.00 44.61 ? 105 SER B CA 1 ATOM 3199 C C . SER B 1 38 ? -19.151 42.345 -79.934 1.00 40.88 ? 105 SER B C 1 ATOM 3200 O O . SER B 1 38 ? -19.124 43.134 -78.995 1.00 38.68 ? 105 SER B O 1 ATOM 3201 C CB . SER B 1 38 ? -16.957 41.840 -80.811 1.00 43.84 ? 105 SER B CB 1 ATOM 3202 O OG . SER B 1 38 ? -15.950 40.883 -80.926 1.00 60.90 ? 105 SER B OG 1 ATOM 3203 N N . ILE B 1 39 ? -19.932 42.484 -81.017 1.00 34.36 ? 106 ILE B N 1 ATOM 3204 C CA . ILE B 1 39 ? -20.826 43.604 -81.144 1.00 34.21 ? 106 ILE B CA 1 ATOM 3205 C C . ILE B 1 39 ? -22.007 43.393 -80.198 1.00 33.19 ? 106 ILE B C 1 ATOM 3206 O O . ILE B 1 39 ? -22.441 44.306 -79.504 1.00 33.76 ? 106 ILE B O 1 ATOM 3207 C CB . ILE B 1 39 ? -21.314 43.809 -82.625 1.00 36.08 ? 106 ILE B CB 1 ATOM 3208 C CG1 . ILE B 1 39 ? -20.136 43.986 -83.601 1.00 39.54 ? 106 ILE B CG1 1 ATOM 3209 C CG2 . ILE B 1 39 ? -22.131 45.083 -82.709 1.00 37.75 ? 106 ILE B CG2 1 ATOM 3210 C CD1 . ILE B 1 39 ? -19.079 45.034 -83.139 1.00 39.58 ? 106 ILE B CD1 1 ATOM 3211 N N . ARG B 1 40 ? -22.519 42.182 -80.178 1.00 35.67 ? 107 ARG B N 1 ATOM 3212 C CA . ARG B 1 40 ? -23.578 41.829 -79.236 1.00 37.89 ? 107 ARG B CA 1 ATOM 3213 C C . ARG B 1 40 ? -23.159 42.094 -77.788 1.00 39.44 ? 107 ARG B C 1 ATOM 3214 O O . ARG B 1 40 ? -23.889 42.750 -77.011 1.00 37.99 ? 107 ARG B O 1 ATOM 3215 C CB . ARG B 1 40 ? -23.979 40.369 -79.405 1.00 35.55 ? 107 ARG B CB 1 ATOM 3216 C CG . ARG B 1 40 ? -24.851 40.126 -80.639 1.00 38.80 ? 107 ARG B CG 1 ATOM 3217 C CD . ARG B 1 40 ? -25.030 38.658 -80.923 1.00 36.27 ? 107 ARG B CD 1 ATOM 3218 N NE . ARG B 1 40 ? -25.714 38.010 -79.786 1.00 36.73 ? 107 ARG B NE 1 ATOM 3219 C CZ . ARG B 1 40 ? -27.007 37.841 -79.686 1.00 37.89 ? 107 ARG B CZ 1 ATOM 3220 N NH1 . ARG B 1 40 ? -27.527 37.191 -78.646 1.00 37.78 ? 107 ARG B NH1 1 ATOM 3221 N NH2 . ARG B 1 40 ? -27.786 38.315 -80.636 1.00 39.64 ? 107 ARG B NH2 1 ATOM 3222 N N . LEU B 1 41 ? -21.962 41.626 -77.424 1.00 37.94 ? 108 LEU B N 1 ATOM 3223 C CA . LEU B 1 41 ? -21.385 41.997 -76.108 1.00 41.23 ? 108 LEU B CA 1 ATOM 3224 C C . LEU B 1 41 ? -21.021 43.326 -76.742 1.00 50.53 ? 108 LEU B C 1 ATOM 3225 O O . LEU B 1 41 ? -20.736 43.344 -77.961 1.00 71.86 ? 108 LEU B O 1 ATOM 3226 C CB . LEU B 1 41 ? -20.117 41.223 -75.826 1.00 36.20 ? 108 LEU B CB 1 ATOM 3227 C CG . LEU B 1 41 ? -20.272 39.731 -75.857 1.00 38.02 ? 108 LEU B CG 1 ATOM 3228 C CD1 . LEU B 1 41 ? -18.909 39.080 -75.947 1.00 40.41 ? 108 LEU B CD1 1 ATOM 3229 C CD2 . LEU B 1 41 ? -21.005 39.215 -74.640 1.00 38.36 ? 108 LEU B CD2 1 ATOM 3230 N N . SER B 1 42 ? -20.956 44.394 -76.048 1.00 45.09 ? 109 SER B N 1 ATOM 3231 C CA . SER B 1 42 ? -20.538 45.768 -76.659 1.00 42.71 ? 109 SER B CA 1 ATOM 3232 C C . SER B 1 42 ? -21.716 46.608 -76.307 1.00 42.13 ? 109 SER B C 1 ATOM 3233 O O . SER B 1 42 ? -21.542 47.640 -75.760 1.00 43.65 ? 109 SER B O 1 ATOM 3234 C CB . SER B 1 42 ? -20.106 46.143 -78.111 1.00 44.89 ? 109 SER B CB 1 ATOM 3235 O OG . SER B 1 42 ? -18.802 45.698 -78.464 1.00 48.93 ? 109 SER B OG 1 ATOM 3236 N N . ALA B 1 43 ? -22.906 46.075 -76.529 1.00 43.00 ? 110 ALA B N 1 ATOM 3237 C CA . ALA B 1 43 ? -24.118 46.688 -76.034 1.00 41.41 ? 110 ALA B CA 1 ATOM 3238 C C . ALA B 1 43 ? -24.374 46.529 -74.530 1.00 45.91 ? 110 ALA B C 1 ATOM 3239 O O . ALA B 1 43 ? -25.390 46.997 -74.036 1.00 50.77 ? 110 ALA B O 1 ATOM 3240 C CB . ALA B 1 43 ? -25.308 46.135 -76.824 1.00 40.62 ? 110 ALA B CB 1 ATOM 3241 N N . GLY B 1 44 ? -23.529 45.799 -73.807 1.00 53.43 ? 111 GLY B N 1 ATOM 3242 C CA . GLY B 1 44 ? -23.671 45.699 -72.351 1.00 51.22 ? 111 GLY B CA 1 ATOM 3243 C C . GLY B 1 44 ? -22.377 45.305 -71.701 1.00 51.88 ? 111 GLY B C 1 ATOM 3244 O O . GLY B 1 44 ? -22.279 44.297 -71.005 1.00 66.81 ? 111 GLY B O 1 ATOM 3245 N N . GLY B 1 45 ? -21.367 46.089 -71.975 1.00 54.55 ? 112 GLY B N 1 ATOM 3246 C CA . GLY B 1 45 ? -20.027 45.791 -71.517 1.00 49.53 ? 112 GLY B CA 1 ATOM 3247 C C . GLY B 1 45 ? -19.013 46.638 -72.289 1.00 51.00 ? 112 GLY B C 1 ATOM 3248 O O . GLY B 1 45 ? -19.318 47.149 -73.405 1.00 54.74 ? 112 GLY B O 1 ATOM 3249 N N . ASP B 1 46 ? -17.810 46.724 -71.718 1.00 44.00 ? 113 ASP B N 1 ATOM 3250 C CA . ASP B 1 46 ? -16.694 47.487 -72.277 1.00 43.74 ? 113 ASP B CA 1 ATOM 3251 C C . ASP B 1 46 ? -15.835 46.617 -73.176 1.00 44.38 ? 113 ASP B C 1 ATOM 3252 O O . ASP B 1 46 ? -15.108 45.771 -72.718 1.00 44.50 ? 113 ASP B O 1 ATOM 3253 C CB . ASP B 1 46 ? -15.870 48.086 -71.157 1.00 44.80 ? 113 ASP B CB 1 ATOM 3254 C CG . ASP B 1 46 ? -16.741 48.873 -70.147 1.00 51.15 ? 113 ASP B CG 1 ATOM 3255 O OD1 . ASP B 1 46 ? -17.486 49.768 -70.545 1.00 56.33 ? 113 ASP B OD1 1 ATOM 3256 O OD2 . ASP B 1 46 ? -16.717 48.572 -68.952 1.00 61.88 ? 113 ASP B OD2 1 ATOM 3257 N N . ILE B 1 47 ? -15.994 46.829 -74.476 1.00 41.70 ? 114 ILE B N 1 ATOM 3258 C CA . ILE B 1 47 ? -15.377 46.043 -75.546 1.00 38.37 ? 114 ILE B CA 1 ATOM 3259 C C . ILE B 1 47 ? -14.731 46.983 -76.597 1.00 33.93 ? 114 ILE B C 1 ATOM 3260 O O . ILE B 1 47 ? -15.260 48.015 -76.928 1.00 33.40 ? 114 ILE B O 1 ATOM 3261 C CB . ILE B 1 47 ? -16.444 45.233 -76.299 1.00 39.62 ? 114 ILE B CB 1 ATOM 3262 C CG1 . ILE B 1 47 ? -17.179 44.225 -75.360 1.00 38.77 ? 114 ILE B CG1 1 ATOM 3263 C CG2 . ILE B 1 47 ? -15.842 44.523 -77.487 1.00 33.68 ? 114 ILE B CG2 1 ATOM 3264 C CD1 . ILE B 1 47 ? -16.298 43.102 -74.819 1.00 38.69 ? 114 ILE B CD1 1 ATOM 3265 N N . TRP B 1 48 ? -13.547 46.631 -77.032 1.00 35.62 ? 115 TRP B N 1 ATOM 3266 C CA . TRP B 1 48 ? -12.771 47.427 -77.980 1.00 34.64 ? 115 TRP B CA 1 ATOM 3267 C C . TRP B 1 48 ? -13.472 47.578 -79.312 1.00 34.37 ? 115 TRP B C 1 ATOM 3268 O O . TRP B 1 48 ? -14.116 46.642 -79.769 1.00 32.70 ? 115 TRP B O 1 ATOM 3269 C CB . TRP B 1 48 ? -11.466 46.711 -78.297 1.00 34.76 ? 115 TRP B CB 1 ATOM 3270 C CG . TRP B 1 48 ? -10.416 46.971 -77.290 1.00 36.55 ? 115 TRP B CG 1 ATOM 3271 C CD1 . TRP B 1 48 ? -10.213 46.290 -76.135 1.00 40.95 ? 115 TRP B CD1 1 ATOM 3272 C CD2 . TRP B 1 48 ? -9.420 47.969 -77.342 1.00 36.11 ? 115 TRP B CD2 1 ATOM 3273 N NE1 . TRP B 1 48 ? -9.143 46.781 -75.467 1.00 38.05 ? 115 TRP B NE1 1 ATOM 3274 C CE2 . TRP B 1 48 ? -8.647 47.839 -76.165 1.00 38.38 ? 115 TRP B CE2 1 ATOM 3275 C CE3 . TRP B 1 48 ? -9.099 48.980 -78.260 1.00 38.99 ? 115 TRP B CE3 1 ATOM 3276 C CZ2 . TRP B 1 48 ? -7.550 48.657 -75.882 1.00 38.77 ? 115 TRP B CZ2 1 ATOM 3277 C CZ3 . TRP B 1 48 ? -8.006 49.833 -77.968 1.00 41.69 ? 115 TRP B CZ3 1 ATOM 3278 C CH2 . TRP B 1 48 ? -7.228 49.634 -76.806 1.00 42.03 ? 115 TRP B CH2 1 ATOM 3279 N N . VAL B 1 49 ? -13.408 48.776 -79.876 1.00 33.65 ? 116 VAL B N 1 ATOM 3280 C CA . VAL B 1 49 ? -13.732 49.000 -81.269 1.00 33.52 ? 116 VAL B CA 1 ATOM 3281 C C . VAL B 1 49 ? -12.539 48.546 -82.116 1.00 38.57 ? 116 VAL B C 1 ATOM 3282 O O . VAL B 1 49 ? -11.387 48.902 -81.823 1.00 38.50 ? 116 VAL B O 1 ATOM 3283 C CB . VAL B 1 49 ? -13.996 50.453 -81.552 1.00 34.46 ? 116 VAL B CB 1 ATOM 3284 C CG1 . VAL B 1 49 ? -14.107 50.719 -83.058 1.00 35.12 ? 116 VAL B CG1 1 ATOM 3285 C CG2 . VAL B 1 49 ? -15.253 50.894 -80.856 1.00 33.67 ? 116 VAL B CG2 1 ATOM 3286 N N . THR B 1 50 ? -12.821 47.724 -83.127 1.00 36.97 ? 117 THR B N 1 ATOM 3287 C CA . THR B 1 50 ? -11.795 47.184 -83.984 1.00 39.24 ? 117 THR B CA 1 ATOM 3288 C C . THR B 1 50 ? -12.136 47.158 -85.477 1.00 38.85 ? 117 THR B C 1 ATOM 3289 O O . THR B 1 50 ? -13.277 47.361 -85.885 1.00 37.51 ? 117 THR B O 1 ATOM 3290 C CB . THR B 1 50 ? -11.507 45.695 -83.590 1.00 45.95 ? 117 THR B CB 1 ATOM 3291 O OG1 . THR B 1 50 ? -12.632 44.883 -83.847 1.00 40.87 ? 117 THR B OG1 1 ATOM 3292 C CG2 . THR B 1 50 ? -11.179 45.500 -82.129 1.00 45.93 ? 117 THR B CG2 1 ATOM 3293 N N . ARG B 1 51 ? -11.144 46.753 -86.264 1.00 36.81 ? 118 ARG B N 1 ATOM 3294 C CA . ARG B 1 51 ? -11.339 46.246 -87.635 1.00 39.45 ? 118 ARG B CA 1 ATOM 3295 C C . ARG B 1 51 ? -10.108 45.489 -88.102 1.00 43.31 ? 118 ARG B C 1 ATOM 3296 O O . ARG B 1 51 ? -9.071 45.483 -87.413 1.00 36.57 ? 118 ARG B O 1 ATOM 3297 C CB . ARG B 1 51 ? -11.671 47.357 -88.640 1.00 38.90 ? 118 ARG B CB 1 ATOM 3298 C CG . ARG B 1 51 ? -13.170 47.491 -88.951 1.00 40.64 ? 118 ARG B CG 1 ATOM 3299 C CD . ARG B 1 51 ? -13.455 47.961 -90.404 1.00 38.63 ? 118 ARG B CD 1 ATOM 3300 N NE . ARG B 1 51 ? -13.072 46.924 -91.342 1.00 43.16 ? 118 ARG B NE 1 ATOM 3301 C CZ . ARG B 1 51 ? -12.653 47.103 -92.586 1.00 44.00 ? 118 ARG B CZ 1 ATOM 3302 N NH1 . ARG B 1 51 ? -12.656 48.299 -93.114 1.00 44.18 ? 118 ARG B NH1 1 ATOM 3303 N NH2 . ARG B 1 51 ? -12.281 46.057 -93.321 1.00 46.21 ? 118 ARG B NH2 1 ATOM 3304 N N . GLU B 1 52 ? -10.216 44.881 -89.293 1.00 37.67 ? 119 GLU B N 1 ATOM 3305 C CA . GLU B 1 52 ? -9.081 44.183 -89.910 1.00 36.31 ? 119 GLU B CA 1 ATOM 3306 C C . GLU B 1 52 ? -8.559 43.087 -88.969 1.00 36.31 ? 119 GLU B C 1 ATOM 3307 O O . GLU B 1 52 ? -7.386 43.017 -88.646 1.00 36.94 ? 119 GLU B O 1 ATOM 3308 C CB . GLU B 1 52 ? -7.958 45.152 -90.308 1.00 34.50 ? 119 GLU B CB 1 ATOM 3309 C CG . GLU B 1 52 ? -8.293 46.191 -91.372 1.00 40.08 ? 119 GLU B CG 1 ATOM 3310 C CD . GLU B 1 52 ? -8.902 47.528 -90.852 1.00 48.35 ? 119 GLU B CD 1 ATOM 3311 O OE1 . GLU B 1 52 ? -8.623 47.974 -89.715 1.00 46.02 ? 119 GLU B OE1 1 ATOM 3312 O OE2 . GLU B 1 52 ? -9.643 48.165 -91.626 1.00 48.14 ? 119 GLU B OE2 1 ATOM 3313 N N . PRO B 1 53 ? -9.442 42.150 -88.585 1.00 39.36 ? 120 PRO B N 1 ATOM 3314 C CA . PRO B 1 53 ? -8.995 41.090 -87.713 1.00 34.38 ? 120 PRO B CA 1 ATOM 3315 C C . PRO B 1 53 ? -8.356 39.981 -88.485 1.00 33.51 ? 120 PRO B C 1 ATOM 3316 O O . PRO B 1 53 ? -8.530 39.885 -89.689 1.00 35.04 ? 120 PRO B O 1 ATOM 3317 C CB . PRO B 1 53 ? -10.294 40.570 -87.135 1.00 33.35 ? 120 PRO B CB 1 ATOM 3318 C CG . PRO B 1 53 ? -11.270 40.728 -88.308 1.00 34.75 ? 120 PRO B CG 1 ATOM 3319 C CD . PRO B 1 53 ? -10.878 42.011 -88.945 1.00 36.81 ? 120 PRO B CD 1 ATOM 3320 N N . TYR B 1 54 ? -7.693 39.097 -87.751 1.00 36.29 ? 121 TYR B N 1 ATOM 3321 C CA . TYR B 1 54 ? -7.249 37.851 -88.301 1.00 33.88 ? 121 TYR B CA 1 ATOM 3322 C C . TYR B 1 54 ? -6.942 36.846 -87.192 1.00 34.40 ? 121 TYR B C 1 ATOM 3323 O O . TYR B 1 54 ? -7.094 37.141 -85.988 1.00 38.13 ? 121 TYR B O 1 ATOM 3324 C CB . TYR B 1 54 ? -6.062 38.067 -89.246 1.00 33.57 ? 121 TYR B CB 1 ATOM 3325 C CG . TYR B 1 54 ? -4.851 38.737 -88.606 1.00 34.16 ? 121 TYR B CG 1 ATOM 3326 C CD1 . TYR B 1 54 ? -4.710 40.088 -88.667 1.00 30.47 ? 121 TYR B CD1 1 ATOM 3327 C CD2 . TYR B 1 54 ? -3.802 38.000 -88.071 1.00 31.09 ? 121 TYR B CD2 1 ATOM 3328 C CE1 . TYR B 1 54 ? -3.622 40.725 -88.130 1.00 32.86 ? 121 TYR B CE1 1 ATOM 3329 C CE2 . TYR B 1 54 ? -2.709 38.640 -87.493 1.00 32.74 ? 121 TYR B CE2 1 ATOM 3330 C CZ . TYR B 1 54 ? -2.630 40.010 -87.542 1.00 34.45 ? 121 TYR B CZ 1 ATOM 3331 O OH . TYR B 1 54 ? -1.584 40.746 -87.016 1.00 33.68 ? 121 TYR B OH 1 ATOM 3332 N N . VAL B 1 55 ? -6.508 35.657 -87.601 1.00 32.96 ? 122 VAL B N 1 ATOM 3333 C CA . VAL B 1 55 ? -6.219 34.608 -86.690 1.00 31.55 ? 122 VAL B CA 1 ATOM 3334 C C . VAL B 1 55 ? -4.884 34.011 -87.062 1.00 32.46 ? 122 VAL B C 1 ATOM 3335 O O . VAL B 1 55 ? -4.570 33.869 -88.225 1.00 37.05 ? 122 VAL B O 1 ATOM 3336 C CB . VAL B 1 55 ? -7.345 33.556 -86.745 1.00 35.57 ? 122 VAL B CB 1 ATOM 3337 C CG1 . VAL B 1 55 ? -7.045 32.383 -85.855 1.00 39.75 ? 122 VAL B CG1 1 ATOM 3338 C CG2 . VAL B 1 55 ? -8.697 34.163 -86.372 1.00 34.26 ? 122 VAL B CG2 1 ATOM 3339 N N . SER B 1 56 ? -4.117 33.599 -86.047 1.00 33.98 ? 123 SER B N 1 ATOM 3340 C CA . SER B 1 56 ? -2.904 32.873 -86.240 1.00 35.07 ? 123 SER B CA 1 ATOM 3341 C C . SER B 1 56 ? -2.662 31.984 -84.997 1.00 40.21 ? 123 SER B C 1 ATOM 3342 O O . SER B 1 56 ? -3.032 32.357 -83.888 1.00 41.40 ? 123 SER B O 1 ATOM 3343 C CB . SER B 1 56 ? -1.761 33.844 -86.496 1.00 36.75 ? 123 SER B CB 1 ATOM 3344 O OG . SER B 1 56 ? -0.579 33.130 -86.842 1.00 38.50 ? 123 SER B OG 1 ATOM 3345 N N . CYS B 1 57 ? -2.074 30.796 -85.195 1.00 44.12 ? 124 CYS B N 1 ATOM 3346 C CA . CYS B 1 57 ? -1.835 29.807 -84.115 1.00 43.20 ? 124 CYS B CA 1 ATOM 3347 C C . CYS B 1 57 ? -0.355 29.581 -83.929 1.00 42.94 ? 124 CYS B C 1 ATOM 3348 O O . CYS B 1 57 ? 0.367 29.422 -84.890 1.00 42.21 ? 124 CYS B O 1 ATOM 3349 C CB . CYS B 1 57 ? -2.522 28.465 -84.416 1.00 47.33 ? 124 CYS B CB 1 ATOM 3350 S SG . CYS B 1 57 ? -4.299 28.694 -84.790 1.00 52.86 ? 124 CYS B SG 1 ATOM 3351 N N . SER B 1 58 ? 0.103 29.626 -82.685 1.00 42.03 ? 125 SER B N 1 ATOM 3352 C CA . SER B 1 58 ? 1.391 29.048 -82.308 1.00 46.71 ? 125 SER B CA 1 ATOM 3353 C C . SER B 1 58 ? 1.190 27.511 -82.288 1.00 50.96 ? 125 SER B C 1 ATOM 3354 O O . SER B 1 58 ? 0.090 27.038 -82.501 1.00 43.99 ? 125 SER B O 1 ATOM 3355 C CB . SER B 1 58 ? 1.820 29.525 -80.931 1.00 44.25 ? 125 SER B CB 1 ATOM 3356 O OG . SER B 1 58 ? 0.885 29.130 -79.945 1.00 36.89 ? 125 SER B OG 1 ATOM 3357 N N . PRO B 1 59 ? 2.257 26.729 -82.071 1.00 59.12 ? 126 PRO B N 1 ATOM 3358 C CA . PRO B 1 59 ? 2.049 25.254 -81.981 1.00 58.30 ? 126 PRO B CA 1 ATOM 3359 C C . PRO B 1 59 ? 1.187 24.861 -80.762 1.00 56.71 ? 126 PRO B C 1 ATOM 3360 O O . PRO B 1 59 ? 0.473 23.892 -80.835 1.00 62.77 ? 126 PRO B O 1 ATOM 3361 C CB . PRO B 1 59 ? 3.464 24.711 -81.825 1.00 57.29 ? 126 PRO B CB 1 ATOM 3362 C CG . PRO B 1 59 ? 4.331 25.780 -82.448 1.00 62.40 ? 126 PRO B CG 1 ATOM 3363 C CD . PRO B 1 59 ? 3.680 27.093 -82.120 1.00 56.10 ? 126 PRO B CD 1 ATOM 3364 N N . GLY B 1 60 ? 1.200 25.673 -79.703 1.00 58.55 ? 127 GLY B N 1 ATOM 3365 C CA . GLY B 1 60 ? 0.377 25.453 -78.506 1.00 50.03 ? 127 GLY B CA 1 ATOM 3366 C C . GLY B 1 60 ? -1.023 26.048 -78.521 1.00 53.22 ? 127 GLY B C 1 ATOM 3367 O O . GLY B 1 60 ? -1.950 25.441 -78.008 1.00 60.35 ? 127 GLY B O 1 ATOM 3368 N N . LYS B 1 61 ? -1.216 27.227 -79.087 1.00 53.61 ? 128 LYS B N 1 ATOM 3369 C CA . LYS B 1 61 ? -2.584 27.748 -79.218 1.00 54.33 ? 128 LYS B CA 1 ATOM 3370 C C . LYS B 1 61 ? -2.862 28.813 -80.286 1.00 46.78 ? 128 LYS B C 1 ATOM 3371 O O . LYS B 1 61 ? -1.959 29.429 -80.833 1.00 43.70 ? 128 LYS B O 1 ATOM 3372 C CB . LYS B 1 61 ? -3.087 28.221 -77.855 1.00 56.16 ? 128 LYS B CB 1 ATOM 3373 C CG . LYS B 1 61 ? -2.562 29.546 -77.382 1.00 62.95 ? 128 LYS B CG 1 ATOM 3374 C CD . LYS B 1 61 ? -2.644 29.648 -75.855 1.00 69.81 ? 128 LYS B CD 1 ATOM 3375 C CE . LYS B 1 61 ? -3.747 28.797 -75.242 1.00 70.65 ? 128 LYS B CE 1 ATOM 3376 N NZ . LYS B 1 61 ? -3.593 28.784 -73.769 1.00 70.46 ? 128 LYS B NZ 1 ATOM 3377 N N . CYS B 1 62 ? -4.148 29.051 -80.480 1.00 37.43 ? 129 CYS B N 1 ATOM 3378 C CA . CYS B 1 62 ? -4.639 30.033 -81.405 1.00 41.26 ? 129 CYS B CA 1 ATOM 3379 C C . CYS B 1 62 ? -5.004 31.376 -80.814 1.00 39.92 ? 129 CYS B C 1 ATOM 3380 O O . CYS B 1 62 ? -5.513 31.466 -79.703 1.00 32.84 ? 129 CYS B O 1 ATOM 3381 C CB . CYS B 1 62 ? -5.852 29.494 -82.109 1.00 46.98 ? 129 CYS B CB 1 ATOM 3382 S SG . CYS B 1 62 ? -5.454 28.058 -83.115 1.00 59.02 ? 129 CYS B SG 1 ATOM 3383 N N . TYR B 1 63 ? -4.765 32.423 -81.597 1.00 36.35 ? 130 TYR B N 1 ATOM 3384 C CA . TYR B 1 63 ? -5.073 33.755 -81.144 1.00 38.48 ? 130 TYR B CA 1 ATOM 3385 C C . TYR B 1 63 ? -5.851 34.505 -82.162 1.00 37.88 ? 130 TYR B C 1 ATOM 3386 O O . TYR B 1 63 ? -5.706 34.260 -83.351 1.00 38.68 ? 130 TYR B O 1 ATOM 3387 C CB . TYR B 1 63 ? -3.780 34.504 -80.869 1.00 43.17 ? 130 TYR B CB 1 ATOM 3388 C CG . TYR B 1 63 ? -2.983 33.949 -79.714 1.00 41.91 ? 130 TYR B CG 1 ATOM 3389 C CD1 . TYR B 1 63 ? -2.144 32.886 -79.903 1.00 42.59 ? 130 TYR B CD1 1 ATOM 3390 C CD2 . TYR B 1 63 ? -3.079 34.522 -78.405 1.00 48.85 ? 130 TYR B CD2 1 ATOM 3391 C CE1 . TYR B 1 63 ? -1.390 32.382 -78.851 1.00 43.63 ? 130 TYR B CE1 1 ATOM 3392 C CE2 . TYR B 1 63 ? -2.309 34.045 -77.344 1.00 45.04 ? 130 TYR B CE2 1 ATOM 3393 C CZ . TYR B 1 63 ? -1.457 32.976 -77.588 1.00 46.91 ? 130 TYR B CZ 1 ATOM 3394 O OH . TYR B 1 63 ? -0.716 32.449 -76.572 1.00 48.46 ? 130 TYR B OH 1 ATOM 3395 N N . GLN B 1 64 ? -6.697 35.408 -81.682 1.00 36.05 ? 131 GLN B N 1 ATOM 3396 C CA . GLN B 1 64 ? -7.328 36.369 -82.563 1.00 36.25 ? 131 GLN B CA 1 ATOM 3397 C C . GLN B 1 64 ? -6.642 37.708 -82.413 1.00 34.19 ? 131 GLN B C 1 ATOM 3398 O O . GLN B 1 64 ? -6.247 38.111 -81.308 1.00 30.07 ? 131 GLN B O 1 ATOM 3399 C CB . GLN B 1 64 ? -8.843 36.488 -82.351 1.00 36.15 ? 131 GLN B CB 1 ATOM 3400 C CG . GLN B 1 64 ? -9.298 36.807 -80.933 1.00 44.72 ? 131 GLN B CG 1 ATOM 3401 C CD . GLN B 1 64 ? -10.817 36.692 -80.745 1.00 40.35 ? 131 GLN B CD 1 ATOM 3402 O OE1 . GLN B 1 64 ? -11.352 35.614 -80.635 1.00 48.57 ? 131 GLN B OE1 1 ATOM 3403 N NE2 . GLN B 1 64 ? -11.496 37.819 -80.744 1.00 49.52 ? 131 GLN B NE2 1 ATOM 3404 N N . PHE B 1 65 ? -6.528 38.404 -83.550 1.00 30.86 ? 132 PHE B N 1 ATOM 3405 C CA . PHE B 1 65 ? -5.910 39.701 -83.601 1.00 28.89 ? 132 PHE B CA 1 ATOM 3406 C C . PHE B 1 65 ? -6.828 40.697 -84.239 1.00 29.39 ? 132 PHE B C 1 ATOM 3407 O O . PHE B 1 65 ? -7.687 40.327 -85.050 1.00 31.12 ? 132 PHE B O 1 ATOM 3408 C CB . PHE B 1 65 ? -4.669 39.624 -84.520 1.00 30.70 ? 132 PHE B CB 1 ATOM 3409 C CG . PHE B 1 65 ? -3.579 38.743 -84.005 1.00 29.04 ? 132 PHE B CG 1 ATOM 3410 C CD1 . PHE B 1 65 ? -3.574 37.426 -84.281 1.00 30.29 ? 132 PHE B CD1 1 ATOM 3411 C CD2 . PHE B 1 65 ? -2.510 39.288 -83.313 1.00 31.67 ? 132 PHE B CD2 1 ATOM 3412 C CE1 . PHE B 1 65 ? -2.522 36.600 -83.839 1.00 31.93 ? 132 PHE B CE1 1 ATOM 3413 C CE2 . PHE B 1 65 ? -1.467 38.487 -82.848 1.00 31.87 ? 132 PHE B CE2 1 ATOM 3414 C CZ . PHE B 1 65 ? -1.485 37.131 -83.095 1.00 31.48 ? 132 PHE B CZ 1 ATOM 3415 N N . ALA B 1 66 ? -6.579 41.966 -83.975 1.00 28.77 ? 133 ALA B N 1 ATOM 3416 C CA . ALA B 1 66 ? -7.266 43.010 -84.729 1.00 33.11 ? 133 ALA B CA 1 ATOM 3417 C C . ALA B 1 66 ? -6.657 44.362 -84.480 1.00 32.68 ? 133 ALA B C 1 ATOM 3418 O O . ALA B 1 66 ? -5.964 44.540 -83.508 1.00 34.23 ? 133 ALA B O 1 ATOM 3419 C CB . ALA B 1 66 ? -8.744 43.070 -84.313 1.00 34.02 ? 133 ALA B CB 1 ATOM 3420 N N . LEU B 1 67 ? -7.035 45.342 -85.288 1.00 30.30 ? 134 LEU B N 1 ATOM 3421 C CA . LEU B 1 67 ? -6.558 46.666 -85.086 1.00 33.41 ? 134 LEU B CA 1 ATOM 3422 C C . LEU B 1 67 ? -7.567 47.438 -84.288 1.00 36.49 ? 134 LEU B C 1 ATOM 3423 O O . LEU B 1 67 ? -8.651 47.747 -84.783 1.00 39.17 ? 134 LEU B O 1 ATOM 3424 C CB . LEU B 1 67 ? -6.279 47.364 -86.405 1.00 33.50 ? 134 LEU B CB 1 ATOM 3425 C CG . LEU B 1 67 ? -5.271 46.693 -87.349 1.00 34.74 ? 134 LEU B CG 1 ATOM 3426 C CD1 . LEU B 1 67 ? -5.157 47.418 -88.691 1.00 35.90 ? 134 LEU B CD1 1 ATOM 3427 C CD2 . LEU B 1 67 ? -3.931 46.645 -86.708 1.00 36.35 ? 134 LEU B CD2 1 ATOM 3428 N N . GLY B 1 68 ? -7.213 47.773 -83.053 1.00 34.67 ? 135 GLY B N 1 ATOM 3429 C CA . GLY B 1 68 ? -8.085 48.580 -82.229 1.00 34.32 ? 135 GLY B CA 1 ATOM 3430 C C . GLY B 1 68 ? -8.111 50.010 -82.722 1.00 34.65 ? 135 GLY B C 1 ATOM 3431 O O . GLY B 1 68 ? -7.260 50.428 -83.526 1.00 34.34 ? 135 GLY B O 1 ATOM 3432 N N . GLN B 1 69 ? -9.109 50.756 -82.250 1.00 33.98 ? 136 GLN B N 1 ATOM 3433 C CA . GLN B 1 69 ? -9.261 52.178 -82.551 1.00 34.81 ? 136 GLN B CA 1 ATOM 3434 C C . GLN B 1 69 ? -9.011 53.032 -81.325 1.00 34.22 ? 136 GLN B C 1 ATOM 3435 O O . GLN B 1 69 ? -9.397 54.158 -81.263 1.00 34.89 ? 136 GLN B O 1 ATOM 3436 C CB . GLN B 1 69 ? -10.652 52.438 -83.101 1.00 37.32 ? 136 GLN B CB 1 ATOM 3437 C CG . GLN B 1 69 ? -10.796 51.822 -84.500 1.00 39.25 ? 136 GLN B CG 1 ATOM 3438 C CD . GLN B 1 69 ? -10.219 52.730 -85.569 1.00 38.32 ? 136 GLN B CD 1 ATOM 3439 O OE1 . GLN B 1 69 ? -9.473 53.656 -85.272 1.00 40.03 ? 136 GLN B OE1 1 ATOM 3440 N NE2 . GLN B 1 69 ? -10.606 52.495 -86.794 1.00 39.49 ? 136 GLN B NE2 1 ATOM 3441 N N . GLY B 1 70 ? -8.324 52.478 -80.340 1.00 38.76 ? 137 GLY B N 1 ATOM 3442 C CA . GLY B 1 70 ? -7.952 53.247 -79.156 1.00 39.06 ? 137 GLY B CA 1 ATOM 3443 C C . GLY B 1 70 ? -9.128 53.631 -78.280 1.00 36.60 ? 137 GLY B C 1 ATOM 3444 O O . GLY B 1 70 ? -9.085 54.613 -77.578 1.00 37.06 ? 137 GLY B O 1 ATOM 3445 N N . THR B 1 71 ? -10.172 52.840 -78.329 1.00 36.53 ? 138 THR B N 1 ATOM 3446 C CA . THR B 1 71 ? -11.403 53.142 -77.636 1.00 37.12 ? 138 THR B CA 1 ATOM 3447 C C . THR B 1 71 ? -12.300 51.918 -77.576 1.00 38.72 ? 138 THR B C 1 ATOM 3448 O O . THR B 1 71 ? -12.175 51.000 -78.393 1.00 36.55 ? 138 THR B O 1 ATOM 3449 C CB . THR B 1 71 ? -12.188 54.256 -78.336 1.00 38.01 ? 138 THR B CB 1 ATOM 3450 O OG1 . THR B 1 71 ? -13.380 54.573 -77.569 1.00 37.19 ? 138 THR B OG1 1 ATOM 3451 C CG2 . THR B 1 71 ? -12.542 53.865 -79.773 1.00 37.37 ? 138 THR B CG2 1 ATOM 3452 N N . THR B 1 72 ? -13.171 51.917 -76.583 1.00 35.37 ? 139 THR B N 1 ATOM 3453 C CA . THR B 1 72 ? -14.258 50.971 -76.516 1.00 33.87 ? 139 THR B CA 1 ATOM 3454 C C . THR B 1 72 ? -15.431 51.524 -77.286 1.00 33.16 ? 139 THR B C 1 ATOM 3455 O O . THR B 1 72 ? -15.428 52.658 -77.734 1.00 36.26 ? 139 THR B O 1 ATOM 3456 C CB . THR B 1 72 ? -14.675 50.682 -75.065 1.00 35.59 ? 139 THR B CB 1 ATOM 3457 O OG1 . THR B 1 72 ? -14.794 51.883 -74.301 1.00 37.24 ? 139 THR B OG1 1 ATOM 3458 C CG2 . THR B 1 72 ? -13.627 49.783 -74.407 1.00 37.25 ? 139 THR B CG2 1 ATOM 3459 N N . LEU B 1 73 ? -16.422 50.707 -77.481 1.00 34.38 ? 140 LEU B N 1 ATOM 3460 C CA . LEU B 1 73 ? -17.543 51.087 -78.356 1.00 39.12 ? 140 LEU B CA 1 ATOM 3461 C C . LEU B 1 73 ? -18.564 51.987 -77.642 1.00 42.96 ? 140 LEU B C 1 ATOM 3462 O O . LEU B 1 73 ? -18.950 53.012 -78.168 1.00 44.90 ? 140 LEU B O 1 ATOM 3463 C CB . LEU B 1 73 ? -18.164 49.853 -78.847 1.00 31.04 ? 140 LEU B CB 1 ATOM 3464 C CG . LEU B 1 73 ? -19.501 49.680 -79.535 1.00 32.64 ? 140 LEU B CG 1 ATOM 3465 C CD1 . LEU B 1 73 ? -20.593 50.642 -79.170 1.00 34.03 ? 140 LEU B CD1 1 ATOM 3466 C CD2 . LEU B 1 73 ? -19.380 49.435 -81.025 1.00 32.70 ? 140 LEU B CD2 1 ATOM 3467 N N . ASN B 1 74 ? -18.896 51.666 -76.412 1.00 41.58 ? 141 ASN B N 1 ATOM 3468 C CA . ASN B 1 74 ? -19.713 52.583 -75.608 1.00 39.51 ? 141 ASN B CA 1 ATOM 3469 C C . ASN B 1 74 ? -18.861 53.683 -74.902 1.00 43.84 ? 141 ASN B C 1 ATOM 3470 O O . ASN B 1 74 ? -18.555 53.590 -73.711 1.00 44.05 ? 141 ASN B O 1 ATOM 3471 C CB . ASN B 1 74 ? -20.441 51.758 -74.576 1.00 31.13 ? 141 ASN B CB 1 ATOM 3472 C CG . ASN B 1 74 ? -21.555 52.546 -73.899 1.00 36.39 ? 141 ASN B CG 1 ATOM 3473 O OD1 . ASN B 1 74 ? -21.978 53.639 -74.330 1.00 32.74 ? 141 ASN B OD1 1 ATOM 3474 N ND2 . ASN B 1 74 ? -21.989 52.041 -72.780 1.00 34.63 ? 141 ASN B ND2 1 ATOM 3475 N N . ASN B 1 75 ? -18.449 54.663 -75.702 1.00 41.23 ? 142 ASN B N 1 ATOM 3476 C CA . ASN B 1 75 ? -17.404 55.617 -75.376 1.00 37.02 ? 142 ASN B CA 1 ATOM 3477 C C . ASN B 1 75 ? -17.527 56.629 -76.476 1.00 38.14 ? 142 ASN B C 1 ATOM 3478 O O . ASN B 1 75 ? -17.592 56.279 -77.677 1.00 39.69 ? 142 ASN B O 1 ATOM 3479 C CB . ASN B 1 75 ? -16.053 54.871 -75.478 1.00 37.76 ? 142 ASN B CB 1 ATOM 3480 C CG . ASN B 1 75 ? -14.870 55.678 -75.008 1.00 33.79 ? 142 ASN B CG 1 ATOM 3481 O OD1 . ASN B 1 75 ? -14.787 56.864 -75.257 1.00 38.46 ? 142 ASN B OD1 1 ATOM 3482 N ND2 . ASN B 1 75 ? -13.947 55.030 -74.330 1.00 36.10 ? 142 ASN B ND2 1 ATOM 3483 N N . LYS B 1 76 ? -17.539 57.888 -76.134 1.00 39.05 ? 143 LYS B N 1 ATOM 3484 C CA . LYS B 1 76 ? -17.655 58.935 -77.172 1.00 42.98 ? 143 LYS B CA 1 ATOM 3485 C C . LYS B 1 76 ? -16.522 58.978 -78.172 1.00 44.14 ? 143 LYS B C 1 ATOM 3486 O O . LYS B 1 76 ? -16.713 59.459 -79.297 1.00 44.35 ? 143 LYS B O 1 ATOM 3487 C CB . LYS B 1 76 ? -17.851 60.297 -76.556 1.00 49.59 ? 143 LYS B CB 1 ATOM 3488 C CG . LYS B 1 76 ? -19.255 60.424 -76.003 1.00 55.91 ? 143 LYS B CG 1 ATOM 3489 C CD . LYS B 1 76 ? -19.479 61.701 -75.244 1.00 70.14 ? 143 LYS B CD 1 ATOM 3490 C CE . LYS B 1 76 ? -20.907 61.680 -74.726 1.00 81.05 ? 143 LYS B CE 1 ATOM 3491 N NZ . LYS B 1 76 ? -21.171 62.898 -73.930 1.00 88.91 ? 143 LYS B NZ 1 ATOM 3492 N N . HIS B 1 77 ? -15.360 58.446 -77.814 1.00 42.79 ? 144 HIS B N 1 ATOM 3493 C CA . HIS B 1 77 ? -14.278 58.373 -78.807 1.00 43.41 ? 144 HIS B CA 1 ATOM 3494 C C . HIS B 1 77 ? -14.551 57.383 -79.937 1.00 40.71 ? 144 HIS B C 1 ATOM 3495 O O . HIS B 1 77 ? -13.754 57.289 -80.861 1.00 37.10 ? 144 HIS B O 1 ATOM 3496 C CB . HIS B 1 77 ? -12.932 58.013 -78.181 1.00 46.12 ? 144 HIS B CB 1 ATOM 3497 C CG . HIS B 1 77 ? -12.444 59.021 -77.199 1.00 46.26 ? 144 HIS B CG 1 ATOM 3498 N ND1 . HIS B 1 77 ? -12.770 58.953 -75.865 1.00 44.78 ? 144 HIS B ND1 1 ATOM 3499 C CD2 . HIS B 1 77 ? -11.661 60.117 -77.349 1.00 41.69 ? 144 HIS B CD2 1 ATOM 3500 C CE1 . HIS B 1 77 ? -12.246 59.989 -75.242 1.00 42.80 ? 144 HIS B CE1 1 ATOM 3501 N NE2 . HIS B 1 77 ? -11.552 60.692 -76.120 1.00 41.93 ? 144 HIS B NE2 1 ATOM 3502 N N . SER B 1 78 ? -15.623 56.598 -79.846 1.00 43.96 ? 145 SER B N 1 ATOM 3503 C CA . SER B 1 78 ? -15.956 55.639 -80.943 1.00 42.30 ? 145 SER B CA 1 ATOM 3504 C C . SER B 1 78 ? -16.485 56.353 -82.171 1.00 42.18 ? 145 SER B C 1 ATOM 3505 O O . SER B 1 78 ? -16.579 55.763 -83.253 1.00 43.36 ? 145 SER B O 1 ATOM 3506 C CB . SER B 1 78 ? -16.987 54.588 -80.471 1.00 39.70 ? 145 SER B CB 1 ATOM 3507 O OG . SER B 1 78 ? -18.230 55.198 -80.283 1.00 33.38 ? 145 SER B OG 1 ATOM 3508 N N . ASN B 1 79 ? -16.867 57.626 -81.994 1.00 45.54 ? 146 ASN B N 1 ATOM 3509 C CA . ASN B 1 79 ? -17.428 58.430 -83.096 1.00 49.56 ? 146 ASN B CA 1 ATOM 3510 C C . ASN B 1 79 ? -16.357 58.630 -84.192 1.00 49.81 ? 146 ASN B C 1 ATOM 3511 O O . ASN B 1 79 ? -15.265 59.030 -83.896 1.00 49.10 ? 146 ASN B O 1 ATOM 3512 C CB . ASN B 1 79 ? -17.856 59.788 -82.561 1.00 51.14 ? 146 ASN B CB 1 ATOM 3513 C CG . ASN B 1 79 ? -18.711 60.602 -83.543 1.00 57.13 ? 146 ASN B CG 1 ATOM 3514 O OD1 . ASN B 1 79 ? -18.739 60.376 -84.743 1.00 55.40 ? 146 ASN B OD1 1 ATOM 3515 N ND2 . ASN B 1 79 ? -19.424 61.578 -82.997 1.00 72.71 ? 146 ASN B ND2 1 ATOM 3516 N N . GLY B 1 80 ? -16.662 58.326 -85.435 1.00 45.73 ? 147 GLY B N 1 ATOM 3517 C CA . GLY B 1 80 ? -15.690 58.591 -86.510 1.00 43.29 ? 147 GLY B CA 1 ATOM 3518 C C . GLY B 1 80 ? -14.693 57.457 -86.773 1.00 44.29 ? 147 GLY B C 1 ATOM 3519 O O . GLY B 1 80 ? -13.756 57.635 -87.508 1.00 43.03 ? 147 GLY B O 1 ATOM 3520 N N . THR B 1 81 ? -14.929 56.282 -86.199 1.00 40.55 ? 148 THR B N 1 ATOM 3521 C CA . THR B 1 81 ? -14.017 55.178 -86.344 1.00 42.37 ? 148 THR B CA 1 ATOM 3522 C C . THR B 1 81 ? -14.066 54.468 -87.697 1.00 45.49 ? 148 THR B C 1 ATOM 3523 O O . THR B 1 81 ? -13.343 53.489 -87.904 1.00 44.99 ? 148 THR B O 1 ATOM 3524 C CB . THR B 1 81 ? -14.176 54.190 -85.172 1.00 40.97 ? 148 THR B CB 1 ATOM 3525 O OG1 . THR B 1 81 ? -15.562 53.947 -84.921 1.00 40.70 ? 148 THR B OG1 1 ATOM 3526 C CG2 . THR B 1 81 ? -13.568 54.800 -83.930 1.00 41.14 ? 148 THR B CG2 1 ATOM 3527 N N . ILE B 1 82 ? -14.834 54.989 -88.640 1.00 45.65 ? 149 ILE B N 1 ATOM 3528 C CA . ILE B 1 82 ? -14.654 54.591 -90.041 1.00 48.01 ? 149 ILE B CA 1 ATOM 3529 C C . ILE B 1 82 ? -13.251 54.931 -90.599 1.00 46.83 ? 149 ILE B C 1 ATOM 3530 O O . ILE B 1 82 ? -12.749 54.220 -91.449 1.00 52.76 ? 149 ILE B O 1 ATOM 3531 C CB . ILE B 1 82 ? -15.733 55.209 -90.975 1.00 53.90 ? 149 ILE B CB 1 ATOM 3532 C CG1 . ILE B 1 82 ? -15.678 54.525 -92.355 1.00 52.78 ? 149 ILE B CG1 1 ATOM 3533 C CG2 . ILE B 1 82 ? -15.594 56.737 -91.085 1.00 54.46 ? 149 ILE B CG2 1 ATOM 3534 C CD1 . ILE B 1 82 ? -16.890 54.818 -93.199 1.00 56.13 ? 149 ILE B CD1 1 ATOM 3535 N N . HIS B 1 83 ? -12.643 56.016 -90.144 1.00 44.78 ? 150 HIS B N 1 ATOM 3536 C CA . HIS B 1 83 ? -11.285 56.377 -90.576 1.00 50.84 ? 150 HIS B CA 1 ATOM 3537 C C . HIS B 1 83 ? -10.299 55.301 -90.190 1.00 47.44 ? 150 HIS B C 1 ATOM 3538 O O . HIS B 1 83 ? -10.311 54.778 -89.087 1.00 48.76 ? 150 HIS B O 1 ATOM 3539 C CB . HIS B 1 83 ? -10.849 57.788 -90.093 1.00 57.27 ? 150 HIS B CB 1 ATOM 3540 C CG . HIS B 1 83 ? -11.776 58.872 -90.582 1.00 78.56 ? 150 HIS B CG 1 ATOM 3541 N ND1 . HIS B 1 83 ? -11.999 59.117 -91.931 1.00 91.20 ? 150 HIS B ND1 1 ATOM 3542 C CD2 . HIS B 1 83 ? -12.614 59.702 -89.914 1.00 81.39 ? 150 HIS B CD2 1 ATOM 3543 C CE1 . HIS B 1 83 ? -12.899 60.075 -92.071 1.00 82.07 ? 150 HIS B CE1 1 ATOM 3544 N NE2 . HIS B 1 83 ? -13.286 60.447 -90.861 1.00 95.48 ? 150 HIS B NE2 1 ATOM 3545 N N . ASP B 1 84 ? -9.473 54.943 -91.154 1.00 45.19 ? 151 ASP B N 1 ATOM 3546 C CA . ASP B 1 84 ? -8.568 53.813 -91.054 1.00 46.46 ? 151 ASP B CA 1 ATOM 3547 C C . ASP B 1 84 ? -7.284 54.105 -90.279 1.00 40.17 ? 151 ASP B C 1 ATOM 3548 O O . ASP B 1 84 ? -6.665 53.198 -89.757 1.00 41.73 ? 151 ASP B O 1 ATOM 3549 C CB . ASP B 1 84 ? -8.167 53.327 -92.463 1.00 50.55 ? 151 ASP B CB 1 ATOM 3550 C CG . ASP B 1 84 ? -9.348 52.850 -93.299 1.00 59.69 ? 151 ASP B CG 1 ATOM 3551 O OD1 . ASP B 1 84 ? -10.226 52.141 -92.784 1.00 69.31 ? 151 ASP B OD1 1 ATOM 3552 O OD2 . ASP B 1 84 ? -9.389 53.161 -94.499 1.00 79.20 ? 151 ASP B OD2 1 ATOM 3553 N N . ARG B 1 85 ? -6.802 55.326 -90.318 1.00 37.22 ? 152 ARG B N 1 ATOM 3554 C CA . ARG B 1 85 ? -5.434 55.574 -89.868 1.00 40.68 ? 152 ARG B CA 1 ATOM 3555 C C . ARG B 1 85 ? -5.374 56.704 -88.896 1.00 36.52 ? 152 ARG B C 1 ATOM 3556 O O . ARG B 1 85 ? -5.418 57.828 -89.294 1.00 42.50 ? 152 ARG B O 1 ATOM 3557 C CB . ARG B 1 85 ? -4.475 55.807 -91.059 1.00 38.70 ? 152 ARG B CB 1 ATOM 3558 C CG . ARG B 1 85 ? -4.380 54.531 -91.897 1.00 38.98 ? 152 ARG B CG 1 ATOM 3559 C CD . ARG B 1 85 ? -3.430 54.676 -93.090 1.00 41.09 ? 152 ARG B CD 1 ATOM 3560 N NE . ARG B 1 85 ? -3.781 55.864 -93.868 1.00 44.00 ? 152 ARG B NE 1 ATOM 3561 C CZ . ARG B 1 85 ? -4.782 55.929 -94.753 1.00 44.09 ? 152 ARG B CZ 1 ATOM 3562 N NH1 . ARG B 1 85 ? -5.513 54.864 -95.016 1.00 43.26 ? 152 ARG B NH1 1 ATOM 3563 N NH2 . ARG B 1 85 ? -5.064 57.079 -95.343 1.00 41.99 ? 152 ARG B NH2 1 ATOM 3564 N N . ILE B 1 86 ? -5.253 56.366 -87.631 1.00 36.14 ? 153 ILE B N 1 ATOM 3565 C CA . ILE B 1 86 ? -4.965 57.321 -86.581 1.00 37.91 ? 153 ILE B CA 1 ATOM 3566 C C . ILE B 1 86 ? -3.813 56.788 -85.725 1.00 38.68 ? 153 ILE B C 1 ATOM 3567 O O . ILE B 1 86 ? -3.525 55.581 -85.692 1.00 35.86 ? 153 ILE B O 1 ATOM 3568 C CB . ILE B 1 86 ? -6.202 57.623 -85.703 1.00 41.67 ? 153 ILE B CB 1 ATOM 3569 C CG1 . ILE B 1 86 ? -6.748 56.371 -85.013 1.00 41.93 ? 153 ILE B CG1 1 ATOM 3570 C CG2 . ILE B 1 86 ? -7.312 58.260 -86.525 1.00 39.25 ? 153 ILE B CG2 1 ATOM 3571 C CD1 . ILE B 1 86 ? -7.803 56.652 -83.922 1.00 38.61 ? 153 ILE B CD1 1 ATOM 3572 N N . PRO B 1 87 ? -3.124 57.684 -85.039 1.00 39.17 ? 154 PRO B N 1 ATOM 3573 C CA . PRO B 1 87 ? -2.027 57.245 -84.203 1.00 38.50 ? 154 PRO B CA 1 ATOM 3574 C C . PRO B 1 87 ? -2.382 56.357 -83.012 1.00 39.96 ? 154 PRO B C 1 ATOM 3575 O O . PRO B 1 87 ? -1.501 55.697 -82.437 1.00 46.69 ? 154 PRO B O 1 ATOM 3576 C CB . PRO B 1 87 ? -1.420 58.572 -83.686 1.00 45.30 ? 154 PRO B CB 1 ATOM 3577 C CG . PRO B 1 87 ? -2.062 59.669 -84.497 1.00 41.49 ? 154 PRO B CG 1 ATOM 3578 C CD . PRO B 1 87 ? -3.378 59.136 -84.937 1.00 39.35 ? 154 PRO B CD 1 ATOM 3579 N N . HIS B 1 88 ? -3.650 56.299 -82.648 1.00 41.55 ? 155 HIS B N 1 ATOM 3580 C CA . HIS B 1 88 ? -4.058 55.504 -81.473 1.00 38.79 ? 155 HIS B CA 1 ATOM 3581 C C . HIS B 1 88 ? -4.392 54.075 -81.800 1.00 42.21 ? 155 HIS B C 1 ATOM 3582 O O . HIS B 1 88 ? -4.681 53.314 -80.873 1.00 39.18 ? 155 HIS B O 1 ATOM 3583 C CB . HIS B 1 88 ? -5.185 56.209 -80.784 1.00 37.59 ? 155 HIS B CB 1 ATOM 3584 C CG . HIS B 1 88 ? -4.929 57.662 -80.700 1.00 40.12 ? 155 HIS B CG 1 ATOM 3585 N ND1 . HIS B 1 88 ? -3.808 58.158 -80.074 1.00 43.90 ? 155 HIS B ND1 1 ATOM 3586 C CD2 . HIS B 1 88 ? -5.516 58.714 -81.321 1.00 41.33 ? 155 HIS B CD2 1 ATOM 3587 C CE1 . HIS B 1 88 ? -3.750 59.463 -80.250 1.00 44.32 ? 155 HIS B CE1 1 ATOM 3588 N NE2 . HIS B 1 88 ? -4.783 59.825 -80.995 1.00 44.79 ? 155 HIS B NE2 1 ATOM 3589 N N . ARG B 1 89 ? -4.307 53.667 -83.089 1.00 38.28 ? 156 ARG B N 1 ATOM 3590 C CA . ARG B 1 89 ? -4.574 52.261 -83.432 1.00 38.05 ? 156 ARG B CA 1 ATOM 3591 C C . ARG B 1 89 ? -3.427 51.373 -82.965 1.00 34.49 ? 156 ARG B C 1 ATOM 3592 O O . ARG B 1 89 ? -2.268 51.707 -83.195 1.00 34.70 ? 156 ARG B O 1 ATOM 3593 C CB . ARG B 1 89 ? -4.792 52.046 -84.930 1.00 37.55 ? 156 ARG B CB 1 ATOM 3594 C CG . ARG B 1 89 ? -5.984 52.833 -85.426 1.00 42.48 ? 156 ARG B CG 1 ATOM 3595 C CD . ARG B 1 89 ? -6.613 52.239 -86.670 1.00 39.30 ? 156 ARG B CD 1 ATOM 3596 N NE . ARG B 1 89 ? -7.406 51.039 -86.420 1.00 33.38 ? 156 ARG B NE 1 ATOM 3597 C CZ . ARG B 1 89 ? -8.075 50.409 -87.379 1.00 38.46 ? 156 ARG B CZ 1 ATOM 3598 N NH1 . ARG B 1 89 ? -8.019 50.858 -88.638 1.00 36.89 ? 156 ARG B NH1 1 ATOM 3599 N NH2 . ARG B 1 89 ? -8.846 49.357 -87.101 1.00 41.93 ? 156 ARG B NH2 1 ATOM 3600 N N . THR B 1 90 ? -3.781 50.244 -82.341 1.00 31.14 ? 157 THR B N 1 ATOM 3601 C CA . THR B 1 90 ? -2.826 49.267 -81.816 1.00 36.96 ? 157 THR B CA 1 ATOM 3602 C C . THR B 1 90 ? -3.265 47.887 -82.213 1.00 36.43 ? 157 THR B C 1 ATOM 3603 O O . THR B 1 90 ? -4.444 47.639 -82.395 1.00 35.67 ? 157 THR B O 1 ATOM 3604 C CB . THR B 1 90 ? -2.690 49.340 -80.239 1.00 37.39 ? 157 THR B CB 1 ATOM 3605 O OG1 . THR B 1 90 ? -3.980 49.205 -79.611 1.00 38.21 ? 157 THR B OG1 1 ATOM 3606 C CG2 . THR B 1 90 ? -2.109 50.665 -79.828 1.00 34.50 ? 157 THR B CG2 1 ATOM 3607 N N . LEU B 1 91 ? -2.312 46.986 -82.357 1.00 35.40 ? 158 LEU B N 1 ATOM 3608 C CA . LEU B 1 91 ? -2.624 45.585 -82.622 1.00 36.09 ? 158 LEU B CA 1 ATOM 3609 C C . LEU B 1 91 ? -3.018 44.834 -81.334 1.00 36.64 ? 158 LEU B C 1 ATOM 3610 O O . LEU B 1 91 ? -2.242 44.731 -80.379 1.00 39.40 ? 158 LEU B O 1 ATOM 3611 C CB . LEU B 1 91 ? -1.427 44.924 -83.258 1.00 36.01 ? 158 LEU B CB 1 ATOM 3612 C CG . LEU B 1 91 ? -1.610 43.446 -83.548 1.00 36.31 ? 158 LEU B CG 1 ATOM 3613 C CD1 . LEU B 1 91 ? -2.778 43.172 -84.458 1.00 35.15 ? 158 LEU B CD1 1 ATOM 3614 C CD2 . LEU B 1 91 ? -0.331 42.868 -84.137 1.00 35.34 ? 158 LEU B CD2 1 ATOM 3615 N N . LEU B 1 92 ? -4.265 44.400 -81.296 1.00 36.07 ? 159 LEU B N 1 ATOM 3616 C CA . LEU B 1 92 ? -4.827 43.632 -80.197 1.00 38.52 ? 159 LEU B CA 1 ATOM 3617 C C . LEU B 1 92 ? -4.610 42.156 -80.396 1.00 37.01 ? 159 LEU B C 1 ATOM 3618 O O . LEU B 1 92 ? -4.746 41.654 -81.504 1.00 39.35 ? 159 LEU B O 1 ATOM 3619 C CB . LEU B 1 92 ? -6.320 43.870 -80.046 1.00 38.35 ? 159 LEU B CB 1 ATOM 3620 C CG . LEU B 1 92 ? -6.749 45.329 -79.917 1.00 40.58 ? 159 LEU B CG 1 ATOM 3621 C CD1 . LEU B 1 92 ? -8.253 45.478 -79.930 1.00 41.49 ? 159 LEU B CD1 1 ATOM 3622 C CD2 . LEU B 1 92 ? -6.220 46.003 -78.663 1.00 44.83 ? 159 LEU B CD2 1 ATOM 3623 N N . MET B 1 93 ? -4.247 41.459 -79.308 1.00 37.15 ? 160 MET B N 1 ATOM 3624 C CA . MET B 1 93 ? -3.994 40.016 -79.349 1.00 38.60 ? 160 MET B CA 1 ATOM 3625 C C . MET B 1 93 ? -4.680 39.316 -78.166 1.00 39.74 ? 160 MET B C 1 ATOM 3626 O O . MET B 1 93 ? -4.447 39.640 -77.024 1.00 39.22 ? 160 MET B O 1 ATOM 3627 C CB . MET B 1 93 ? -2.491 39.732 -79.307 1.00 34.85 ? 160 MET B CB 1 ATOM 3628 C CG . MET B 1 93 ? -2.046 38.271 -79.312 1.00 35.71 ? 160 MET B CG 1 ATOM 3629 S SD . MET B 1 93 ? -0.236 38.135 -79.331 1.00 42.31 ? 160 MET B SD 1 ATOM 3630 C CE . MET B 1 93 ? -0.051 36.346 -79.469 1.00 39.61 ? 160 MET B CE 1 ATOM 3631 N N . SER B 1 94 ? -5.474 38.313 -78.452 1.00 41.11 ? 161 SER B N 1 ATOM 3632 C CA . SER B 1 94 ? -6.192 37.609 -77.396 1.00 41.33 ? 161 SER B CA 1 ATOM 3633 C C . SER B 1 94 ? -6.340 36.158 -77.793 1.00 40.90 ? 161 SER B C 1 ATOM 3634 O O . SER B 1 94 ? -6.359 35.853 -78.962 1.00 42.00 ? 161 SER B O 1 ATOM 3635 C CB . SER B 1 94 ? -7.521 38.328 -77.216 1.00 41.51 ? 161 SER B CB 1 ATOM 3636 O OG . SER B 1 94 ? -8.557 37.567 -76.754 1.00 37.61 ? 161 SER B OG 1 ATOM 3637 N N . GLU B 1 95 ? -6.442 35.268 -76.817 1.00 40.37 ? 162 GLU B N 1 ATOM 3638 C CA . GLU B 1 95 ? -6.653 33.874 -77.131 1.00 43.56 ? 162 GLU B CA 1 ATOM 3639 C C . GLU B 1 95 ? -7.959 33.787 -77.905 1.00 40.94 ? 162 GLU B C 1 ATOM 3640 O O . GLU B 1 95 ? -8.904 34.532 -77.621 1.00 37.36 ? 162 GLU B O 1 ATOM 3641 C CB . GLU B 1 95 ? -6.772 33.009 -75.912 1.00 42.81 ? 162 GLU B CB 1 ATOM 3642 C CG . GLU B 1 95 ? -5.545 32.979 -75.049 1.00 53.81 ? 162 GLU B CG 1 ATOM 3643 C CD . GLU B 1 95 ? -5.595 31.912 -73.923 1.00 64.89 ? 162 GLU B CD 1 ATOM 3644 O OE1 . GLU B 1 95 ? -6.439 30.986 -73.947 1.00 71.02 ? 162 GLU B OE1 1 ATOM 3645 O OE2 . GLU B 1 95 ? -4.724 31.959 -73.042 1.00 68.20 ? 162 GLU B OE2 1 ATOM 3646 N N . LEU B 1 96 ? -7.971 32.923 -78.917 1.00 35.37 ? 163 LEU B N 1 ATOM 3647 C CA . LEU B 1 96 ? -9.130 32.755 -79.772 1.00 36.57 ? 163 LEU B CA 1 ATOM 3648 C C . LEU B 1 96 ? -10.348 32.396 -78.939 1.00 34.56 ? 163 LEU B C 1 ATOM 3649 O O . LEU B 1 96 ? -10.304 31.479 -78.156 1.00 39.85 ? 163 LEU B O 1 ATOM 3650 C CB . LEU B 1 96 ? -8.869 31.661 -80.803 1.00 35.97 ? 163 LEU B CB 1 ATOM 3651 C CG . LEU B 1 96 ? -9.967 31.503 -81.872 1.00 36.36 ? 163 LEU B CG 1 ATOM 3652 C CD1 . LEU B 1 96 ? -10.105 32.705 -82.765 1.00 35.64 ? 163 LEU B CD1 1 ATOM 3653 C CD2 . LEU B 1 96 ? -9.680 30.290 -82.698 1.00 39.50 ? 163 LEU B CD2 1 ATOM 3654 N N . GLY B 1 97 ? -11.402 33.190 -79.086 1.00 34.57 ? 164 GLY B N 1 ATOM 3655 C CA . GLY B 1 97 ? -12.626 33.042 -78.330 1.00 35.76 ? 164 GLY B CA 1 ATOM 3656 C C . GLY B 1 97 ? -12.790 33.945 -77.124 1.00 39.54 ? 164 GLY B C 1 ATOM 3657 O O . GLY B 1 97 ? -13.917 34.037 -76.522 1.00 39.15 ? 164 GLY B O 1 ATOM 3658 N N . VAL B 1 98 ? -11.680 34.557 -76.700 1.00 37.08 ? 165 VAL B N 1 ATOM 3659 C CA . VAL B 1 98 ? -11.754 35.530 -75.621 1.00 32.93 ? 165 VAL B CA 1 ATOM 3660 C C . VAL B 1 98 ? -11.967 36.887 -76.281 1.00 32.80 ? 165 VAL B C 1 ATOM 3661 O O . VAL B 1 98 ? -11.136 37.345 -77.047 1.00 37.18 ? 165 VAL B O 1 ATOM 3662 C CB . VAL B 1 98 ? -10.484 35.552 -74.756 1.00 34.43 ? 165 VAL B CB 1 ATOM 3663 C CG1 . VAL B 1 98 ? -10.533 36.702 -73.738 1.00 32.48 ? 165 VAL B CG1 1 ATOM 3664 C CG2 . VAL B 1 98 ? -10.303 34.230 -74.030 1.00 33.72 ? 165 VAL B CG2 1 ATOM 3665 N N . PRO B 1 99 ? -13.092 37.535 -76.006 1.00 37.88 ? 166 PRO B N 1 ATOM 3666 C CA . PRO B 1 99 ? -13.350 38.782 -76.700 1.00 37.44 ? 166 PRO B CA 1 ATOM 3667 C C . PRO B 1 99 ? -12.335 39.877 -76.336 1.00 37.72 ? 166 PRO B C 1 ATOM 3668 O O . PRO B 1 99 ? -11.640 39.775 -75.326 1.00 41.56 ? 166 PRO B O 1 ATOM 3669 C CB . PRO B 1 99 ? -14.768 39.184 -76.236 1.00 37.07 ? 166 PRO B CB 1 ATOM 3670 C CG . PRO B 1 99 ? -15.203 38.184 -75.247 1.00 38.45 ? 166 PRO B CG 1 ATOM 3671 C CD . PRO B 1 99 ? -14.171 37.144 -75.068 1.00 37.65 ? 166 PRO B CD 1 ATOM 3672 N N . PHE B 1 100 ? -12.314 40.939 -77.130 1.00 35.33 ? 167 PHE B N 1 ATOM 3673 C CA . PHE B 1 100 ? -11.424 42.036 -76.920 1.00 37.86 ? 167 PHE B CA 1 ATOM 3674 C C . PHE B 1 100 ? -12.000 42.953 -75.859 1.00 36.11 ? 167 PHE B C 1 ATOM 3675 O O . PHE B 1 100 ? -12.603 43.976 -76.148 1.00 34.57 ? 167 PHE B O 1 ATOM 3676 C CB . PHE B 1 100 ? -11.172 42.796 -78.213 1.00 36.38 ? 167 PHE B CB 1 ATOM 3677 C CG . PHE B 1 100 ? -10.475 41.988 -79.285 1.00 37.35 ? 167 PHE B CG 1 ATOM 3678 C CD1 . PHE B 1 100 ? -9.214 41.456 -79.068 1.00 36.78 ? 167 PHE B CD1 1 ATOM 3679 C CD2 . PHE B 1 100 ? -11.063 41.820 -80.546 1.00 35.52 ? 167 PHE B CD2 1 ATOM 3680 C CE1 . PHE B 1 100 ? -8.555 40.753 -80.067 1.00 34.23 ? 167 PHE B CE1 1 ATOM 3681 C CE2 . PHE B 1 100 ? -10.419 41.131 -81.558 1.00 35.86 ? 167 PHE B CE2 1 ATOM 3682 C CZ . PHE B 1 100 ? -9.158 40.594 -81.317 1.00 40.36 ? 167 PHE B CZ 1 ATOM 3683 N N . HIS B 1 101 ? -11.790 42.573 -74.609 1.00 40.23 ? 168 HIS B N 1 ATOM 3684 C CA . HIS B 1 101 ? -12.241 43.359 -73.429 1.00 41.76 ? 168 HIS B CA 1 ATOM 3685 C C . HIS B 1 101 ? -11.082 44.243 -72.896 1.00 41.12 ? 168 HIS B C 1 ATOM 3686 O O . HIS B 1 101 ? -9.986 44.250 -73.498 1.00 43.68 ? 168 HIS B O 1 ATOM 3687 C CB . HIS B 1 101 ? -12.746 42.391 -72.359 1.00 44.58 ? 168 HIS B CB 1 ATOM 3688 C CG . HIS B 1 101 ? -11.712 41.422 -71.884 1.00 43.33 ? 168 HIS B CG 1 ATOM 3689 N ND1 . HIS B 1 101 ? -10.860 41.709 -70.861 1.00 51.78 ? 168 HIS B ND1 1 ATOM 3690 C CD2 . HIS B 1 101 ? -11.376 40.191 -72.299 1.00 45.90 ? 168 HIS B CD2 1 ATOM 3691 C CE1 . HIS B 1 101 ? -10.033 40.703 -70.661 1.00 47.35 ? 168 HIS B CE1 1 ATOM 3692 N NE2 . HIS B 1 101 ? -10.348 39.751 -71.501 1.00 38.23 ? 168 HIS B NE2 1 ATOM 3693 N N . LEU B 1 102 ? -11.284 44.952 -71.784 1.00 37.32 ? 169 LEU B N 1 ATOM 3694 C CA . LEU B 1 102 ? -10.251 45.862 -71.247 1.00 41.19 ? 169 LEU B CA 1 ATOM 3695 C C . LEU B 1 102 ? -8.938 45.248 -70.749 1.00 36.78 ? 169 LEU B C 1 ATOM 3696 O O . LEU B 1 102 ? -7.954 45.956 -70.611 1.00 43.21 ? 169 LEU B O 1 ATOM 3697 C CB . LEU B 1 102 ? -10.790 46.739 -70.128 1.00 45.49 ? 169 LEU B CB 1 ATOM 3698 C CG . LEU B 1 102 ? -11.680 47.885 -70.603 1.00 55.62 ? 169 LEU B CG 1 ATOM 3699 C CD1 . LEU B 1 102 ? -12.264 48.631 -69.417 1.00 54.51 ? 169 LEU B CD1 1 ATOM 3700 C CD2 . LEU B 1 102 ? -10.934 48.849 -71.517 1.00 53.69 ? 169 LEU B CD2 1 ATOM 3701 N N . GLY B 1 103 ? -8.898 43.966 -70.468 1.00 33.91 ? 170 GLY B N 1 ATOM 3702 C CA . GLY B 1 103 ? -7.624 43.302 -70.158 1.00 34.22 ? 170 GLY B CA 1 ATOM 3703 C C . GLY B 1 103 ? -6.838 42.817 -71.377 1.00 35.08 ? 170 GLY B C 1 ATOM 3704 O O . GLY B 1 103 ? -5.824 42.168 -71.228 1.00 38.68 ? 170 GLY B O 1 ATOM 3705 N N . THR B 1 104 ? -7.282 43.148 -72.587 1.00 34.08 ? 171 THR B N 1 ATOM 3706 C CA . THR B 1 104 ? -6.602 42.718 -73.805 1.00 33.72 ? 171 THR B CA 1 ATOM 3707 C C . THR B 1 104 ? -5.268 43.394 -73.955 1.00 32.43 ? 171 THR B C 1 ATOM 3708 O O . THR B 1 104 ? -5.127 44.599 -73.751 1.00 37.70 ? 171 THR B O 1 ATOM 3709 C CB . THR B 1 104 ? -7.450 43.022 -75.061 1.00 34.43 ? 171 THR B CB 1 ATOM 3710 O OG1 . THR B 1 104 ? -8.712 42.369 -74.948 1.00 38.08 ? 171 THR B OG1 1 ATOM 3711 C CG2 . THR B 1 104 ? -6.773 42.537 -76.306 1.00 35.74 ? 171 THR B CG2 1 ATOM 3712 N N . LYS B 1 105 ? -4.285 42.601 -74.300 1.00 33.72 ? 172 LYS B N 1 ATOM 3713 C CA . LYS B 1 105 ? -2.956 43.130 -74.587 1.00 37.88 ? 172 LYS B CA 1 ATOM 3714 C C . LYS B 1 105 ? -2.869 43.868 -75.934 1.00 36.06 ? 172 LYS B C 1 ATOM 3715 O O . LYS B 1 105 ? -3.273 43.345 -77.003 1.00 36.79 ? 172 LYS B O 1 ATOM 3716 C CB . LYS B 1 105 ? -1.934 42.000 -74.566 1.00 40.22 ? 172 LYS B CB 1 ATOM 3717 C CG . LYS B 1 105 ? -0.522 42.507 -74.740 1.00 44.22 ? 172 LYS B CG 1 ATOM 3718 C CD . LYS B 1 105 ? 0.477 41.434 -74.438 1.00 52.53 ? 172 LYS B CD 1 ATOM 3719 C CE . LYS B 1 105 ? 1.901 42.006 -74.405 1.00 65.28 ? 172 LYS B CE 1 ATOM 3720 N NZ . LYS B 1 105 ? 2.580 41.519 -73.162 1.00 75.39 ? 172 LYS B NZ 1 ATOM 3721 N N . GLN B 1 106 ? -2.337 45.086 -75.871 1.00 37.79 ? 173 GLN B N 1 ATOM 3722 C CA . GLN B 1 106 ? -1.963 45.840 -77.057 1.00 36.11 ? 173 GLN B CA 1 ATOM 3723 C C . GLN B 1 106 ? -0.506 45.566 -77.327 1.00 35.19 ? 173 GLN B C 1 ATOM 3724 O O . GLN B 1 106 ? 0.384 46.025 -76.668 1.00 39.55 ? 173 GLN B O 1 ATOM 3725 C CB . GLN B 1 106 ? -2.173 47.316 -76.873 1.00 36.38 ? 173 GLN B CB 1 ATOM 3726 C CG . GLN B 1 106 ? -3.603 47.672 -76.571 1.00 37.63 ? 173 GLN B CG 1 ATOM 3727 C CD . GLN B 1 106 ? -3.773 49.095 -76.153 1.00 37.92 ? 173 GLN B CD 1 ATOM 3728 O OE1 . GLN B 1 106 ? -3.911 49.986 -77.002 1.00 37.89 ? 173 GLN B OE1 1 ATOM 3729 N NE2 . GLN B 1 106 ? -3.728 49.339 -74.846 1.00 41.02 ? 173 GLN B NE2 1 ATOM 3730 N N . VAL B 1 107 ? -0.281 44.870 -78.389 1.00 35.78 ? 174 VAL B N 1 ATOM 3731 C CA . VAL B 1 107 ? 1.024 44.263 -78.651 1.00 43.83 ? 174 VAL B CA 1 ATOM 3732 C C . VAL B 1 107 ? 1.989 45.221 -79.363 1.00 37.27 ? 174 VAL B C 1 ATOM 3733 O O . VAL B 1 107 ? 3.185 45.067 -79.251 1.00 43.05 ? 174 VAL B O 1 ATOM 3734 C CB . VAL B 1 107 ? 0.745 42.958 -79.441 1.00 47.90 ? 174 VAL B CB 1 ATOM 3735 C CG1 . VAL B 1 107 ? 1.677 42.755 -80.580 1.00 60.45 ? 174 VAL B CG1 1 ATOM 3736 C CG2 . VAL B 1 107 ? 0.746 41.759 -78.513 1.00 50.22 ? 174 VAL B CG2 1 ATOM 3737 N N . CYS B 1 108 ? 1.467 46.187 -80.114 1.00 33.53 ? 175 CYS B N 1 ATOM 3738 C CA . CYS B 1 108 ? 2.303 47.181 -80.770 1.00 35.92 ? 175 CYS B CA 1 ATOM 3739 C C . CYS B 1 108 ? 1.364 48.267 -81.323 1.00 34.43 ? 175 CYS B C 1 ATOM 3740 O O . CYS B 1 108 ? 0.186 48.125 -81.266 1.00 36.64 ? 175 CYS B O 1 ATOM 3741 C CB . CYS B 1 108 ? 3.166 46.544 -81.859 1.00 37.09 ? 175 CYS B CB 1 ATOM 3742 S SG . CYS B 1 108 ? 2.055 45.922 -83.111 1.00 47.39 ? 175 CYS B SG 1 ATOM 3743 N N . ILE B 1 109 ? 1.916 49.372 -81.808 1.00 34.80 ? 176 ILE B N 1 ATOM 3744 C CA . ILE B 1 109 ? 1.170 50.461 -82.372 1.00 33.07 ? 176 ILE B CA 1 ATOM 3745 C C . ILE B 1 109 ? 1.024 50.174 -83.867 1.00 35.08 ? 176 ILE B C 1 ATOM 3746 O O . ILE B 1 109 ? 2.012 49.941 -84.517 1.00 38.81 ? 176 ILE B O 1 ATOM 3747 C CB . ILE B 1 109 ? 1.949 51.796 -82.224 1.00 35.64 ? 176 ILE B CB 1 ATOM 3748 C CG1 . ILE B 1 109 ? 2.371 51.985 -80.750 1.00 35.85 ? 176 ILE B CG1 1 ATOM 3749 C CG2 . ILE B 1 109 ? 1.089 52.974 -82.693 1.00 36.08 ? 176 ILE B CG2 1 ATOM 3750 C CD1 . ILE B 1 109 ? 3.178 53.233 -80.495 1.00 36.90 ? 176 ILE B CD1 1 ATOM 3751 N N . ALA B 1 110 ? -0.199 50.222 -84.414 1.00 36.66 ? 177 ALA B N 1 ATOM 3752 C CA . ALA B 1 110 ? -0.399 49.776 -85.803 1.00 37.40 ? 177 ALA B CA 1 ATOM 3753 C C . ALA B 1 110 ? -1.722 50.187 -86.349 1.00 34.43 ? 177 ALA B C 1 ATOM 3754 O O . ALA B 1 110 ? -2.741 49.987 -85.709 1.00 35.51 ? 177 ALA B O 1 ATOM 3755 C CB . ALA B 1 110 ? -0.266 48.261 -85.918 1.00 37.07 ? 177 ALA B CB 1 ATOM 3756 N N . TRP B 1 111 ? -1.692 50.759 -87.537 1.00 31.14 ? 178 TRP B N 1 ATOM 3757 C CA . TRP B 1 111 ? -2.876 50.840 -88.371 1.00 33.55 ? 178 TRP B CA 1 ATOM 3758 C C . TRP B 1 111 ? -2.814 49.897 -89.580 1.00 33.40 ? 178 TRP B C 1 ATOM 3759 O O . TRP B 1 111 ? -3.635 49.949 -90.397 1.00 33.09 ? 178 TRP B O 1 ATOM 3760 C CB . TRP B 1 111 ? -3.219 52.266 -88.753 1.00 33.23 ? 178 TRP B CB 1 ATOM 3761 C CG . TRP B 1 111 ? -2.149 53.186 -89.234 1.00 35.42 ? 178 TRP B CG 1 ATOM 3762 C CD1 . TRP B 1 111 ? -1.759 54.351 -88.656 1.00 33.99 ? 178 TRP B CD1 1 ATOM 3763 C CD2 . TRP B 1 111 ? -1.444 53.106 -90.471 1.00 38.55 ? 178 TRP B CD2 1 ATOM 3764 N NE1 . TRP B 1 111 ? -0.795 54.972 -89.412 1.00 33.63 ? 178 TRP B NE1 1 ATOM 3765 C CE2 . TRP B 1 111 ? -0.595 54.250 -90.547 1.00 36.27 ? 178 TRP B CE2 1 ATOM 3766 C CE3 . TRP B 1 111 ? -1.464 52.208 -91.550 1.00 40.66 ? 178 TRP B CE3 1 ATOM 3767 C CZ2 . TRP B 1 111 ? 0.259 54.495 -91.636 1.00 34.04 ? 178 TRP B CZ2 1 ATOM 3768 C CZ3 . TRP B 1 111 ? -0.605 52.473 -92.655 1.00 37.32 ? 178 TRP B CZ3 1 ATOM 3769 C CH2 . TRP B 1 111 ? 0.217 53.620 -92.677 1.00 37.22 ? 178 TRP B CH2 1 ATOM 3770 N N . SER B 1 112 ? -1.798 49.053 -89.675 1.00 38.22 ? 179 SER B N 1 ATOM 3771 C CA . SER B 1 112 ? -1.771 47.897 -90.598 1.00 33.46 ? 179 SER B CA 1 ATOM 3772 C C . SER B 1 112 ? -0.838 46.872 -89.964 1.00 32.26 ? 179 SER B C 1 ATOM 3773 O O . SER B 1 112 ? 0.150 47.276 -89.351 1.00 33.22 ? 179 SER B O 1 ATOM 3774 C CB . SER B 1 112 ? -1.255 48.348 -91.990 1.00 33.55 ? 179 SER B CB 1 ATOM 3775 O OG . SER B 1 112 ? -1.211 47.258 -92.882 1.00 31.03 ? 179 SER B OG 1 ATOM 3776 N N . SER B 1 113 ? -1.114 45.569 -90.088 1.00 32.87 ? 180 SER B N 1 ATOM 3777 C CA . SER B 1 113 ? -0.252 44.575 -89.451 1.00 31.21 ? 180 SER B CA 1 ATOM 3778 C C . SER B 1 113 ? -0.315 43.214 -90.094 1.00 31.28 ? 180 SER B C 1 ATOM 3779 O O . SER B 1 113 ? -1.224 42.904 -90.858 1.00 36.99 ? 180 SER B O 1 ATOM 3780 C CB . SER B 1 113 ? -0.656 44.425 -87.958 1.00 36.14 ? 180 SER B CB 1 ATOM 3781 O OG . SER B 1 113 ? -1.860 43.646 -87.812 1.00 34.54 ? 180 SER B OG 1 ATOM 3782 N N . SER B 1 114 ? 0.568 42.371 -89.600 1.00 29.53 ? 181 SER B N 1 ATOM 3783 C CA . SER B 1 114 ? 0.611 40.935 -89.853 1.00 35.41 ? 181 SER B CA 1 ATOM 3784 C C . SER B 1 114 ? 1.367 40.229 -88.701 1.00 34.65 ? 181 SER B C 1 ATOM 3785 O O . SER B 1 114 ? 2.219 40.837 -88.090 1.00 37.68 ? 181 SER B O 1 ATOM 3786 C CB . SER B 1 114 ? 1.343 40.667 -91.222 1.00 38.43 ? 181 SER B CB 1 ATOM 3787 O OG . SER B 1 114 ? 1.530 39.288 -91.472 1.00 40.35 ? 181 SER B OG 1 ATOM 3788 N N . SER B 1 115 ? 1.024 38.994 -88.365 1.00 33.80 ? 182 SER B N 1 ATOM 3789 C CA . SER B 1 115 ? 1.682 38.299 -87.273 1.00 31.58 ? 182 SER B CA 1 ATOM 3790 C C . SER B 1 115 ? 1.877 36.871 -87.602 1.00 32.22 ? 182 SER B C 1 ATOM 3791 O O . SER B 1 115 ? 1.110 36.315 -88.361 1.00 35.03 ? 182 SER B O 1 ATOM 3792 C CB . SER B 1 115 ? 0.880 38.390 -85.962 1.00 36.77 ? 182 SER B CB 1 ATOM 3793 O OG . SER B 1 115 ? 0.652 39.729 -85.553 1.00 35.67 ? 182 SER B OG 1 ATOM 3794 N N . CYS B 1 116 ? 2.888 36.238 -87.020 1.00 34.20 ? 183 CYS B N 1 ATOM 3795 C CA . CYS B 1 116 ? 3.049 34.792 -87.201 1.00 36.38 ? 183 CYS B CA 1 ATOM 3796 C C . CYS B 1 116 ? 4.024 34.271 -86.183 1.00 35.44 ? 183 CYS B C 1 ATOM 3797 O O . CYS B 1 116 ? 4.793 35.031 -85.620 1.00 37.03 ? 183 CYS B O 1 ATOM 3798 C CB . CYS B 1 116 ? 3.545 34.433 -88.629 1.00 38.80 ? 183 CYS B CB 1 ATOM 3799 S SG . CYS B 1 116 ? 4.895 35.443 -89.232 1.00 42.53 ? 183 CYS B SG 1 ATOM 3800 N N . HIS B 1 117 ? 4.004 32.958 -86.002 1.00 33.41 ? 184 HIS B N 1 ATOM 3801 C CA . HIS B 1 117 ? 4.832 32.283 -85.035 1.00 34.52 ? 184 HIS B CA 1 ATOM 3802 C C . HIS B 1 117 ? 5.756 31.340 -85.804 1.00 35.11 ? 184 HIS B C 1 ATOM 3803 O O . HIS B 1 117 ? 5.286 30.592 -86.642 1.00 32.82 ? 184 HIS B O 1 ATOM 3804 C CB . HIS B 1 117 ? 3.937 31.536 -84.059 1.00 35.62 ? 184 HIS B CB 1 ATOM 3805 C CG . HIS B 1 117 ? 4.619 31.133 -82.807 1.00 38.07 ? 184 HIS B CG 1 ATOM 3806 N ND1 . HIS B 1 117 ? 5.475 30.063 -82.748 1.00 40.27 ? 184 HIS B ND1 1 ATOM 3807 C CD2 . HIS B 1 117 ? 4.586 31.653 -81.562 1.00 38.80 ? 184 HIS B CD2 1 ATOM 3808 C CE1 . HIS B 1 117 ? 5.917 29.909 -81.514 1.00 38.74 ? 184 HIS B CE1 1 ATOM 3809 N NE2 . HIS B 1 117 ? 5.419 30.881 -80.786 1.00 40.20 ? 184 HIS B NE2 1 ATOM 3810 N N . ASP B 1 118 ? 7.053 31.390 -85.525 1.00 35.63 ? 185 ASP B N 1 ATOM 3811 C CA . ASP B 1 118 ? 8.030 30.565 -86.267 1.00 38.23 ? 185 ASP B CA 1 ATOM 3812 C C . ASP B 1 118 ? 8.340 29.187 -85.617 1.00 39.70 ? 185 ASP B C 1 ATOM 3813 O O . ASP B 1 118 ? 9.240 28.480 -86.045 1.00 38.45 ? 185 ASP B O 1 ATOM 3814 C CB . ASP B 1 118 ? 9.340 31.337 -86.482 1.00 37.52 ? 185 ASP B CB 1 ATOM 3815 C CG . ASP B 1 118 ? 10.103 31.602 -85.192 1.00 38.65 ? 185 ASP B CG 1 ATOM 3816 O OD1 . ASP B 1 118 ? 9.666 31.110 -84.115 1.00 39.45 ? 185 ASP B OD1 1 ATOM 3817 O OD2 . ASP B 1 118 ? 11.147 32.299 -85.277 1.00 36.99 ? 185 ASP B OD2 1 ATOM 3818 N N . GLY B 1 119 ? 7.586 28.846 -84.586 1.00 36.88 ? 186 GLY B N 1 ATOM 3819 C CA . GLY B 1 119 ? 7.822 27.682 -83.772 1.00 37.36 ? 186 GLY B CA 1 ATOM 3820 C C . GLY B 1 119 ? 8.491 27.989 -82.439 1.00 41.73 ? 186 GLY B C 1 ATOM 3821 O O . GLY B 1 119 ? 8.399 27.203 -81.499 1.00 41.45 ? 186 GLY B O 1 ATOM 3822 N N . LYS B 1 120 ? 9.219 29.093 -82.362 1.00 42.32 ? 187 LYS B N 1 ATOM 3823 C CA . LYS B 1 120 ? 9.838 29.541 -81.076 1.00 42.74 ? 187 LYS B CA 1 ATOM 3824 C C . LYS B 1 120 ? 9.173 30.768 -80.447 1.00 41.26 ? 187 LYS B C 1 ATOM 3825 O O . LYS B 1 120 ? 9.145 30.907 -79.252 1.00 42.47 ? 187 LYS B O 1 ATOM 3826 C CB . LYS B 1 120 ? 11.300 29.908 -81.312 1.00 43.69 ? 187 LYS B CB 1 ATOM 3827 C CG . LYS B 1 120 ? 12.125 28.736 -81.778 1.00 51.06 ? 187 LYS B CG 1 ATOM 3828 C CD . LYS B 1 120 ? 13.629 28.954 -81.740 1.00 56.96 ? 187 LYS B CD 1 ATOM 3829 C CE . LYS B 1 120 ? 14.322 27.595 -81.864 1.00 61.04 ? 187 LYS B CE 1 ATOM 3830 N NZ . LYS B 1 120 ? 15.365 27.610 -82.901 1.00 69.66 ? 187 LYS B NZ 1 ATOM 3831 N N . ALA B 1 121 ? 8.741 31.696 -81.285 1.00 44.06 ? 188 ALA B N 1 ATOM 3832 C CA . ALA B 1 121 ? 8.271 32.983 -80.852 1.00 41.24 ? 188 ALA B CA 1 ATOM 3833 C C . ALA B 1 121 ? 7.399 33.668 -81.889 1.00 39.07 ? 188 ALA B C 1 ATOM 3834 O O . ALA B 1 121 ? 7.401 33.317 -83.056 1.00 41.63 ? 188 ALA B O 1 ATOM 3835 C CB . ALA B 1 121 ? 9.450 33.869 -80.495 1.00 42.35 ? 188 ALA B CB 1 ATOM 3836 N N . TRP B 1 122 ? 6.690 34.672 -81.419 1.00 36.65 ? 189 TRP B N 1 ATOM 3837 C CA . TRP B 1 122 ? 5.843 35.532 -82.219 1.00 38.31 ? 189 TRP B CA 1 ATOM 3838 C C . TRP B 1 122 ? 6.609 36.636 -82.915 1.00 36.84 ? 189 TRP B C 1 ATOM 3839 O O . TRP B 1 122 ? 7.488 37.249 -82.317 1.00 34.73 ? 189 TRP B O 1 ATOM 3840 C CB . TRP B 1 122 ? 4.760 36.179 -81.341 1.00 36.10 ? 189 TRP B CB 1 ATOM 3841 C CG . TRP B 1 122 ? 3.683 35.230 -81.041 1.00 37.91 ? 189 TRP B CG 1 ATOM 3842 C CD1 . TRP B 1 122 ? 3.447 34.567 -79.863 1.00 32.07 ? 189 TRP B CD1 1 ATOM 3843 C CD2 . TRP B 1 122 ? 2.642 34.817 -81.967 1.00 35.01 ? 189 TRP B CD2 1 ATOM 3844 N NE1 . TRP B 1 122 ? 2.357 33.736 -80.025 1.00 36.16 ? 189 TRP B NE1 1 ATOM 3845 C CE2 . TRP B 1 122 ? 1.824 33.898 -81.283 1.00 33.36 ? 189 TRP B CE2 1 ATOM 3846 C CE3 . TRP B 1 122 ? 2.375 35.104 -83.304 1.00 36.15 ? 189 TRP B CE3 1 ATOM 3847 C CZ2 . TRP B 1 122 ? 0.757 33.256 -81.894 1.00 34.27 ? 189 TRP B CZ2 1 ATOM 3848 C CZ3 . TRP B 1 122 ? 1.293 34.456 -83.939 1.00 36.06 ? 189 TRP B CZ3 1 ATOM 3849 C CH2 . TRP B 1 122 ? 0.508 33.539 -83.235 1.00 34.19 ? 189 TRP B CH2 1 ATOM 3850 N N . LEU B 1 123 ? 6.277 36.838 -84.184 1.00 35.83 ? 190 LEU B N 1 ATOM 3851 C CA . LEU B 1 123 ? 6.669 38.003 -84.934 1.00 35.82 ? 190 LEU B CA 1 ATOM 3852 C C . LEU B 1 123 ? 5.423 38.843 -85.205 1.00 38.61 ? 190 LEU B C 1 ATOM 3853 O O . LEU B 1 123 ? 4.410 38.301 -85.611 1.00 39.83 ? 190 LEU B O 1 ATOM 3854 C CB . LEU B 1 123 ? 7.290 37.591 -86.260 1.00 38.21 ? 190 LEU B CB 1 ATOM 3855 C CG . LEU B 1 123 ? 7.615 38.765 -87.206 1.00 41.38 ? 190 LEU B CG 1 ATOM 3856 C CD1 . LEU B 1 123 ? 8.793 39.614 -86.715 1.00 40.49 ? 190 LEU B CD1 1 ATOM 3857 C CD2 . LEU B 1 123 ? 7.916 38.222 -88.606 1.00 44.31 ? 190 LEU B CD2 1 ATOM 3858 N N . HIS B 1 124 ? 5.509 40.150 -84.971 1.00 33.42 ? 191 HIS B N 1 ATOM 3859 C CA . HIS B 1 124 ? 4.506 41.092 -85.378 1.00 33.05 ? 191 HIS B CA 1 ATOM 3860 C C . HIS B 1 124 ? 5.120 42.141 -86.278 1.00 34.50 ? 191 HIS B C 1 ATOM 3861 O O . HIS B 1 124 ? 6.208 42.676 -85.981 1.00 34.85 ? 191 HIS B O 1 ATOM 3862 C CB . HIS B 1 124 ? 3.881 41.838 -84.175 1.00 34.82 ? 191 HIS B CB 1 ATOM 3863 C CG . HIS B 1 124 ? 3.379 40.935 -83.107 1.00 34.46 ? 191 HIS B CG 1 ATOM 3864 N ND1 . HIS B 1 124 ? 2.311 40.087 -83.301 1.00 32.87 ? 191 HIS B ND1 1 ATOM 3865 C CD2 . HIS B 1 124 ? 3.867 40.658 -81.880 1.00 37.37 ? 191 HIS B CD2 1 ATOM 3866 C CE1 . HIS B 1 124 ? 2.144 39.353 -82.218 1.00 35.70 ? 191 HIS B CE1 1 ATOM 3867 N NE2 . HIS B 1 124 ? 3.067 39.693 -81.332 1.00 37.80 ? 191 HIS B NE2 1 ATOM 3868 N N . VAL B 1 125 ? 4.428 42.423 -87.368 1.00 30.44 ? 192 VAL B N 1 ATOM 3869 C CA . VAL B 1 125 ? 4.752 43.520 -88.239 1.00 36.36 ? 192 VAL B CA 1 ATOM 3870 C C . VAL B 1 125 ? 3.694 44.613 -88.084 1.00 38.05 ? 192 VAL B C 1 ATOM 3871 O O . VAL B 1 125 ? 2.509 44.384 -88.361 1.00 44.90 ? 192 VAL B O 1 ATOM 3872 C CB . VAL B 1 125 ? 4.745 43.068 -89.683 1.00 38.58 ? 192 VAL B CB 1 ATOM 3873 C CG1 . VAL B 1 125 ? 5.084 44.219 -90.622 1.00 39.38 ? 192 VAL B CG1 1 ATOM 3874 C CG2 . VAL B 1 125 ? 5.714 41.922 -89.853 1.00 38.42 ? 192 VAL B CG2 1 ATOM 3875 N N . CYS B 1 126 ? 4.138 45.806 -87.720 1.00 36.54 ? 193 CYS B N 1 ATOM 3876 C CA . CYS B 1 126 ? 3.248 46.868 -87.220 1.00 42.12 ? 193 CYS B CA 1 ATOM 3877 C C . CYS B 1 126 ? 3.560 48.181 -87.882 1.00 36.72 ? 193 CYS B C 1 ATOM 3878 O O . CYS B 1 126 ? 4.664 48.672 -87.742 1.00 41.88 ? 193 CYS B O 1 ATOM 3879 C CB . CYS B 1 126 ? 3.398 47.027 -85.684 1.00 39.49 ? 193 CYS B CB 1 ATOM 3880 S SG . CYS B 1 126 ? 3.085 45.500 -84.785 1.00 47.76 ? 193 CYS B SG 1 ATOM 3881 N N . VAL B 1 127 ? 2.625 48.705 -88.665 1.00 36.55 ? 194 VAL B N 1 ATOM 3882 C CA . VAL B 1 127 ? 2.874 49.937 -89.430 1.00 37.58 ? 194 VAL B CA 1 ATOM 3883 C C . VAL B 1 127 ? 2.040 51.022 -88.815 1.00 36.50 ? 194 VAL B C 1 ATOM 3884 O O . VAL B 1 127 ? 0.824 50.822 -88.612 1.00 33.99 ? 194 VAL B O 1 ATOM 3885 C CB . VAL B 1 127 ? 2.461 49.819 -90.896 1.00 35.74 ? 194 VAL B CB 1 ATOM 3886 C CG1 . VAL B 1 127 ? 2.910 51.036 -91.660 1.00 36.23 ? 194 VAL B CG1 1 ATOM 3887 C CG2 . VAL B 1 127 ? 3.001 48.566 -91.506 1.00 34.02 ? 194 VAL B CG2 1 ATOM 3888 N N . THR B 1 128 ? 2.689 52.155 -88.549 1.00 34.15 ? 195 THR B N 1 ATOM 3889 C CA . THR B 1 128 ? 2.019 53.330 -88.009 1.00 36.27 ? 195 THR B CA 1 ATOM 3890 C C . THR B 1 128 ? 2.737 54.605 -88.465 1.00 34.18 ? 195 THR B C 1 ATOM 3891 O O . THR B 1 128 ? 3.757 54.539 -89.136 1.00 35.78 ? 195 THR B O 1 ATOM 3892 C CB . THR B 1 128 ? 1.896 53.272 -86.454 1.00 38.12 ? 195 THR B CB 1 ATOM 3893 O OG1 . THR B 1 128 ? 1.120 54.383 -85.962 1.00 36.17 ? 195 THR B OG1 1 ATOM 3894 C CG2 . THR B 1 128 ? 3.218 53.348 -85.835 1.00 36.23 ? 195 THR B CG2 1 ATOM 3895 N N . GLY B 1 129 ? 2.194 55.769 -88.101 1.00 32.86 ? 196 GLY B N 1 ATOM 3896 C CA . GLY B 1 129 ? 2.758 57.086 -88.444 1.00 35.88 ? 196 GLY B CA 1 ATOM 3897 C C . GLY B 1 129 ? 2.062 57.839 -89.576 1.00 35.98 ? 196 GLY B C 1 ATOM 3898 O O . GLY B 1 129 ? 0.952 57.529 -89.929 1.00 35.23 ? 196 GLY B O 1 ATOM 3899 N N . ASP B 1 130 ? 2.748 58.832 -90.140 1.00 38.13 ? 197 ASP B N 1 ATOM 3900 C CA . ASP B 1 130 ? 2.167 59.641 -91.246 1.00 37.93 ? 197 ASP B CA 1 ATOM 3901 C C . ASP B 1 130 ? 1.870 58.801 -92.467 1.00 38.32 ? 197 ASP B C 1 ATOM 3902 O O . ASP B 1 130 ? 2.657 57.919 -92.802 1.00 41.59 ? 197 ASP B O 1 ATOM 3903 C CB . ASP B 1 130 ? 3.150 60.738 -91.674 1.00 45.46 ? 197 ASP B CB 1 ATOM 3904 C CG . ASP B 1 130 ? 3.435 61.786 -90.555 1.00 50.85 ? 197 ASP B CG 1 ATOM 3905 O OD1 . ASP B 1 130 ? 2.553 62.012 -89.707 1.00 58.05 ? 197 ASP B OD1 1 ATOM 3906 O OD2 . ASP B 1 130 ? 4.561 62.363 -90.541 1.00 63.47 ? 197 ASP B OD2 1 ATOM 3907 N N . ASP B 1 131 ? 0.788 59.106 -93.155 1.00 35.73 ? 198 ASP B N 1 ATOM 3908 C CA . ASP B 1 131 ? 0.421 58.486 -94.436 1.00 38.78 ? 198 ASP B CA 1 ATOM 3909 C C . ASP B 1 131 ? 1.547 58.487 -95.474 1.00 44.68 ? 198 ASP B C 1 ATOM 3910 O O . ASP B 1 131 ? 1.853 57.453 -96.104 1.00 47.87 ? 198 ASP B O 1 ATOM 3911 C CB . ASP B 1 131 ? -0.755 59.249 -95.045 1.00 44.17 ? 198 ASP B CB 1 ATOM 3912 C CG . ASP B 1 131 ? -2.110 58.879 -94.418 1.00 50.14 ? 198 ASP B CG 1 ATOM 3913 O OD1 . ASP B 1 131 ? -2.155 58.183 -93.405 1.00 55.73 ? 198 ASP B OD1 1 ATOM 3914 O OD2 . ASP B 1 131 ? -3.152 59.269 -94.957 1.00 59.41 ? 198 ASP B OD2 1 ATOM 3915 N N . ARG B 1 132 ? 2.213 59.619 -95.603 1.00 45.27 ? 199 ARG B N 1 ATOM 3916 C CA . ARG B 1 132 ? 3.287 59.745 -96.554 1.00 53.61 ? 199 ARG B CA 1 ATOM 3917 C C . ARG B 1 132 ? 4.664 59.389 -96.020 1.00 52.44 ? 199 ARG B C 1 ATOM 3918 O O . ARG B 1 132 ? 5.642 59.509 -96.757 1.00 46.15 ? 199 ARG B O 1 ATOM 3919 C CB . ARG B 1 132 ? 3.353 61.168 -97.122 1.00 63.32 ? 199 ARG B CB 1 ATOM 3920 C CG . ARG B 1 132 ? 2.130 61.560 -97.933 1.00 76.26 ? 199 ARG B CG 1 ATOM 3921 C CD . ARG B 1 132 ? 2.017 63.017 -98.371 1.00 89.60 ? 199 ARG B CD 1 ATOM 3922 N NE . ARG B 1 132 ? 1.135 63.089 -99.549 1.00 108.42 ? 199 ARG B NE 1 ATOM 3923 C CZ . ARG B 1 132 ? -0.176 62.818 -99.549 1.00 113.92 ? 199 ARG B CZ 1 ATOM 3924 N NH1 . ARG B 1 132 ? -0.815 62.459 -98.428 1.00 107.83 ? 199 ARG B NH1 1 ATOM 3925 N NH2 . ARG B 1 132 ? -0.861 62.917 -100.682 1.00 111.70 ? 199 ARG B NH2 1 ATOM 3926 N N . ASN B 1 133 ? 4.781 58.962 -94.764 1.00 45.99 ? 200 ASN B N 1 ATOM 3927 C CA . ASN B 1 133 ? 6.119 58.639 -94.235 1.00 42.85 ? 200 ASN B CA 1 ATOM 3928 C C . ASN B 1 133 ? 6.012 57.669 -93.048 1.00 42.43 ? 200 ASN B C 1 ATOM 3929 O O . ASN B 1 133 ? 6.536 57.940 -91.962 1.00 36.02 ? 200 ASN B O 1 ATOM 3930 C CB . ASN B 1 133 ? 6.893 59.911 -93.862 1.00 38.28 ? 200 ASN B CB 1 ATOM 3931 C CG . ASN B 1 133 ? 8.405 59.736 -93.949 1.00 44.57 ? 200 ASN B CG 1 ATOM 3932 O OD1 . ASN B 1 133 ? 8.879 58.781 -94.535 1.00 41.80 ? 200 ASN B OD1 1 ATOM 3933 N ND2 . ASN B 1 133 ? 9.185 60.677 -93.349 1.00 45.23 ? 200 ASN B ND2 1 ATOM 3934 N N . ALA B 1 134 ? 5.388 56.517 -93.282 1.00 42.58 ? 201 ALA B N 1 ATOM 3935 C CA . ALA B 1 134 ? 5.117 55.555 -92.194 1.00 44.93 ? 201 ALA B CA 1 ATOM 3936 C C . ALA B 1 134 ? 6.332 54.756 -91.775 1.00 45.17 ? 201 ALA B C 1 ATOM 3937 O O . ALA B 1 134 ? 7.328 54.737 -92.471 1.00 40.62 ? 201 ALA B O 1 ATOM 3938 C CB . ALA B 1 134 ? 4.020 54.603 -92.567 1.00 41.13 ? 201 ALA B CB 1 ATOM 3939 N N . THR B 1 135 ? 6.213 54.112 -90.611 1.00 40.70 ? 202 THR B N 1 ATOM 3940 C CA . THR B 1 135 ? 7.231 53.227 -90.102 1.00 39.36 ? 202 THR B CA 1 ATOM 3941 C C . THR B 1 135 ? 6.618 51.869 -89.888 1.00 37.36 ? 202 THR B C 1 ATOM 3942 O O . THR B 1 135 ? 5.597 51.768 -89.249 1.00 37.96 ? 202 THR B O 1 ATOM 3943 C CB . THR B 1 135 ? 7.763 53.693 -88.722 1.00 37.74 ? 202 THR B CB 1 ATOM 3944 O OG1 . THR B 1 135 ? 8.327 54.989 -88.845 1.00 42.34 ? 202 THR B OG1 1 ATOM 3945 C CG2 . THR B 1 135 ? 8.833 52.769 -88.199 1.00 40.26 ? 202 THR B CG2 1 ATOM 3946 N N . ALA B 1 136 ? 7.314 50.822 -90.326 1.00 34.11 ? 203 ALA B N 1 ATOM 3947 C CA . ALA B 1 136 ? 6.959 49.484 -89.979 1.00 34.64 ? 203 ALA B CA 1 ATOM 3948 C C . ALA B 1 136 ? 7.959 48.961 -88.947 1.00 36.90 ? 203 ALA B C 1 ATOM 3949 O O . ALA B 1 136 ? 9.156 48.855 -89.224 1.00 38.24 ? 203 ALA B O 1 ATOM 3950 C CB . ALA B 1 136 ? 6.954 48.605 -91.206 1.00 36.11 ? 203 ALA B CB 1 ATOM 3951 N N . SER B 1 137 ? 7.435 48.557 -87.798 1.00 36.73 ? 204 SER B N 1 ATOM 3952 C CA . SER B 1 137 ? 8.235 47.920 -86.730 1.00 38.63 ? 204 SER B CA 1 ATOM 3953 C C . SER B 1 137 ? 8.082 46.406 -86.768 1.00 38.02 ? 204 SER B C 1 ATOM 3954 O O . SER B 1 137 ? 6.981 45.890 -87.017 1.00 38.41 ? 204 SER B O 1 ATOM 3955 C CB . SER B 1 137 ? 7.796 48.391 -85.319 1.00 35.55 ? 204 SER B CB 1 ATOM 3956 O OG . SER B 1 137 ? 8.100 49.748 -85.094 1.00 41.75 ? 204 SER B OG 1 ATOM 3957 N N . PHE B 1 138 ? 9.169 45.718 -86.444 1.00 35.83 ? 205 PHE B N 1 ATOM 3958 C CA . PHE B 1 138 ? 9.222 44.280 -86.384 1.00 34.02 ? 205 PHE B CA 1 ATOM 3959 C C . PHE B 1 138 ? 9.549 43.869 -84.972 1.00 35.98 ? 205 PHE B C 1 ATOM 3960 O O . PHE B 1 138 ? 10.634 44.162 -84.426 1.00 37.72 ? 205 PHE B O 1 ATOM 3961 C CB . PHE B 1 138 ? 10.250 43.730 -87.389 1.00 34.73 ? 205 PHE B CB 1 ATOM 3962 C CG . PHE B 1 138 ? 9.933 44.107 -88.788 1.00 37.44 ? 205 PHE B CG 1 ATOM 3963 C CD1 . PHE B 1 138 ? 10.208 45.354 -89.245 1.00 40.10 ? 205 PHE B CD1 1 ATOM 3964 C CD2 . PHE B 1 138 ? 9.280 43.245 -89.622 1.00 39.88 ? 205 PHE B CD2 1 ATOM 3965 C CE1 . PHE B 1 138 ? 9.853 45.741 -90.526 1.00 42.57 ? 205 PHE B CE1 1 ATOM 3966 C CE2 . PHE B 1 138 ? 8.934 43.611 -90.911 1.00 38.49 ? 205 PHE B CE2 1 ATOM 3967 C CZ . PHE B 1 138 ? 9.195 44.862 -91.363 1.00 38.81 ? 205 PHE B CZ 1 ATOM 3968 N N . ILE B 1 139 ? 8.629 43.139 -84.380 1.00 37.71 ? 206 ILE B N 1 ATOM 3969 C CA . ILE B 1 139 ? 8.741 42.784 -82.991 1.00 37.20 ? 206 ILE B CA 1 ATOM 3970 C C . ILE B 1 139 ? 8.811 41.286 -82.927 1.00 39.48 ? 206 ILE B C 1 ATOM 3971 O O . ILE B 1 139 ? 7.930 40.614 -83.433 1.00 40.25 ? 206 ILE B O 1 ATOM 3972 C CB . ILE B 1 139 ? 7.556 43.358 -82.243 1.00 42.72 ? 206 ILE B CB 1 ATOM 3973 C CG1 . ILE B 1 139 ? 7.701 44.870 -82.379 1.00 45.40 ? 206 ILE B CG1 1 ATOM 3974 C CG2 . ILE B 1 139 ? 7.527 42.831 -80.791 1.00 42.23 ? 206 ILE B CG2 1 ATOM 3975 C CD1 . ILE B 1 139 ? 6.652 45.688 -81.730 1.00 48.69 ? 206 ILE B CD1 1 ATOM 3976 N N . TYR B 1 140 ? 9.873 40.770 -82.307 1.00 35.85 ? 207 TYR B N 1 ATOM 3977 C CA . TYR B 1 140 ? 10.098 39.362 -82.229 1.00 36.02 ? 207 TYR B CA 1 ATOM 3978 C C . TYR B 1 140 ? 10.325 38.966 -80.769 1.00 37.32 ? 207 TYR B C 1 ATOM 3979 O O . TYR B 1 140 ? 11.126 39.557 -80.074 1.00 37.27 ? 207 TYR B O 1 ATOM 3980 C CB . TYR B 1 140 ? 11.329 38.978 -83.091 1.00 34.82 ? 207 TYR B CB 1 ATOM 3981 C CG . TYR B 1 140 ? 11.574 37.503 -83.098 1.00 32.77 ? 207 TYR B CG 1 ATOM 3982 C CD1 . TYR B 1 140 ? 10.784 36.663 -83.882 1.00 33.02 ? 207 TYR B CD1 1 ATOM 3983 C CD2 . TYR B 1 140 ? 12.589 36.924 -82.301 1.00 34.49 ? 207 TYR B CD2 1 ATOM 3984 C CE1 . TYR B 1 140 ? 10.978 35.286 -83.899 1.00 34.67 ? 207 TYR B CE1 1 ATOM 3985 C CE2 . TYR B 1 140 ? 12.809 35.529 -82.308 1.00 35.49 ? 207 TYR B CE2 1 ATOM 3986 C CZ . TYR B 1 140 ? 11.969 34.718 -83.092 1.00 40.13 ? 207 TYR B CZ 1 ATOM 3987 O OH . TYR B 1 140 ? 12.120 33.347 -83.150 1.00 42.42 ? 207 TYR B OH 1 ATOM 3988 N N . ASP B 1 141 ? 9.580 37.989 -80.326 1.00 42.09 ? 208 ASP B N 1 ATOM 3989 C CA . ASP B 1 141 ? 9.621 37.526 -78.951 1.00 44.01 ? 208 ASP B CA 1 ATOM 3990 C C . ASP B 1 141 ? 9.440 38.648 -77.915 1.00 40.90 ? 208 ASP B C 1 ATOM 3991 O O . ASP B 1 141 ? 10.201 38.760 -76.948 1.00 39.87 ? 208 ASP B O 1 ATOM 3992 C CB . ASP B 1 141 ? 10.934 36.763 -78.703 1.00 46.60 ? 208 ASP B CB 1 ATOM 3993 C CG . ASP B 1 141 ? 10.797 35.724 -77.560 1.00 54.01 ? 208 ASP B CG 1 ATOM 3994 O OD1 . ASP B 1 141 ? 9.671 35.407 -77.072 1.00 54.11 ? 208 ASP B OD1 1 ATOM 3995 O OD2 . ASP B 1 141 ? 11.825 35.226 -77.128 1.00 60.11 ? 208 ASP B OD2 1 ATOM 3996 N N . GLY B 1 142 ? 8.483 39.529 -78.152 1.00 38.57 ? 209 GLY B N 1 ATOM 3997 C CA . GLY B 1 142 ? 8.255 40.670 -77.256 1.00 35.60 ? 209 GLY B CA 1 ATOM 3998 C C . GLY B 1 142 ? 9.297 41.785 -77.298 1.00 43.16 ? 209 GLY B C 1 ATOM 3999 O O . GLY B 1 142 ? 9.169 42.726 -76.546 1.00 41.37 ? 209 GLY B O 1 ATOM 4000 N N . MET B 1 143 ? 10.288 41.720 -78.209 1.00 44.60 ? 210 MET B N 1 ATOM 4001 C CA . MET B 1 143 ? 11.256 42.797 -78.372 1.00 43.63 ? 210 MET B CA 1 ATOM 4002 C C . MET B 1 143 ? 11.271 43.402 -79.768 1.00 42.75 ? 210 MET B C 1 ATOM 4003 O O . MET B 1 143 ? 11.213 42.698 -80.768 1.00 39.46 ? 210 MET B O 1 ATOM 4004 C CB . MET B 1 143 ? 12.688 42.308 -78.103 1.00 47.69 ? 210 MET B CB 1 ATOM 4005 C CG . MET B 1 143 ? 12.891 41.679 -76.725 1.00 63.99 ? 210 MET B CG 1 ATOM 4006 S SD . MET B 1 143 ? 14.497 40.853 -76.586 1.00 68.46 ? 210 MET B SD 1 ATOM 4007 C CE . MET B 1 143 ? 14.203 39.819 -75.129 1.00 79.92 ? 210 MET B CE 1 ATOM 4008 N N . LEU B 1 144 ? 11.508 44.714 -79.820 1.00 40.66 ? 211 LEU B N 1 ATOM 4009 C CA . LEU B 1 144 ? 11.771 45.381 -81.058 1.00 41.10 ? 211 LEU B CA 1 ATOM 4010 C C . LEU B 1 144 ? 13.055 44.882 -81.687 1.00 37.89 ? 211 LEU B C 1 ATOM 4011 O O . LEU B 1 144 ? 14.097 45.028 -81.111 1.00 36.58 ? 211 LEU B O 1 ATOM 4012 C CB . LEU B 1 144 ? 11.811 46.907 -80.907 1.00 44.77 ? 211 LEU B CB 1 ATOM 4013 C CG . LEU B 1 144 ? 11.675 47.483 -82.342 1.00 53.55 ? 211 LEU B CG 1 ATOM 4014 C CD1 . LEU B 1 144 ? 10.472 48.342 -82.514 1.00 51.27 ? 211 LEU B CD1 1 ATOM 4015 C CD2 . LEU B 1 144 ? 12.917 48.189 -82.836 1.00 56.48 ? 211 LEU B CD2 1 ATOM 4016 N N . ALA B 1 145 ? 12.974 44.389 -82.911 1.00 39.61 ? 212 ALA B N 1 ATOM 4017 C CA . ALA B 1 145 ? 14.141 43.822 -83.583 1.00 39.35 ? 212 ALA B CA 1 ATOM 4018 C C . ALA B 1 145 ? 14.596 44.611 -84.815 1.00 40.16 ? 212 ALA B C 1 ATOM 4019 O O . ALA B 1 145 ? 15.721 44.475 -85.258 1.00 38.29 ? 212 ALA B O 1 ATOM 4020 C CB . ALA B 1 145 ? 13.839 42.383 -83.982 1.00 40.42 ? 212 ALA B CB 1 ATOM 4021 N N . ASP B 1 146 ? 13.690 45.293 -85.481 1.00 42.71 ? 213 ASP B N 1 ATOM 4022 C CA . ASP B 1 146 ? 14.063 46.014 -86.717 1.00 41.94 ? 213 ASP B CA 1 ATOM 4023 C C . ASP B 1 146 ? 12.961 46.985 -87.081 1.00 39.98 ? 213 ASP B C 1 ATOM 4024 O O . ASP B 1 146 ? 11.868 46.890 -86.539 1.00 38.88 ? 213 ASP B O 1 ATOM 4025 C CB . ASP B 1 146 ? 14.247 45.029 -87.889 1.00 38.02 ? 213 ASP B CB 1 ATOM 4026 C CG . ASP B 1 146 ? 15.383 45.436 -88.858 1.00 43.01 ? 213 ASP B CG 1 ATOM 4027 O OD1 . ASP B 1 146 ? 15.874 46.635 -88.817 1.00 41.38 ? 213 ASP B OD1 1 ATOM 4028 O OD2 . ASP B 1 146 ? 15.759 44.541 -89.692 1.00 45.80 ? 213 ASP B OD2 1 ATOM 4029 N N . SER B 1 147 ? 13.210 47.845 -88.056 1.00 36.91 ? 214 SER B N 1 ATOM 4030 C CA . SER B 1 147 ? 12.173 48.732 -88.600 1.00 36.74 ? 214 SER B CA 1 ATOM 4031 C C . SER B 1 147 ? 12.513 49.137 -90.029 1.00 35.68 ? 214 SER B C 1 ATOM 4032 O O . SER B 1 147 ? 13.675 49.122 -90.407 1.00 35.68 ? 214 SER B O 1 ATOM 4033 C CB . SER B 1 147 ? 12.049 49.974 -87.739 1.00 34.24 ? 214 SER B CB 1 ATOM 4034 O OG . SER B 1 147 ? 13.240 50.755 -87.745 1.00 34.33 ? 214 SER B OG 1 ATOM 4035 N N . ILE B 1 148 ? 11.508 49.522 -90.793 1.00 33.98 ? 215 ILE B N 1 ATOM 4036 C CA . ILE B 1 148 ? 11.746 50.067 -92.121 1.00 38.14 ? 215 ILE B CA 1 ATOM 4037 C C . ILE B 1 148 ? 10.813 51.239 -92.380 1.00 39.35 ? 215 ILE B C 1 ATOM 4038 O O . ILE B 1 148 ? 9.687 51.232 -91.907 1.00 39.13 ? 215 ILE B O 1 ATOM 4039 C CB . ILE B 1 148 ? 11.631 48.999 -93.203 1.00 38.01 ? 215 ILE B CB 1 ATOM 4040 C CG1 . ILE B 1 148 ? 12.177 49.507 -94.509 1.00 41.49 ? 215 ILE B CG1 1 ATOM 4041 C CG2 . ILE B 1 148 ? 10.199 48.586 -93.423 1.00 43.53 ? 215 ILE B CG2 1 ATOM 4042 C CD1 . ILE B 1 148 ? 12.383 48.378 -95.519 1.00 45.02 ? 215 ILE B CD1 1 ATOM 4043 N N . GLY B 1 149 ? 11.312 52.261 -93.082 1.00 41.46 ? 216 GLY B N 1 ATOM 4044 C CA . GLY B 1 149 ? 10.510 53.406 -93.531 1.00 42.15 ? 216 GLY B CA 1 ATOM 4045 C C . GLY B 1 149 ? 9.825 53.187 -94.869 1.00 39.60 ? 216 GLY B C 1 ATOM 4046 O O . GLY B 1 149 ? 10.199 52.320 -95.623 1.00 44.22 ? 216 GLY B O 1 ATOM 4047 N N . SER B 1 150 ? 8.820 54.003 -95.157 1.00 42.73 ? 217 SER B N 1 ATOM 4048 C CA . SER B 1 150 ? 8.095 53.995 -96.428 1.00 38.77 ? 217 SER B CA 1 ATOM 4049 C C . SER B 1 150 ? 9.030 54.276 -97.600 1.00 40.20 ? 217 SER B C 1 ATOM 4050 O O . SER B 1 150 ? 9.722 55.253 -97.611 1.00 40.47 ? 217 SER B O 1 ATOM 4051 C CB . SER B 1 150 ? 7.030 55.095 -96.364 1.00 40.82 ? 217 SER B CB 1 ATOM 4052 O OG . SER B 1 150 ? 6.242 55.202 -97.527 1.00 45.62 ? 217 SER B OG 1 ATOM 4053 N N . TRP B 1 151 ? 8.981 53.447 -98.627 1.00 44.12 ? 218 TRP B N 1 ATOM 4054 C CA . TRP B 1 151 ? 9.799 53.614 -99.839 1.00 45.95 ? 218 TRP B CA 1 ATOM 4055 C C . TRP B 1 151 ? 9.144 54.385 -101.002 1.00 45.64 ? 218 TRP B C 1 ATOM 4056 O O . TRP B 1 151 ? 9.839 54.846 -101.837 1.00 43.03 ? 218 TRP B O 1 ATOM 4057 C CB . TRP B 1 151 ? 10.306 52.256 -100.314 1.00 40.71 ? 218 TRP B CB 1 ATOM 4058 C CG . TRP B 1 151 ? 9.247 51.199 -100.505 1.00 40.03 ? 218 TRP B CG 1 ATOM 4059 C CD1 . TRP B 1 151 ? 8.417 51.071 -101.560 1.00 43.57 ? 218 TRP B CD1 1 ATOM 4060 C CD2 . TRP B 1 151 ? 8.954 50.113 -99.641 1.00 39.78 ? 218 TRP B CD2 1 ATOM 4061 N NE1 . TRP B 1 151 ? 7.605 49.945 -101.435 1.00 38.79 ? 218 TRP B NE1 1 ATOM 4062 C CE2 . TRP B 1 151 ? 7.918 49.345 -100.259 1.00 38.96 ? 218 TRP B CE2 1 ATOM 4063 C CE3 . TRP B 1 151 ? 9.419 49.729 -98.377 1.00 37.41 ? 218 TRP B CE3 1 ATOM 4064 C CZ2 . TRP B 1 151 ? 7.376 48.211 -99.679 1.00 39.93 ? 218 TRP B CZ2 1 ATOM 4065 C CZ3 . TRP B 1 151 ? 8.892 48.544 -97.806 1.00 40.69 ? 218 TRP B CZ3 1 ATOM 4066 C CH2 . TRP B 1 151 ? 7.879 47.802 -98.468 1.00 39.17 ? 218 TRP B CH2 1 ATOM 4067 N N . SER B 1 152 ? 7.832 54.532 -101.018 1.00 45.98 ? 219 SER B N 1 ATOM 4068 C CA . SER B 1 152 ? 7.124 55.344 -102.019 1.00 48.57 ? 219 SER B CA 1 ATOM 4069 C C . SER B 1 152 ? 6.297 56.507 -101.480 1.00 49.31 ? 219 SER B C 1 ATOM 4070 O O . SER B 1 152 ? 5.603 57.198 -102.215 1.00 49.62 ? 219 SER B O 1 ATOM 4071 C CB . SER B 1 152 ? 6.152 54.477 -102.791 1.00 51.70 ? 219 SER B CB 1 ATOM 4072 O OG . SER B 1 152 ? 6.839 53.448 -103.441 1.00 58.44 ? 219 SER B OG 1 ATOM 4073 N N . GLN B 1 153 ? 6.334 56.685 -100.181 1.00 57.75 ? 220 GLN B N 1 ATOM 4074 C CA . GLN B 1 153 ? 5.686 57.826 -99.522 1.00 54.53 ? 220 GLN B CA 1 ATOM 4075 C C . GLN B 1 153 ? 4.187 57.974 -99.744 1.00 51.65 ? 220 GLN B C 1 ATOM 4076 O O . GLN B 1 153 ? 3.662 59.068 -99.879 1.00 44.40 ? 220 GLN B O 1 ATOM 4077 C CB . GLN B 1 153 ? 6.451 59.070 -99.876 1.00 55.91 ? 220 GLN B CB 1 ATOM 4078 C CG . GLN B 1 153 ? 7.906 58.852 -99.502 1.00 68.47 ? 220 GLN B CG 1 ATOM 4079 C CD . GLN B 1 153 ? 8.512 60.085 -98.880 1.00 82.34 ? 220 GLN B CD 1 ATOM 4080 O OE1 . GLN B 1 153 ? 8.645 60.153 -97.643 1.00 98.52 ? 220 GLN B OE1 1 ATOM 4081 N NE2 . GLN B 1 153 ? 8.805 61.096 -99.695 1.00 72.97 ? 220 GLN B NE2 1 ATOM 4082 N N . ASN B 1 154 ? 3.513 56.837 -99.795 1.00 49.89 ? 221 ASN B N 1 ATOM 4083 C CA . ASN B 1 154 ? 2.074 56.817 -100.006 1.00 54.59 ? 221 ASN B CA 1 ATOM 4084 C C . ASN B 1 154 ? 1.387 55.574 -99.387 1.00 46.86 ? 221 ASN B C 1 ATOM 4085 O O . ASN B 1 154 ? 0.972 54.635 -100.071 1.00 51.74 ? 221 ASN B O 1 ATOM 4086 C CB . ASN B 1 154 ? 1.831 56.875 -101.523 1.00 56.01 ? 221 ASN B CB 1 ATOM 4087 C CG . ASN B 1 154 ? 0.421 57.284 -101.895 1.00 64.60 ? 221 ASN B CG 1 ATOM 4088 O OD1 . ASN B 1 154 ? -0.446 57.556 -101.047 1.00 62.31 ? 221 ASN B OD1 1 ATOM 4089 N ND2 . ASN B 1 154 ? 0.190 57.346 -103.206 1.00 67.46 ? 221 ASN B ND2 1 ATOM 4090 N N . ILE B 1 155 ? 1.397 55.551 -98.081 1.00 45.07 ? 222 ILE B N 1 ATOM 4091 C CA . ILE B 1 155 ? 0.681 54.549 -97.248 1.00 44.26 ? 222 ILE B CA 1 ATOM 4092 C C . ILE B 1 155 ? 1.285 53.142 -97.353 1.00 43.50 ? 222 ILE B C 1 ATOM 4093 O O . ILE B 1 155 ? 0.781 52.217 -97.995 1.00 38.73 ? 222 ILE B O 1 ATOM 4094 C CB . ILE B 1 155 ? -0.847 54.508 -97.487 1.00 44.20 ? 222 ILE B CB 1 ATOM 4095 C CG1 . ILE B 1 155 ? -1.440 55.908 -97.409 1.00 46.58 ? 222 ILE B CG1 1 ATOM 4096 C CG2 . ILE B 1 155 ? -1.512 53.652 -96.410 1.00 47.59 ? 222 ILE B CG2 1 ATOM 4097 C CD1 . ILE B 1 155 ? -2.857 56.005 -97.920 1.00 48.75 ? 222 ILE B CD1 1 ATOM 4098 N N . LEU B 1 156 ? 2.408 52.988 -96.710 1.00 42.69 ? 223 LEU B N 1 ATOM 4099 C CA . LEU B 1 156 ? 2.981 51.668 -96.545 1.00 43.19 ? 223 LEU B CA 1 ATOM 4100 C C . LEU B 1 156 ? 1.967 50.816 -95.774 1.00 42.24 ? 223 LEU B C 1 ATOM 4101 O O . LEU B 1 156 ? 1.458 51.225 -94.759 1.00 44.66 ? 223 LEU B O 1 ATOM 4102 C CB . LEU B 1 156 ? 4.289 51.781 -95.788 1.00 40.79 ? 223 LEU B CB 1 ATOM 4103 C CG . LEU B 1 156 ? 5.034 50.524 -95.439 1.00 41.55 ? 223 LEU B CG 1 ATOM 4104 C CD1 . LEU B 1 156 ? 5.497 49.806 -96.701 1.00 44.57 ? 223 LEU B CD1 1 ATOM 4105 C CD2 . LEU B 1 156 ? 6.236 50.867 -94.571 1.00 39.78 ? 223 LEU B CD2 1 ATOM 4106 N N . ARG B 1 157 ? 1.683 49.633 -96.281 1.00 46.05 ? 224 ARG B N 1 ATOM 4107 C CA . ARG B 1 157 ? 0.654 48.728 -95.724 1.00 45.35 ? 224 ARG B CA 1 ATOM 4108 C C . ARG B 1 157 ? 1.048 47.260 -95.955 1.00 45.07 ? 224 ARG B C 1 ATOM 4109 O O . ARG B 1 157 ? 1.879 46.939 -96.827 1.00 42.84 ? 224 ARG B O 1 ATOM 4110 C CB . ARG B 1 157 ? -0.706 48.985 -96.359 1.00 45.43 ? 224 ARG B CB 1 ATOM 4111 C CG . ARG B 1 157 ? -0.602 49.138 -97.874 1.00 50.33 ? 224 ARG B CG 1 ATOM 4112 C CD . ARG B 1 157 ? -1.690 49.993 -98.502 1.00 60.47 ? 224 ARG B CD 1 ATOM 4113 N NE . ARG B 1 157 ? -1.617 49.998 -99.968 1.00 60.65 ? 224 ARG B NE 1 ATOM 4114 C CZ . ARG B 1 157 ? -1.008 50.906 -100.747 1.00 63.89 ? 224 ARG B CZ 1 ATOM 4115 N NH1 . ARG B 1 157 ? -1.111 50.791 -102.078 1.00 75.79 ? 224 ARG B NH1 1 ATOM 4116 N NH2 . ARG B 1 157 ? -0.314 51.928 -100.254 1.00 62.59 ? 224 ARG B NH2 1 ATOM 4117 N N . THR B 1 158 ? 0.449 46.367 -95.181 1.00 40.01 ? 225 THR B N 1 ATOM 4118 C CA . THR B 1 158 ? 0.783 44.950 -95.274 1.00 38.67 ? 225 THR B CA 1 ATOM 4119 C C . THR B 1 158 ? -0.454 44.052 -95.334 1.00 37.74 ? 225 THR B C 1 ATOM 4120 O O . THR B 1 158 ? -1.519 44.461 -95.744 1.00 40.22 ? 225 THR B O 1 ATOM 4121 C CB . THR B 1 158 ? 1.829 44.566 -94.183 1.00 44.51 ? 225 THR B CB 1 ATOM 4122 O OG1 . THR B 1 158 ? 2.290 43.223 -94.378 1.00 41.72 ? 225 THR B OG1 1 ATOM 4123 C CG2 . THR B 1 158 ? 1.280 44.699 -92.753 1.00 43.65 ? 225 THR B CG2 1 ATOM 4124 N N . GLN B 1 159 ? -0.332 42.814 -94.912 1.00 42.43 ? 226 GLN B N 1 ATOM 4125 C CA . GLN B 1 159 ? -1.351 41.799 -95.251 1.00 40.87 ? 226 GLN B CA 1 ATOM 4126 C C . GLN B 1 159 ? -2.730 41.903 -94.527 1.00 36.54 ? 226 GLN B C 1 ATOM 4127 O O . GLN B 1 159 ? -3.725 41.538 -95.079 1.00 35.92 ? 226 GLN B O 1 ATOM 4128 C CB . GLN B 1 159 ? -0.753 40.404 -95.008 1.00 44.20 ? 226 GLN B CB 1 ATOM 4129 C CG . GLN B 1 159 ? 0.449 40.104 -95.884 1.00 45.05 ? 226 GLN B CG 1 ATOM 4130 C CD . GLN B 1 159 ? 1.108 38.792 -95.602 1.00 41.63 ? 226 GLN B CD 1 ATOM 4131 O OE1 . GLN B 1 159 ? 2.223 38.549 -96.080 1.00 46.30 ? 226 GLN B OE1 1 ATOM 4132 N NE2 . GLN B 1 159 ? 0.399 37.884 -94.969 1.00 47.81 ? 226 GLN B NE2 1 ATOM 4133 N N . GLU B 1 160 ? -2.723 42.299 -93.278 1.00 33.32 ? 227 GLU B N 1 ATOM 4134 C CA . GLU B 1 160 ? -3.846 42.130 -92.387 1.00 35.98 ? 227 GLU B CA 1 ATOM 4135 C C . GLU B 1 160 ? -4.251 40.681 -92.172 1.00 37.54 ? 227 GLU B C 1 ATOM 4136 O O . GLU B 1 160 ? -5.407 40.373 -91.956 1.00 36.86 ? 227 GLU B O 1 ATOM 4137 C CB . GLU B 1 160 ? -5.033 42.978 -92.815 1.00 39.86 ? 227 GLU B CB 1 ATOM 4138 C CG . GLU B 1 160 ? -4.752 44.324 -93.508 1.00 44.83 ? 227 GLU B CG 1 ATOM 4139 C CD . GLU B 1 160 ? -3.960 45.332 -92.712 1.00 50.57 ? 227 GLU B CD 1 ATOM 4140 O OE1 . GLU B 1 160 ? -3.759 45.102 -91.487 1.00 53.09 ? 227 GLU B OE1 1 ATOM 4141 O OE2 . GLU B 1 160 ? -3.544 46.388 -93.317 1.00 56.76 ? 227 GLU B OE2 1 ATOM 4142 N N . SER B 1 161 ? -3.285 39.776 -92.236 1.00 37.57 ? 228 SER B N 1 ATOM 4143 C CA . SER B 1 161 ? -3.500 38.365 -91.883 1.00 35.47 ? 228 SER B CA 1 ATOM 4144 C C . SER B 1 161 ? -2.132 37.720 -91.609 1.00 35.15 ? 228 SER B C 1 ATOM 4145 O O . SER B 1 161 ? -1.097 38.390 -91.624 1.00 34.77 ? 228 SER B O 1 ATOM 4146 C CB . SER B 1 161 ? -4.273 37.595 -92.979 1.00 35.06 ? 228 SER B CB 1 ATOM 4147 O OG . SER B 1 161 ? -3.543 37.615 -94.207 1.00 38.46 ? 228 SER B OG 1 ATOM 4148 N N . GLU B 1 162 ? -2.125 36.432 -91.331 1.00 35.75 ? 229 GLU B N 1 ATOM 4149 C CA . GLU B 1 162 ? -0.915 35.832 -90.819 1.00 36.80 ? 229 GLU B CA 1 ATOM 4150 C C . GLU B 1 162 ? 0.159 35.786 -91.878 1.00 39.59 ? 229 GLU B C 1 ATOM 4151 O O . GLU B 1 162 ? -0.103 35.521 -93.083 1.00 39.25 ? 229 GLU B O 1 ATOM 4152 C CB . GLU B 1 162 ? -1.159 34.451 -90.217 1.00 36.20 ? 229 GLU B CB 1 ATOM 4153 C CG . GLU B 1 162 ? -1.291 33.266 -91.166 1.00 38.23 ? 229 GLU B CG 1 ATOM 4154 C CD . GLU B 1 162 ? -1.218 31.904 -90.407 1.00 45.94 ? 229 GLU B CD 1 ATOM 4155 O OE1 . GLU B 1 162 ? -1.326 30.808 -91.069 1.00 47.46 ? 229 GLU B OE1 1 ATOM 4156 O OE2 . GLU B 1 162 ? -1.006 31.929 -89.133 1.00 42.46 ? 229 GLU B OE2 1 ATOM 4157 N N . CYS B 1 163 ? 1.380 36.081 -91.427 1.00 36.41 ? 230 CYS B N 1 ATOM 4158 C CA . CYS B 1 163 ? 2.565 35.813 -92.250 1.00 39.32 ? 230 CYS B CA 1 ATOM 4159 C C . CYS B 1 163 ? 2.884 34.318 -92.105 1.00 35.61 ? 230 CYS B C 1 ATOM 4160 O O . CYS B 1 163 ? 2.167 33.592 -91.401 1.00 36.60 ? 230 CYS B O 1 ATOM 4161 C CB . CYS B 1 163 ? 3.762 36.739 -91.886 1.00 39.94 ? 230 CYS B CB 1 ATOM 4162 S SG . CYS B 1 163 ? 3.980 37.146 -90.114 1.00 44.83 ? 230 CYS B SG 1 ATOM 4163 N N . VAL B 1 164 ? 3.946 33.856 -92.764 1.00 35.87 ? 231 VAL B N 1 ATOM 4164 C CA . VAL B 1 164 ? 4.290 32.420 -92.792 1.00 35.57 ? 231 VAL B CA 1 ATOM 4165 C C . VAL B 1 164 ? 5.796 32.230 -92.632 1.00 38.79 ? 231 VAL B C 1 ATOM 4166 O O . VAL B 1 164 ? 6.588 32.958 -93.274 1.00 46.12 ? 231 VAL B O 1 ATOM 4167 C CB . VAL B 1 164 ? 3.899 31.788 -94.130 1.00 39.54 ? 231 VAL B CB 1 ATOM 4168 C CG1 . VAL B 1 164 ? 4.118 30.286 -94.104 1.00 37.84 ? 231 VAL B CG1 1 ATOM 4169 C CG2 . VAL B 1 164 ? 2.465 32.066 -94.440 1.00 40.21 ? 231 VAL B CG2 1 ATOM 4170 N N . CYS B 1 165 ? 6.182 31.292 -91.777 1.00 37.48 ? 232 CYS B N 1 ATOM 4171 C CA . CYS B 1 165 ? 7.574 31.025 -91.479 1.00 43.08 ? 232 CYS B CA 1 ATOM 4172 C C . CYS B 1 165 ? 7.892 29.592 -91.800 1.00 44.16 ? 232 CYS B C 1 ATOM 4173 O O . CYS B 1 165 ? 7.183 28.710 -91.367 1.00 41.56 ? 232 CYS B O 1 ATOM 4174 C CB . CYS B 1 165 ? 7.882 31.232 -89.984 1.00 46.88 ? 232 CYS B CB 1 ATOM 4175 S SG . CYS B 1 165 ? 7.317 32.802 -89.310 1.00 53.62 ? 232 CYS B SG 1 ATOM 4176 N N . ILE B 1 166 ? 8.993 29.371 -92.494 1.00 41.08 ? 233 ILE B N 1 ATOM 4177 C CA . ILE B 1 166 ? 9.523 28.042 -92.701 1.00 41.19 ? 233 ILE B CA 1 ATOM 4178 C C . ILE B 1 166 ? 10.974 27.963 -92.295 1.00 42.14 ? 233 ILE B C 1 ATOM 4179 O O . ILE B 1 166 ? 11.830 28.720 -92.787 1.00 39.61 ? 233 ILE B O 1 ATOM 4180 C CB . ILE B 1 166 ? 9.429 27.628 -94.162 1.00 44.85 ? 233 ILE B CB 1 ATOM 4181 C CG1 . ILE B 1 166 ? 7.932 27.534 -94.529 1.00 50.63 ? 233 ILE B CG1 1 ATOM 4182 C CG2 . ILE B 1 166 ? 10.141 26.281 -94.380 1.00 41.24 ? 233 ILE B CG2 1 ATOM 4183 C CD1 . ILE B 1 166 ? 7.622 27.193 -95.980 1.00 48.74 ? 233 ILE B CD1 1 ATOM 4184 N N . ASN B 1 167 ? 11.248 27.022 -91.407 1.00 39.51 ? 234 ASN B N 1 ATOM 4185 C CA . ASN B 1 167 ? 12.600 26.825 -90.939 1.00 46.60 ? 234 ASN B CA 1 ATOM 4186 C C . ASN B 1 167 ? 13.255 28.095 -90.439 1.00 39.03 ? 234 ASN B C 1 ATOM 4187 O O . ASN B 1 167 ? 14.387 28.341 -90.716 1.00 42.22 ? 234 ASN B O 1 ATOM 4188 C CB . ASN B 1 167 ? 13.520 26.166 -92.011 1.00 51.19 ? 234 ASN B CB 1 ATOM 4189 C CG . ASN B 1 167 ? 14.667 25.408 -91.356 1.00 64.13 ? 234 ASN B CG 1 ATOM 4190 O OD1 . ASN B 1 167 ? 14.564 25.066 -90.173 1.00 72.96 ? 234 ASN B OD1 1 ATOM 4191 N ND2 . ASN B 1 167 ? 15.757 25.162 -92.082 1.00 86.06 ? 234 ASN B ND2 1 ATOM 4192 N N . GLY B 1 168 ? 12.518 28.925 -89.739 1.00 38.99 ? 235 GLY B N 1 ATOM 4193 C CA . GLY B 1 168 ? 13.101 30.110 -89.121 1.00 39.96 ? 235 GLY B CA 1 ATOM 4194 C C . GLY B 1 168 ? 13.064 31.368 -89.977 1.00 40.28 ? 235 GLY B C 1 ATOM 4195 O O . GLY B 1 168 ? 13.364 32.428 -89.487 1.00 41.51 ? 235 GLY B O 1 ATOM 4196 N N . THR B 1 169 ? 12.711 31.246 -91.257 1.00 41.38 ? 236 THR B N 1 ATOM 4197 C CA . THR B 1 169 ? 12.576 32.414 -92.108 1.00 39.22 ? 236 THR B CA 1 ATOM 4198 C C . THR B 1 169 ? 11.123 32.726 -92.387 1.00 36.71 ? 236 THR B C 1 ATOM 4199 O O . THR B 1 169 ? 10.394 31.893 -92.880 1.00 38.70 ? 236 THR B O 1 ATOM 4200 C CB . THR B 1 169 ? 13.229 32.191 -93.457 1.00 40.18 ? 236 THR B CB 1 ATOM 4201 O OG1 . THR B 1 169 ? 14.595 32.017 -93.265 1.00 39.89 ? 236 THR B OG1 1 ATOM 4202 C CG2 . THR B 1 169 ? 13.047 33.399 -94.346 1.00 40.87 ? 236 THR B CG2 1 ATOM 4203 N N . CYS B 1 170 ? 10.708 33.941 -92.051 1.00 38.74 ? 237 CYS B N 1 ATOM 4204 C CA . CYS B 1 170 ? 9.328 34.367 -92.200 1.00 40.01 ? 237 CYS B CA 1 ATOM 4205 C C . CYS B 1 170 ? 9.231 35.308 -93.378 1.00 38.10 ? 237 CYS B C 1 ATOM 4206 O O . CYS B 1 170 ? 10.054 36.185 -93.571 1.00 43.07 ? 237 CYS B O 1 ATOM 4207 C CB . CYS B 1 170 ? 8.813 35.061 -90.929 1.00 45.17 ? 237 CYS B CB 1 ATOM 4208 S SG . CYS B 1 170 ? 8.990 34.117 -89.378 1.00 51.19 ? 237 CYS B SG 1 ATOM 4209 N N . THR B 1 171 ? 8.126 35.220 -94.074 1.00 37.81 ? 238 THR B N 1 ATOM 4210 C CA . THR B 1 171 ? 7.872 36.079 -95.181 1.00 38.49 ? 238 THR B CA 1 ATOM 4211 C C . THR B 1 171 ? 6.580 36.860 -95.020 1.00 36.38 ? 238 THR B C 1 ATOM 4212 O O . THR B 1 171 ? 5.596 36.359 -94.504 1.00 35.84 ? 238 THR B O 1 ATOM 4213 C CB . THR B 1 171 ? 7.876 35.265 -96.500 1.00 42.33 ? 238 THR B CB 1 ATOM 4214 O OG1 . THR B 1 171 ? 7.892 36.164 -97.592 1.00 39.37 ? 238 THR B OG1 1 ATOM 4215 C CG2 . THR B 1 171 ? 6.645 34.381 -96.614 1.00 41.43 ? 238 THR B CG2 1 ATOM 4216 N N . VAL B 1 172 ? 6.614 38.102 -95.503 1.00 40.83 ? 239 VAL B N 1 ATOM 4217 C CA . VAL B 1 172 ? 5.505 39.043 -95.457 1.00 39.33 ? 239 VAL B CA 1 ATOM 4218 C C . VAL B 1 172 ? 5.550 40.014 -96.645 1.00 36.71 ? 239 VAL B C 1 ATOM 4219 O O . VAL B 1 172 ? 6.613 40.430 -97.112 1.00 37.28 ? 239 VAL B O 1 ATOM 4220 C CB . VAL B 1 172 ? 5.508 39.857 -94.142 1.00 44.99 ? 239 VAL B CB 1 ATOM 4221 C CG1 . VAL B 1 172 ? 6.637 40.841 -94.113 1.00 45.66 ? 239 VAL B CG1 1 ATOM 4222 C CG2 . VAL B 1 172 ? 4.177 40.578 -93.989 1.00 47.06 ? 239 VAL B CG2 1 ATOM 4223 N N . VAL B 1 173 ? 4.382 40.264 -97.182 1.00 32.65 ? 240 VAL B N 1 ATOM 4224 C CA . VAL B 1 173 ? 4.231 41.033 -98.390 1.00 33.61 ? 240 VAL B CA 1 ATOM 4225 C C . VAL B 1 173 ? 3.732 42.390 -97.984 1.00 34.97 ? 240 VAL B C 1 ATOM 4226 O O . VAL B 1 173 ? 2.792 42.498 -97.189 1.00 38.39 ? 240 VAL B O 1 ATOM 4227 C CB . VAL B 1 173 ? 3.170 40.432 -99.358 1.00 39.33 ? 240 VAL B CB 1 ATOM 4228 C CG1 . VAL B 1 173 ? 3.106 41.238 -100.629 1.00 37.77 ? 240 VAL B CG1 1 ATOM 4229 C CG2 . VAL B 1 173 ? 3.462 38.964 -99.716 1.00 40.08 ? 240 VAL B CG2 1 ATOM 4230 N N . MET B 1 174 ? 4.341 43.430 -98.559 1.00 37.14 ? 241 MET B N 1 ATOM 4231 C CA . MET B 1 174 ? 4.052 44.821 -98.246 1.00 39.29 ? 241 MET B CA 1 ATOM 4232 C C . MET B 1 174 ? 3.917 45.642 -99.530 1.00 39.45 ? 241 MET B C 1 ATOM 4233 O O . MET B 1 174 ? 4.587 45.395 -100.502 1.00 41.75 ? 241 MET B O 1 ATOM 4234 C CB . MET B 1 174 ? 5.179 45.414 -97.372 1.00 38.30 ? 241 MET B CB 1 ATOM 4235 C CG . MET B 1 174 ? 5.389 44.710 -96.031 1.00 39.92 ? 241 MET B CG 1 ATOM 4236 S SD . MET B 1 174 ? 6.356 45.700 -94.851 1.00 48.27 ? 241 MET B SD 1 ATOM 4237 C CE . MET B 1 174 ? 5.155 46.788 -94.136 1.00 49.46 ? 241 MET B CE 1 ATOM 4238 N N . THR B 1 175 ? 3.056 46.631 -99.508 1.00 41.53 ? 242 THR B N 1 ATOM 4239 C CA . THR B 1 175 ? 2.865 47.482 -100.655 1.00 41.06 ? 242 THR B CA 1 ATOM 4240 C C . THR B 1 175 ? 2.924 48.915 -100.192 1.00 41.78 ? 242 THR B C 1 ATOM 4241 O O . THR B 1 175 ? 2.441 49.261 -99.116 1.00 40.13 ? 242 THR B O 1 ATOM 4242 C CB . THR B 1 175 ? 1.509 47.182 -101.321 1.00 47.18 ? 242 THR B CB 1 ATOM 4243 O OG1 . THR B 1 175 ? 1.503 45.826 -101.771 1.00 49.25 ? 242 THR B OG1 1 ATOM 4244 C CG2 . THR B 1 175 ? 1.288 48.097 -102.557 1.00 48.15 ? 242 THR B CG2 1 ATOM 4245 N N . ASP B 1 176 ? 3.546 49.750 -100.996 1.00 43.42 ? 243 ASP B N 1 ATOM 4246 C CA . ASP B 1 176 ? 3.529 51.180 -100.754 1.00 42.22 ? 243 ASP B CA 1 ATOM 4247 C C . ASP B 1 176 ? 3.179 51.874 -102.071 1.00 49.20 ? 243 ASP B C 1 ATOM 4248 O O . ASP B 1 176 ? 3.586 51.484 -103.138 1.00 47.19 ? 243 ASP B O 1 ATOM 4249 C CB . ASP B 1 176 ? 4.874 51.583 -100.300 1.00 39.58 ? 243 ASP B CB 1 ATOM 4250 C CG . ASP B 1 176 ? 4.919 52.981 -99.630 1.00 43.10 ? 243 ASP B CG 1 ATOM 4251 O OD1 . ASP B 1 176 ? 4.051 53.839 -99.817 1.00 40.38 ? 243 ASP B OD1 1 ATOM 4252 O OD2 . ASP B 1 176 ? 5.924 53.263 -98.958 1.00 41.35 ? 243 ASP B OD2 1 ATOM 4253 N N . GLY B 1 177 ? 2.375 52.898 -102.035 1.00 57.42 ? 244 GLY B N 1 ATOM 4254 C CA . GLY B 1 177 ? 2.227 53.661 -103.261 1.00 58.78 ? 244 GLY B CA 1 ATOM 4255 C C . GLY B 1 177 ? 0.780 53.654 -103.659 1.00 62.24 ? 244 GLY B C 1 ATOM 4256 O O . GLY B 1 177 ? -0.062 53.138 -102.930 1.00 61.94 ? 244 GLY B O 1 ATOM 4257 N N . SER B 1 178 ? 0.492 54.244 -104.806 1.00 75.10 ? 245 SER B N 1 ATOM 4258 C CA . SER B 1 178 ? -0.850 54.758 -105.064 1.00 90.56 ? 245 SER B CA 1 ATOM 4259 C C . SER B 1 178 ? -1.791 53.597 -105.217 1.00 87.60 ? 245 SER B C 1 ATOM 4260 O O . SER B 1 178 ? -1.561 52.782 -106.099 1.00 81.46 ? 245 SER B O 1 ATOM 4261 C CB . SER B 1 178 ? -0.879 55.661 -106.310 1.00 102.12 ? 245 SER B CB 1 ATOM 4262 O OG . SER B 1 178 ? -2.213 55.930 -106.715 1.00 105.61 ? 245 SER B OG 1 ATOM 4263 N N . ALA B 1 179 ? -2.786 53.539 -104.314 1.00 85.42 ? 246 ALA B N 1 ATOM 4264 C CA . ALA B 1 179 ? -3.952 52.653 -104.372 1.00 93.20 ? 246 ALA B CA 1 ATOM 4265 C C . ALA B 1 179 ? -4.782 52.897 -105.657 1.00 115.28 ? 246 ALA B C 1 ATOM 4266 O O . ALA B 1 179 ? -5.722 53.720 -105.670 1.00 122.10 ? 246 ALA B O 1 ATOM 4267 C CB . ALA B 1 179 ? -4.835 52.861 -103.133 1.00 87.38 ? 246 ALA B CB 1 ATOM 4268 N N . SER B 1 180 ? -4.449 52.161 -106.721 1.00 120.19 ? 247 SER B N 1 ATOM 4269 C CA . SER B 1 180 ? -5.007 52.387 -108.067 1.00 117.51 ? 247 SER B CA 1 ATOM 4270 C C . SER B 1 180 ? -4.122 53.254 -108.975 1.00 116.57 ? 247 SER B C 1 ATOM 4271 O O . SER B 1 180 ? -4.604 54.157 -109.635 1.00 104.19 ? 247 SER B O 1 ATOM 4272 C CB . SER B 1 180 ? -6.424 52.965 -107.978 1.00 118.19 ? 247 SER B CB 1 ATOM 4273 O OG . SER B 1 180 ? -6.457 54.191 -107.279 1.00 111.92 ? 247 SER B OG 1 ATOM 4274 N N . GLY B 1 181 ? -2.834 52.944 -109.035 1.00 117.07 ? 248 GLY B N 1 ATOM 4275 C CA . GLY B 1 181 ? -1.930 53.558 -110.020 1.00 113.68 ? 248 GLY B CA 1 ATOM 4276 C C . GLY B 1 181 ? -0.862 52.503 -110.258 1.00 110.21 ? 248 GLY B C 1 ATOM 4277 O O . GLY B 1 181 ? -1.204 51.332 -110.375 1.00 101.95 ? 248 GLY B O 1 ATOM 4278 N N . ARG B 1 182 ? 0.412 52.872 -110.351 1.00 116.09 ? 249 ARG B N 1 ATOM 4279 C CA . ARG B 1 182 ? 1.465 51.908 -110.042 1.00 116.32 ? 249 ARG B CA 1 ATOM 4280 C C . ARG B 1 182 ? 1.893 52.037 -108.577 1.00 105.40 ? 249 ARG B C 1 ATOM 4281 O O . ARG B 1 182 ? 2.254 53.108 -108.085 1.00 98.34 ? 249 ARG B O 1 ATOM 4282 C CB . ARG B 1 182 ? 2.663 51.993 -110.999 1.00 123.98 ? 249 ARG B CB 1 ATOM 4283 C CG . ARG B 1 182 ? 2.488 51.111 -112.215 1.00 124.78 ? 249 ARG B CG 1 ATOM 4284 C CD . ARG B 1 182 ? 3.730 50.924 -113.057 1.00 126.78 ? 249 ARG B CD 1 ATOM 4285 N NE . ARG B 1 182 ? 3.331 50.250 -114.298 1.00 132.18 ? 249 ARG B NE 1 ATOM 4286 C CZ . ARG B 1 182 ? 3.948 50.352 -115.475 1.00 125.43 ? 249 ARG B CZ 1 ATOM 4287 N NH1 . ARG B 1 182 ? 5.029 51.108 -115.608 1.00 126.92 ? 249 ARG B NH1 1 ATOM 4288 N NH2 . ARG B 1 182 ? 3.474 49.691 -116.525 1.00 123.32 ? 249 ARG B NH2 1 ATOM 4289 N N . ALA B 1 183 ? 1.818 50.901 -107.903 1.00 86.90 ? 250 ALA B N 1 ATOM 4290 C CA . ALA B 1 183 ? 2.259 50.746 -106.539 1.00 66.79 ? 250 ALA B CA 1 ATOM 4291 C C . ALA B 1 183 ? 3.473 49.848 -106.533 1.00 58.64 ? 250 ALA B C 1 ATOM 4292 O O . ALA B 1 183 ? 3.763 49.136 -107.465 1.00 53.22 ? 250 ALA B O 1 ATOM 4293 C CB . ALA B 1 183 ? 1.176 50.134 -105.692 1.00 64.17 ? 250 ALA B CB 1 ATOM 4294 N N . ASP B 1 184 ? 4.160 49.865 -105.419 1.00 55.30 ? 251 ASP B N 1 ATOM 4295 C CA . ASP B 1 184 ? 5.414 49.199 -105.311 1.00 44.03 ? 251 ASP B CA 1 ATOM 4296 C C . ASP B 1 184 ? 5.315 48.168 -104.177 1.00 45.50 ? 251 ASP B C 1 ATOM 4297 O O . ASP B 1 184 ? 5.346 48.475 -102.964 1.00 40.04 ? 251 ASP B O 1 ATOM 4298 C CB . ASP B 1 184 ? 6.428 50.245 -105.075 1.00 47.38 ? 251 ASP B CB 1 ATOM 4299 C CG . ASP B 1 184 ? 7.831 49.724 -105.025 1.00 50.76 ? 251 ASP B CG 1 ATOM 4300 O OD1 . ASP B 1 184 ? 8.051 48.538 -104.699 1.00 49.95 ? 251 ASP B OD1 1 ATOM 4301 O OD2 . ASP B 1 184 ? 8.739 50.561 -105.262 1.00 55.83 ? 251 ASP B OD2 1 ATOM 4302 N N . THR B 1 185 ? 5.179 46.919 -104.623 1.00 41.68 ? 252 THR B N 1 ATOM 4303 C CA . THR B 1 185 ? 5.042 45.762 -103.783 1.00 41.04 ? 252 THR B CA 1 ATOM 4304 C C . THR B 1 185 ? 6.402 45.111 -103.601 1.00 42.86 ? 252 THR B C 1 ATOM 4305 O O . THR B 1 185 ? 7.117 44.885 -104.555 1.00 47.45 ? 252 THR B O 1 ATOM 4306 C CB . THR B 1 185 ? 4.025 44.788 -104.381 1.00 43.99 ? 252 THR B CB 1 ATOM 4307 O OG1 . THR B 1 185 ? 2.745 45.408 -104.328 1.00 41.70 ? 252 THR B OG1 1 ATOM 4308 C CG2 . THR B 1 185 ? 3.916 43.518 -103.614 1.00 44.84 ? 252 THR B CG2 1 ATOM 4309 N N . ARG B 1 186 ? 6.708 44.766 -102.356 1.00 44.40 ? 253 ARG B N 1 ATOM 4310 C CA . ARG B 1 186 ? 7.936 44.071 -101.994 1.00 42.76 ? 253 ARG B CA 1 ATOM 4311 C C . ARG B 1 186 ? 7.679 42.947 -101.017 1.00 41.33 ? 253 ARG B C 1 ATOM 4312 O O . ARG B 1 186 ? 6.772 43.012 -100.211 1.00 44.09 ? 253 ARG B O 1 ATOM 4313 C CB . ARG B 1 186 ? 8.914 45.048 -101.386 1.00 42.48 ? 253 ARG B CB 1 ATOM 4314 C CG . ARG B 1 186 ? 9.197 46.137 -102.367 1.00 43.22 ? 253 ARG B CG 1 ATOM 4315 C CD . ARG B 1 186 ? 10.378 47.039 -101.997 1.00 48.71 ? 253 ARG B CD 1 ATOM 4316 N NE . ARG B 1 186 ? 10.371 48.230 -102.867 1.00 45.32 ? 253 ARG B NE 1 ATOM 4317 C CZ . ARG B 1 186 ? 11.313 49.155 -102.907 1.00 52.45 ? 253 ARG B CZ 1 ATOM 4318 N NH1 . ARG B 1 186 ? 12.376 49.140 -102.070 1.00 55.24 ? 253 ARG B NH1 1 ATOM 4319 N NH2 . ARG B 1 186 ? 11.174 50.131 -103.768 1.00 48.92 ? 253 ARG B NH2 1 ATOM 4320 N N . ILE B 1 187 ? 8.470 41.889 -101.132 1.00 40.73 ? 254 ILE B N 1 ATOM 4321 C CA . ILE B 1 187 ? 8.337 40.704 -100.327 1.00 37.06 ? 254 ILE B CA 1 ATOM 4322 C C . ILE B 1 187 ? 9.564 40.660 -99.399 1.00 40.45 ? 254 ILE B C 1 ATOM 4323 O O . ILE B 1 187 ? 10.716 40.612 -99.863 1.00 40.44 ? 254 ILE B O 1 ATOM 4324 C CB . ILE B 1 187 ? 8.261 39.433 -101.176 1.00 36.26 ? 254 ILE B CB 1 ATOM 4325 C CG1 . ILE B 1 187 ? 6.969 39.373 -101.988 1.00 38.35 ? 254 ILE B CG1 1 ATOM 4326 C CG2 . ILE B 1 187 ? 8.253 38.192 -100.274 1.00 38.67 ? 254 ILE B CG2 1 ATOM 4327 C CD1 . ILE B 1 187 ? 6.996 40.206 -103.245 1.00 39.99 ? 254 ILE B CD1 1 ATOM 4328 N N . LEU B 1 188 ? 9.282 40.694 -98.101 1.00 40.95 ? 255 LEU B N 1 ATOM 4329 C CA . LEU B 1 188 ? 10.300 40.720 -97.046 1.00 39.62 ? 255 LEU B CA 1 ATOM 4330 C C . LEU B 1 188 ? 10.498 39.356 -96.437 1.00 40.39 ? 255 LEU B C 1 ATOM 4331 O O . LEU B 1 188 ? 9.572 38.561 -96.316 1.00 41.96 ? 255 LEU B O 1 ATOM 4332 C CB . LEU B 1 188 ? 9.907 41.650 -95.944 1.00 38.19 ? 255 LEU B CB 1 ATOM 4333 C CG . LEU B 1 188 ? 10.088 43.136 -96.282 1.00 40.28 ? 255 LEU B CG 1 ATOM 4334 C CD1 . LEU B 1 188 ? 9.076 43.659 -97.298 1.00 41.73 ? 255 LEU B CD1 1 ATOM 4335 C CD2 . LEU B 1 188 ? 9.945 43.921 -94.998 1.00 42.87 ? 255 LEU B CD2 1 ATOM 4336 N N . PHE B 1 189 ? 11.740 39.082 -96.117 1.00 37.62 ? 256 PHE B N 1 ATOM 4337 C CA . PHE B 1 189 ? 12.155 37.837 -95.527 1.00 37.96 ? 256 PHE B CA 1 ATOM 4338 C C . PHE B 1 189 ? 12.826 38.215 -94.227 1.00 38.23 ? 256 PHE B C 1 ATOM 4339 O O . PHE B 1 189 ? 13.750 39.004 -94.208 1.00 38.21 ? 256 PHE B O 1 ATOM 4340 C CB . PHE B 1 189 ? 13.133 37.123 -96.437 1.00 38.80 ? 256 PHE B CB 1 ATOM 4341 C CG . PHE B 1 189 ? 12.539 36.741 -97.751 1.00 40.06 ? 256 PHE B CG 1 ATOM 4342 C CD1 . PHE B 1 189 ? 12.584 37.611 -98.832 1.00 41.37 ? 256 PHE B CD1 1 ATOM 4343 C CD2 . PHE B 1 189 ? 11.933 35.507 -97.916 1.00 38.73 ? 256 PHE B CD2 1 ATOM 4344 C CE1 . PHE B 1 189 ? 12.038 37.249 -100.048 1.00 38.72 ? 256 PHE B CE1 1 ATOM 4345 C CE2 . PHE B 1 189 ? 11.364 35.159 -99.110 1.00 37.67 ? 256 PHE B CE2 1 ATOM 4346 C CZ . PHE B 1 189 ? 11.419 36.041 -100.184 1.00 39.89 ? 256 PHE B CZ 1 ATOM 4347 N N . ILE B 1 190 ? 12.355 37.603 -93.149 1.00 41.03 ? 257 ILE B N 1 ATOM 4348 C CA . ILE B 1 190 ? 12.690 38.002 -91.789 1.00 40.27 ? 257 ILE B CA 1 ATOM 4349 C C . ILE B 1 190 ? 13.106 36.804 -90.925 1.00 39.19 ? 257 ILE B C 1 ATOM 4350 O O . ILE B 1 190 ? 12.474 35.793 -90.919 1.00 40.77 ? 257 ILE B O 1 ATOM 4351 C CB . ILE B 1 190 ? 11.484 38.702 -91.181 1.00 37.47 ? 257 ILE B CB 1 ATOM 4352 C CG1 . ILE B 1 190 ? 11.170 39.895 -92.046 1.00 43.03 ? 257 ILE B CG1 1 ATOM 4353 C CG2 . ILE B 1 190 ? 11.791 39.206 -89.796 1.00 40.24 ? 257 ILE B CG2 1 ATOM 4354 C CD1 . ILE B 1 190 ? 9.749 40.298 -92.019 1.00 45.60 ? 257 ILE B CD1 1 ATOM 4355 N N . LYS B 1 191 ? 14.164 36.970 -90.174 1.00 42.95 ? 258 LYS B N 1 ATOM 4356 C CA . LYS B 1 191 ? 14.752 35.914 -89.380 1.00 46.58 ? 258 LYS B CA 1 ATOM 4357 C C . LYS B 1 191 ? 14.968 36.463 -87.987 1.00 43.87 ? 258 LYS B C 1 ATOM 4358 O O . LYS B 1 191 ? 15.765 37.372 -87.780 1.00 41.72 ? 258 LYS B O 1 ATOM 4359 C CB . LYS B 1 191 ? 16.090 35.514 -89.970 1.00 55.25 ? 258 LYS B CB 1 ATOM 4360 C CG . LYS B 1 191 ? 16.395 34.042 -89.856 1.00 72.34 ? 258 LYS B CG 1 ATOM 4361 C CD . LYS B 1 191 ? 17.620 33.594 -90.670 1.00 80.64 ? 258 LYS B CD 1 ATOM 4362 C CE . LYS B 1 191 ? 17.716 32.090 -90.732 1.00 91.57 ? 258 LYS B CE 1 ATOM 4363 N NZ . LYS B 1 191 ? 17.540 31.464 -89.384 1.00 80.42 ? 258 LYS B NZ 1 ATOM 4364 N N . GLU B 1 192 ? 14.222 35.929 -87.035 1.00 45.21 ? 259 GLU B N 1 ATOM 4365 C CA . GLU B 1 192 ? 14.238 36.413 -85.619 1.00 44.77 ? 259 GLU B CA 1 ATOM 4366 C C . GLU B 1 192 ? 14.034 37.913 -85.555 1.00 39.40 ? 259 GLU B C 1 ATOM 4367 O O . GLU B 1 192 ? 14.702 38.620 -84.814 1.00 41.63 ? 259 GLU B O 1 ATOM 4368 C CB . GLU B 1 192 ? 15.518 36.007 -84.928 1.00 45.88 ? 259 GLU B CB 1 ATOM 4369 C CG . GLU B 1 192 ? 15.622 34.508 -84.682 1.00 59.12 ? 259 GLU B CG 1 ATOM 4370 C CD . GLU B 1 192 ? 16.922 34.120 -83.978 1.00 70.51 ? 259 GLU B CD 1 ATOM 4371 O OE1 . GLU B 1 192 ? 18.001 34.154 -84.631 1.00 80.80 ? 259 GLU B OE1 1 ATOM 4372 O OE2 . GLU B 1 192 ? 16.870 33.859 -82.763 1.00 68.63 ? 259 GLU B OE2 1 ATOM 4373 N N . GLY B 1 193 ? 13.106 38.395 -86.372 1.00 41.86 ? 260 GLY B N 1 ATOM 4374 C CA . GLY B 1 193 ? 12.775 39.813 -86.460 1.00 39.48 ? 260 GLY B CA 1 ATOM 4375 C C . GLY B 1 193 ? 13.656 40.717 -87.293 1.00 39.13 ? 260 GLY B C 1 ATOM 4376 O O . GLY B 1 193 ? 13.321 41.871 -87.445 1.00 40.63 ? 260 GLY B O 1 ATOM 4377 N N . LYS B 1 194 ? 14.804 40.220 -87.750 1.00 40.82 ? 261 LYS B N 1 ATOM 4378 C CA . LYS B 1 194 ? 15.712 40.978 -88.597 1.00 42.37 ? 261 LYS B CA 1 ATOM 4379 C C . LYS B 1 194 ? 15.389 40.766 -90.057 1.00 42.11 ? 261 LYS B C 1 ATOM 4380 O O . LYS B 1 194 ? 15.231 39.626 -90.542 1.00 41.60 ? 261 LYS B O 1 ATOM 4381 C CB . LYS B 1 194 ? 17.141 40.543 -88.359 1.00 47.16 ? 261 LYS B CB 1 ATOM 4382 C CG . LYS B 1 194 ? 17.962 41.569 -87.647 1.00 55.50 ? 261 LYS B CG 1 ATOM 4383 C CD . LYS B 1 194 ? 17.521 41.833 -86.246 1.00 66.74 ? 261 LYS B CD 1 ATOM 4384 C CE . LYS B 1 194 ? 18.506 42.819 -85.589 1.00 67.34 ? 261 LYS B CE 1 ATOM 4385 N NZ . LYS B 1 194 ? 18.098 43.083 -84.194 1.00 66.56 ? 261 LYS B NZ 1 ATOM 4386 N N . ILE B 1 195 ? 15.273 41.852 -90.781 1.00 39.36 ? 262 ILE B N 1 ATOM 4387 C CA . ILE B 1 195 ? 15.034 41.748 -92.219 1.00 41.85 ? 262 ILE B CA 1 ATOM 4388 C C . ILE B 1 195 ? 16.295 41.271 -92.900 1.00 40.71 ? 262 ILE B C 1 ATOM 4389 O O . ILE B 1 195 ? 17.282 41.930 -92.818 1.00 43.15 ? 262 ILE B O 1 ATOM 4390 C CB . ILE B 1 195 ? 14.658 43.090 -92.815 1.00 42.24 ? 262 ILE B CB 1 ATOM 4391 C CG1 . ILE B 1 195 ? 13.406 43.579 -92.138 1.00 48.39 ? 262 ILE B CG1 1 ATOM 4392 C CG2 . ILE B 1 195 ? 14.435 42.970 -94.313 1.00 41.78 ? 262 ILE B CG2 1 ATOM 4393 C CD1 . ILE B 1 195 ? 13.085 45.012 -92.408 1.00 51.12 ? 262 ILE B CD1 1 ATOM 4394 N N . VAL B 1 196 ? 16.261 40.120 -93.557 1.00 40.31 ? 263 VAL B N 1 ATOM 4395 C CA . VAL B 1 196 ? 17.469 39.593 -94.182 1.00 44.20 ? 263 VAL B CA 1 ATOM 4396 C C . VAL B 1 196 ? 17.464 39.706 -95.694 1.00 42.37 ? 263 VAL B C 1 ATOM 4397 O O . VAL B 1 196 ? 18.499 39.631 -96.280 1.00 46.26 ? 263 VAL B O 1 ATOM 4398 C CB . VAL B 1 196 ? 17.790 38.123 -93.790 1.00 48.25 ? 263 VAL B CB 1 ATOM 4399 C CG1 . VAL B 1 196 ? 18.068 38.019 -92.292 1.00 46.42 ? 263 VAL B CG1 1 ATOM 4400 C CG2 . VAL B 1 196 ? 16.672 37.171 -94.210 1.00 45.92 ? 263 VAL B CG2 1 ATOM 4401 N N . HIS B 1 197 ? 16.310 39.893 -96.312 1.00 45.08 ? 264 HIS B N 1 ATOM 4402 C CA . HIS B 1 197 ? 16.256 40.101 -97.745 1.00 41.78 ? 264 HIS B CA 1 ATOM 4403 C C . HIS B 1 197 ? 14.931 40.737 -98.095 1.00 41.85 ? 264 HIS B C 1 ATOM 4404 O O . HIS B 1 197 ? 13.961 40.517 -97.420 1.00 44.73 ? 264 HIS B O 1 ATOM 4405 C CB . HIS B 1 197 ? 16.455 38.788 -98.487 1.00 45.18 ? 264 HIS B CB 1 ATOM 4406 C CG . HIS B 1 197 ? 16.751 38.945 -99.948 1.00 51.02 ? 264 HIS B CG 1 ATOM 4407 N ND1 . HIS B 1 197 ? 15.775 38.831 -100.922 1.00 56.33 ? 264 HIS B ND1 1 ATOM 4408 C CD2 . HIS B 1 197 ? 17.903 39.217 -100.604 1.00 56.03 ? 264 HIS B CD2 1 ATOM 4409 C CE1 . HIS B 1 197 ? 16.315 39.028 -102.113 1.00 58.11 ? 264 HIS B CE1 1 ATOM 4410 N NE2 . HIS B 1 197 ? 17.602 39.276 -101.948 1.00 55.86 ? 264 HIS B NE2 1 ATOM 4411 N N . ILE B 1 198 ? 14.939 41.550 -99.143 1.00 40.98 ? 265 ILE B N 1 ATOM 4412 C CA . ILE B 1 198 ? 13.772 42.086 -99.757 1.00 41.52 ? 265 ILE B CA 1 ATOM 4413 C C . ILE B 1 198 ? 13.784 41.828 -101.291 1.00 46.48 ? 265 ILE B C 1 ATOM 4414 O O . ILE B 1 198 ? 14.693 42.224 -101.963 1.00 45.71 ? 265 ILE B O 1 ATOM 4415 C CB . ILE B 1 198 ? 13.698 43.587 -99.506 1.00 43.28 ? 265 ILE B CB 1 ATOM 4416 C CG1 . ILE B 1 198 ? 13.807 43.851 -98.006 1.00 45.02 ? 265 ILE B CG1 1 ATOM 4417 C CG2 . ILE B 1 198 ? 12.400 44.162 -100.070 1.00 44.18 ? 265 ILE B CG2 1 ATOM 4418 C CD1 . ILE B 1 198 ? 13.405 45.249 -97.555 1.00 41.38 ? 265 ILE B CD1 1 ATOM 4419 N N . SER B 1 199 ? 12.718 41.249 -101.832 1.00 46.90 ? 266 SER B N 1 ATOM 4420 C CA . SER B 1 199 ? 12.635 40.996 -103.246 1.00 42.28 ? 266 SER B CA 1 ATOM 4421 C C . SER B 1 199 ? 11.516 41.790 -103.824 1.00 44.39 ? 266 SER B C 1 ATOM 4422 O O . SER B 1 199 ? 10.469 41.929 -103.212 1.00 46.46 ? 266 SER B O 1 ATOM 4423 C CB . SER B 1 199 ? 12.333 39.543 -103.558 1.00 43.57 ? 266 SER B CB 1 ATOM 4424 O OG . SER B 1 199 ? 13.337 38.673 -103.113 1.00 45.10 ? 266 SER B OG 1 ATOM 4425 N N . PRO B 1 200 ? 11.716 42.306 -105.030 1.00 46.65 ? 267 PRO B N 1 ATOM 4426 C CA . PRO B 1 200 ? 10.600 43.003 -105.706 1.00 47.41 ? 267 PRO B CA 1 ATOM 4427 C C . PRO B 1 200 ? 9.607 42.011 -106.258 1.00 41.96 ? 267 PRO B C 1 ATOM 4428 O O . PRO B 1 200 ? 9.947 40.853 -106.500 1.00 46.01 ? 267 PRO B O 1 ATOM 4429 C CB . PRO B 1 200 ? 11.295 43.740 -106.884 1.00 44.85 ? 267 PRO B CB 1 ATOM 4430 C CG . PRO B 1 200 ? 12.483 42.861 -107.207 1.00 47.87 ? 267 PRO B CG 1 ATOM 4431 C CD . PRO B 1 200 ? 12.920 42.219 -105.889 1.00 45.79 ? 267 PRO B CD 1 ATOM 4432 N N . LEU B 1 201 ? 8.379 42.452 -106.386 1.00 43.25 ? 268 LEU B N 1 ATOM 4433 C CA . LEU B 1 201 ? 7.385 41.667 -107.046 1.00 42.77 ? 268 LEU B CA 1 ATOM 4434 C C . LEU B 1 201 ? 7.790 41.412 -108.489 1.00 44.66 ? 268 LEU B C 1 ATOM 4435 O O . LEU B 1 201 ? 8.297 42.250 -109.147 1.00 45.15 ? 268 LEU B O 1 ATOM 4436 C CB . LEU B 1 201 ? 6.076 42.381 -107.078 1.00 42.48 ? 268 LEU B CB 1 ATOM 4437 C CG . LEU B 1 201 ? 4.962 41.633 -107.847 1.00 47.87 ? 268 LEU B CG 1 ATOM 4438 C CD1 . LEU B 1 201 ? 4.564 40.376 -107.101 1.00 49.82 ? 268 LEU B CD1 1 ATOM 4439 C CD2 . LEU B 1 201 ? 3.762 42.538 -108.023 1.00 49.08 ? 268 LEU B CD2 1 ATOM 4440 N N . SER B 1 202 ? 7.516 40.220 -108.973 1.00 47.54 ? 269 SER B N 1 ATOM 4441 C CA . SER B 1 202 ? 7.838 39.860 -110.305 1.00 46.57 ? 269 SER B CA 1 ATOM 4442 C C . SER B 1 202 ? 6.712 38.964 -110.874 1.00 46.29 ? 269 SER B C 1 ATOM 4443 O O . SER B 1 202 ? 5.910 38.398 -110.096 1.00 48.59 ? 269 SER B O 1 ATOM 4444 C CB . SER B 1 202 ? 9.197 39.172 -110.172 1.00 51.10 ? 269 SER B CB 1 ATOM 4445 O OG . SER B 1 202 ? 9.677 38.786 -111.385 1.00 57.04 ? 269 SER B OG 1 ATOM 4446 N N . GLY B 1 203 ? 6.646 38.810 -112.195 1.00 40.79 ? 270 GLY B N 1 ATOM 4447 C CA . GLY B 1 203 ? 5.605 38.006 -112.849 1.00 38.80 ? 270 GLY B CA 1 ATOM 4448 C C . GLY B 1 203 ? 4.513 38.881 -113.447 1.00 39.92 ? 270 GLY B C 1 ATOM 4449 O O . GLY B 1 203 ? 4.750 40.016 -113.719 1.00 47.04 ? 270 GLY B O 1 ATOM 4450 N N . SER B 1 204 ? 3.283 38.401 -113.610 1.00 43.81 ? 271 SER B N 1 ATOM 4451 C CA . SER B 1 204 ? 2.217 39.222 -114.331 1.00 44.68 ? 271 SER B CA 1 ATOM 4452 C C . SER B 1 204 ? 1.094 39.868 -113.456 1.00 46.18 ? 271 SER B C 1 ATOM 4453 O O . SER B 1 204 ? 0.237 40.560 -113.961 1.00 43.05 ? 271 SER B O 1 ATOM 4454 C CB . SER B 1 204 ? 1.571 38.381 -115.415 1.00 46.55 ? 271 SER B CB 1 ATOM 4455 O OG . SER B 1 204 ? 0.950 37.205 -114.895 1.00 46.89 ? 271 SER B OG 1 ATOM 4456 N N . ALA B 1 205 ? 1.150 39.693 -112.133 1.00 46.92 ? 272 ALA B N 1 ATOM 4457 C CA . ALA B 1 205 ? 0.202 40.352 -111.245 1.00 48.13 ? 272 ALA B CA 1 ATOM 4458 C C . ALA B 1 205 ? 0.446 41.841 -111.258 1.00 50.43 ? 272 ALA B C 1 ATOM 4459 O O . ALA B 1 205 ? 1.579 42.260 -111.159 1.00 54.91 ? 272 ALA B O 1 ATOM 4460 C CB . ALA B 1 205 ? 0.334 39.816 -109.820 1.00 46.94 ? 272 ALA B CB 1 ATOM 4461 N N . GLN B 1 206 ? -0.606 42.654 -111.234 1.00 60.28 ? 273 GLN B N 1 ATOM 4462 C CA . GLN B 1 206 ? -0.398 44.097 -111.422 1.00 62.56 ? 273 GLN B CA 1 ATOM 4463 C C . GLN B 1 206 ? -0.631 45.054 -110.267 1.00 67.44 ? 273 GLN B C 1 ATOM 4464 O O . GLN B 1 206 ? 0.047 46.081 -110.206 1.00 75.58 ? 273 GLN B O 1 ATOM 4465 C CB . GLN B 1 206 ? -1.170 44.564 -112.619 1.00 60.61 ? 273 GLN B CB 1 ATOM 4466 C CG . GLN B 1 206 ? -0.409 44.202 -113.887 1.00 65.11 ? 273 GLN B CG 1 ATOM 4467 C CD . GLN B 1 206 ? -1.217 44.493 -115.110 1.00 68.59 ? 273 GLN B CD 1 ATOM 4468 O OE1 . GLN B 1 206 ? -1.374 43.630 -115.978 1.00 69.94 ? 273 GLN B OE1 1 ATOM 4469 N NE2 . GLN B 1 206 ? -1.810 45.686 -115.160 1.00 64.44 ? 273 GLN B NE2 1 ATOM 4470 N N . HIS B 1 207 ? -1.580 44.775 -109.375 1.00 58.38 ? 274 HIS B N 1 ATOM 4471 C CA . HIS B 1 207 ? -1.842 45.694 -108.292 1.00 63.22 ? 274 HIS B CA 1 ATOM 4472 C C . HIS B 1 207 ? -2.053 44.589 -107.255 1.00 68.09 ? 274 HIS B C 1 ATOM 4473 O O . HIS B 1 207 ? -2.707 43.614 -107.546 1.00 71.47 ? 274 HIS B O 1 ATOM 4474 C CB . HIS B 1 207 ? -3.073 46.609 -108.539 1.00 73.21 ? 274 HIS B CB 1 ATOM 4475 C CG . HIS B 1 207 ? -3.033 47.364 -109.845 1.00 89.47 ? 274 HIS B CG 1 ATOM 4476 N ND1 . HIS B 1 207 ? -2.607 48.672 -109.937 1.00 95.37 ? 274 HIS B ND1 1 ATOM 4477 C CD2 . HIS B 1 207 ? -3.364 46.993 -111.110 1.00 91.87 ? 274 HIS B CD2 1 ATOM 4478 C CE1 . HIS B 1 207 ? -2.667 49.069 -111.197 1.00 93.44 ? 274 HIS B CE1 1 ATOM 4479 N NE2 . HIS B 1 207 ? -3.124 48.072 -111.928 1.00 90.43 ? 274 HIS B NE2 1 ATOM 4480 N N . ILE B 1 208 ? -1.372 44.698 -106.131 1.00 57.27 ? 275 ILE B N 1 ATOM 4481 C CA . ILE B 1 208 ? -1.431 43.778 -105.050 1.00 52.75 ? 275 ILE B CA 1 ATOM 4482 C C . ILE B 1 208 ? -1.627 44.466 -103.713 1.00 47.18 ? 275 ILE B C 1 ATOM 4483 O O . ILE B 1 208 ? -0.910 45.398 -103.349 1.00 43.34 ? 275 ILE B O 1 ATOM 4484 C CB . ILE B 1 208 ? -0.108 43.059 -104.905 1.00 51.73 ? 275 ILE B CB 1 ATOM 4485 C CG1 . ILE B 1 208 ? 0.202 42.270 -106.176 1.00 53.72 ? 275 ILE B CG1 1 ATOM 4486 C CG2 . ILE B 1 208 ? -0.100 42.206 -103.634 1.00 56.24 ? 275 ILE B CG2 1 ATOM 4487 C CD1 . ILE B 1 208 ? -0.194 40.825 -106.162 1.00 58.99 ? 275 ILE B CD1 1 ATOM 4488 N N . GLU B 1 209 ? -2.601 43.957 -102.989 1.00 42.57 ? 276 GLU B N 1 ATOM 4489 C CA . GLU B 1 209 ? -2.954 44.404 -101.662 1.00 43.34 ? 276 GLU B CA 1 ATOM 4490 C C . GLU B 1 209 ? -3.354 43.206 -100.804 1.00 41.10 ? 276 GLU B C 1 ATOM 4491 O O . GLU B 1 209 ? -3.925 42.191 -101.297 1.00 39.27 ? 276 GLU B O 1 ATOM 4492 C CB . GLU B 1 209 ? -4.165 45.317 -101.769 1.00 48.91 ? 276 GLU B CB 1 ATOM 4493 C CG . GLU B 1 209 ? -3.876 46.732 -102.279 1.00 59.43 ? 276 GLU B CG 1 ATOM 4494 C CD . GLU B 1 209 ? -3.116 47.611 -101.315 1.00 72.81 ? 276 GLU B CD 1 ATOM 4495 O OE1 . GLU B 1 209 ? -2.822 47.229 -100.134 1.00 90.45 ? 276 GLU B OE1 1 ATOM 4496 O OE2 . GLU B 1 209 ? -2.828 48.729 -101.766 1.00 84.97 ? 276 GLU B OE2 1 ATOM 4497 N N . GLU B 1 210 ? -3.069 43.310 -99.520 1.00 41.06 ? 277 GLU B N 1 ATOM 4498 C CA . GLU B 1 210 ? -3.717 42.466 -98.472 1.00 36.83 ? 277 GLU B CA 1 ATOM 4499 C C . GLU B 1 210 ? -3.664 40.967 -98.775 1.00 38.69 ? 277 GLU B C 1 ATOM 4500 O O . GLU B 1 210 ? -4.682 40.245 -98.778 1.00 38.97 ? 277 GLU B O 1 ATOM 4501 C CB . GLU B 1 210 ? -5.141 42.953 -98.277 1.00 38.35 ? 277 GLU B CB 1 ATOM 4502 C CG . GLU B 1 210 ? -5.180 44.363 -97.663 1.00 39.01 ? 277 GLU B CG 1 ATOM 4503 C CD . GLU B 1 210 ? -6.558 45.043 -97.708 1.00 46.92 ? 277 GLU B CD 1 ATOM 4504 O OE1 . GLU B 1 210 ? -7.445 44.515 -98.424 1.00 52.05 ? 277 GLU B OE1 1 ATOM 4505 O OE2 . GLU B 1 210 ? -6.762 46.096 -97.022 1.00 49.97 ? 277 GLU B OE2 1 ATOM 4506 N N . CYS B 1 211 ? -2.470 40.488 -99.059 1.00 37.68 ? 278 CYS B N 1 ATOM 4507 C CA . CYS B 1 211 ? -2.301 39.070 -99.338 1.00 39.79 ? 278 CYS B CA 1 ATOM 4508 C C . CYS B 1 211 ? -2.702 38.138 -98.148 1.00 41.34 ? 278 CYS B C 1 ATOM 4509 O O . CYS B 1 211 ? -2.338 38.397 -96.996 1.00 35.70 ? 278 CYS B O 1 ATOM 4510 C CB . CYS B 1 211 ? -0.844 38.829 -99.693 1.00 41.38 ? 278 CYS B CB 1 ATOM 4511 S SG . CYS B 1 211 ? -0.391 39.631 -101.248 1.00 48.03 ? 278 CYS B SG 1 ATOM 4512 N N . SER B 1 212 ? -3.420 37.058 -98.477 1.00 36.82 ? 279 SER B N 1 ATOM 4513 C CA . SER B 1 212 ? -3.556 35.916 -97.623 1.00 35.11 ? 279 SER B CA 1 ATOM 4514 C C . SER B 1 212 ? -2.675 34.807 -98.081 1.00 35.83 ? 279 SER B C 1 ATOM 4515 O O . SER B 1 212 ? -2.881 34.213 -99.141 1.00 35.93 ? 279 SER B O 1 ATOM 4516 C CB . SER B 1 212 ? -4.977 35.391 -97.613 1.00 38.16 ? 279 SER B CB 1 ATOM 4517 O OG . SER B 1 212 ? -5.884 36.454 -97.475 1.00 41.52 ? 279 SER B OG 1 ATOM 4518 N N . CYS B 1 213 ? -1.749 34.455 -97.198 1.00 38.58 ? 280 CYS B N 1 ATOM 4519 C CA . CYS B 1 213 ? -0.641 33.546 -97.490 1.00 37.99 ? 280 CYS B CA 1 ATOM 4520 C C . CYS B 1 213 ? -0.680 32.275 -96.657 1.00 38.71 ? 280 CYS B C 1 ATOM 4521 O O . CYS B 1 213 ? -1.198 32.232 -95.530 1.00 38.29 ? 280 CYS B O 1 ATOM 4522 C CB . CYS B 1 213 ? 0.695 34.264 -97.245 1.00 39.05 ? 280 CYS B CB 1 ATOM 4523 S SG . CYS B 1 213 ? 0.925 35.807 -98.183 1.00 41.18 ? 280 CYS B SG 1 ATOM 4524 N N . TYR B 1 214 ? -0.113 31.221 -97.232 1.00 40.01 ? 281 TYR B N 1 ATOM 4525 C CA . TYR B 1 214 ? -0.045 29.951 -96.582 1.00 36.42 ? 281 TYR B CA 1 ATOM 4526 C C . TYR B 1 214 ? 1.212 29.172 -97.002 1.00 42.43 ? 281 TYR B C 1 ATOM 4527 O O . TYR B 1 214 ? 1.725 29.339 -98.104 1.00 36.83 ? 281 TYR B O 1 ATOM 4528 C CB . TYR B 1 214 ? -1.270 29.152 -96.906 1.00 35.95 ? 281 TYR B CB 1 ATOM 4529 C CG . TYR B 1 214 ? -1.542 28.843 -98.373 1.00 38.51 ? 281 TYR B CG 1 ATOM 4530 C CD1 . TYR B 1 214 ? -1.140 27.610 -98.945 1.00 36.84 ? 281 TYR B CD1 1 ATOM 4531 C CD2 . TYR B 1 214 ? -2.271 29.728 -99.177 1.00 40.43 ? 281 TYR B CD2 1 ATOM 4532 C CE1 . TYR B 1 214 ? -1.452 27.278 -100.270 1.00 41.68 ? 281 TYR B CE1 1 ATOM 4533 C CE2 . TYR B 1 214 ? -2.546 29.425 -100.521 1.00 43.16 ? 281 TYR B CE2 1 ATOM 4534 C CZ . TYR B 1 214 ? -2.135 28.189 -101.058 1.00 41.16 ? 281 TYR B CZ 1 ATOM 4535 O OH . TYR B 1 214 ? -2.428 27.872 -102.328 1.00 38.74 ? 281 TYR B OH 1 ATOM 4536 N N . PRO B 1 215 ? 1.680 28.291 -96.112 1.00 40.67 ? 282 PRO B N 1 ATOM 4537 C CA . PRO B 1 215 ? 2.789 27.443 -96.431 1.00 38.92 ? 282 PRO B CA 1 ATOM 4538 C C . PRO B 1 215 ? 2.393 26.344 -97.358 1.00 40.78 ? 282 PRO B C 1 ATOM 4539 O O . PRO B 1 215 ? 1.322 25.716 -97.207 1.00 38.70 ? 282 PRO B O 1 ATOM 4540 C CB . PRO B 1 215 ? 3.218 26.857 -95.065 1.00 39.04 ? 282 PRO B CB 1 ATOM 4541 C CG . PRO B 1 215 ? 1.973 26.865 -94.225 1.00 38.79 ? 282 PRO B CG 1 ATOM 4542 C CD . PRO B 1 215 ? 1.157 28.053 -94.752 1.00 39.91 ? 282 PRO B CD 1 ATOM 4543 N N . ARG B 1 216 ? 3.284 26.102 -98.306 1.00 42.50 ? 283 ARG B N 1 ATOM 4544 C CA . ARG B 1 216 ? 3.159 25.014 -99.268 1.00 43.36 ? 283 ARG B CA 1 ATOM 4545 C C . ARG B 1 216 ? 4.557 24.473 -99.496 1.00 43.79 ? 283 ARG B C 1 ATOM 4546 O O . ARG B 1 216 ? 5.239 24.796 -100.492 1.00 42.91 ? 283 ARG B O 1 ATOM 4547 C CB . ARG B 1 216 ? 2.574 25.595 -100.527 1.00 42.99 ? 283 ARG B CB 1 ATOM 4548 C CG . ARG B 1 216 ? 2.221 24.562 -101.536 1.00 48.28 ? 283 ARG B CG 1 ATOM 4549 C CD . ARG B 1 216 ? 1.495 25.281 -102.654 1.00 52.16 ? 283 ARG B CD 1 ATOM 4550 N NE . ARG B 1 216 ? 0.987 24.302 -103.579 1.00 47.71 ? 283 ARG B NE 1 ATOM 4551 C CZ . ARG B 1 216 ? 1.705 23.740 -104.537 1.00 51.85 ? 283 ARG B CZ 1 ATOM 4552 N NH1 . ARG B 1 216 ? 2.997 24.010 -104.673 1.00 53.60 ? 283 ARG B NH1 1 ATOM 4553 N NH2 . ARG B 1 216 ? 1.119 22.897 -105.364 1.00 47.58 ? 283 ARG B NH2 1 ATOM 4554 N N . TYR B 1 217 ? 4.982 23.682 -98.533 1.00 40.28 ? 284 TYR B N 1 ATOM 4555 C CA . TYR B 1 217 ? 6.378 23.328 -98.373 1.00 47.85 ? 284 TYR B CA 1 ATOM 4556 C C . TYR B 1 217 ? 7.024 22.860 -99.696 1.00 46.48 ? 284 TYR B C 1 ATOM 4557 O O . TYR B 1 217 ? 6.411 22.139 -100.436 1.00 45.12 ? 284 TYR B O 1 ATOM 4558 C CB . TYR B 1 217 ? 6.509 22.238 -97.323 1.00 49.62 ? 284 TYR B CB 1 ATOM 4559 C CG . TYR B 1 217 ? 7.941 21.924 -96.992 1.00 52.03 ? 284 TYR B CG 1 ATOM 4560 C CD1 . TYR B 1 217 ? 8.625 22.696 -96.066 1.00 49.66 ? 284 TYR B CD1 1 ATOM 4561 C CD2 . TYR B 1 217 ? 8.626 20.878 -97.638 1.00 54.60 ? 284 TYR B CD2 1 ATOM 4562 C CE1 . TYR B 1 217 ? 9.950 22.435 -95.754 1.00 53.87 ? 284 TYR B CE1 1 ATOM 4563 C CE2 . TYR B 1 217 ? 9.967 20.618 -97.352 1.00 52.82 ? 284 TYR B CE2 1 ATOM 4564 C CZ . TYR B 1 217 ? 10.614 21.395 -96.395 1.00 55.17 ? 284 TYR B CZ 1 ATOM 4565 O OH . TYR B 1 217 ? 11.906 21.185 -96.098 1.00 54.11 ? 284 TYR B OH 1 ATOM 4566 N N . PRO B 1 218 ? 8.236 23.328 -100.020 1.00 46.26 ? 285 PRO B N 1 ATOM 4567 C CA . PRO B 1 218 ? 9.138 24.204 -99.280 1.00 46.62 ? 285 PRO B CA 1 ATOM 4568 C C . PRO B 1 218 ? 8.871 25.706 -99.468 1.00 47.34 ? 285 PRO B C 1 ATOM 4569 O O . PRO B 1 218 ? 9.654 26.525 -98.993 1.00 50.95 ? 285 PRO B O 1 ATOM 4570 C CB . PRO B 1 218 ? 10.520 23.862 -99.896 1.00 47.35 ? 285 PRO B CB 1 ATOM 4571 C CG . PRO B 1 218 ? 10.181 23.617 -101.353 1.00 43.01 ? 285 PRO B CG 1 ATOM 4572 C CD . PRO B 1 218 ? 8.810 22.956 -101.346 1.00 46.30 ? 285 PRO B CD 1 ATOM 4573 N N . ASP B 1 219 ? 7.784 26.061 -100.136 1.00 45.27 ? 286 ASP B N 1 ATOM 4574 C CA . ASP B 1 219 ? 7.489 27.454 -100.446 1.00 43.26 ? 286 ASP B CA 1 ATOM 4575 C C . ASP B 1 219 ? 6.286 28.040 -99.770 1.00 42.36 ? 286 ASP B C 1 ATOM 4576 O O . ASP B 1 219 ? 5.704 27.429 -98.855 1.00 39.14 ? 286 ASP B O 1 ATOM 4577 C CB . ASP B 1 219 ? 7.373 27.559 -101.956 1.00 51.26 ? 286 ASP B CB 1 ATOM 4578 C CG . ASP B 1 219 ? 8.677 27.107 -102.628 1.00 65.43 ? 286 ASP B CG 1 ATOM 4579 O OD1 . ASP B 1 219 ? 9.808 27.530 -102.162 1.00 85.33 ? 286 ASP B OD1 1 ATOM 4580 O OD2 . ASP B 1 219 ? 8.576 26.271 -103.551 1.00 68.31 ? 286 ASP B OD2 1 ATOM 4581 N N . VAL B 1 220 ? 5.967 29.280 -100.150 1.00 37.69 ? 287 VAL B N 1 ATOM 4582 C CA . VAL B 1 220 ? 4.817 29.969 -99.640 1.00 36.07 ? 287 VAL B CA 1 ATOM 4583 C C . VAL B 1 220 ? 4.021 30.433 -100.847 1.00 38.44 ? 287 VAL B C 1 ATOM 4584 O O . VAL B 1 220 ? 4.576 30.936 -101.825 1.00 34.65 ? 287 VAL B O 1 ATOM 4585 C CB . VAL B 1 220 ? 5.214 31.164 -98.746 1.00 35.18 ? 287 VAL B CB 1 ATOM 4586 C CG1 . VAL B 1 220 ? 4.013 31.998 -98.395 1.00 35.62 ? 287 VAL B CG1 1 ATOM 4587 C CG2 . VAL B 1 220 ? 5.835 30.668 -97.460 1.00 36.29 ? 287 VAL B CG2 1 ATOM 4588 N N . ARG B 1 221 ? 2.708 30.397 -100.706 1.00 34.53 ? 288 ARG B N 1 ATOM 4589 C CA . ARG B 1 221 ? 1.849 30.892 -101.742 1.00 37.53 ? 288 ARG B CA 1 ATOM 4590 C C . ARG B 1 221 ? 0.823 31.901 -101.144 1.00 41.06 ? 288 ARG B C 1 ATOM 4591 O O . ARG B 1 221 ? 0.323 31.681 -100.049 1.00 38.28 ? 288 ARG B O 1 ATOM 4592 C CB . ARG B 1 221 ? 1.195 29.712 -102.329 1.00 37.04 ? 288 ARG B CB 1 ATOM 4593 C CG . ARG B 1 221 ? 0.173 30.058 -103.394 1.00 45.17 ? 288 ARG B CG 1 ATOM 4594 C CD . ARG B 1 221 ? -0.142 28.802 -104.222 1.00 49.07 ? 288 ARG B CD 1 ATOM 4595 N NE . ARG B 1 221 ? 0.866 28.562 -105.251 1.00 52.16 ? 288 ARG B NE 1 ATOM 4596 C CZ . ARG B 1 221 ? 0.941 27.488 -106.038 1.00 48.02 ? 288 ARG B CZ 1 ATOM 4597 N NH1 . ARG B 1 221 ? 0.099 26.494 -105.911 1.00 53.10 ? 288 ARG B NH1 1 ATOM 4598 N NH2 . ARG B 1 221 ? 1.883 27.414 -106.948 1.00 46.04 ? 288 ARG B NH2 1 ATOM 4599 N N . CYS B 1 222 ? 0.549 32.988 -101.869 1.00 40.08 ? 289 CYS B N 1 ATOM 4600 C CA . CYS B 1 222 ? -0.376 34.027 -101.430 1.00 41.08 ? 289 CYS B CA 1 ATOM 4601 C C . CYS B 1 222 ? -1.434 34.269 -102.481 1.00 41.84 ? 289 CYS B C 1 ATOM 4602 O O . CYS B 1 222 ? -1.146 34.229 -103.671 1.00 39.39 ? 289 CYS B O 1 ATOM 4603 C CB . CYS B 1 222 ? 0.349 35.350 -101.226 1.00 43.43 ? 289 CYS B CB 1 ATOM 4604 S SG . CYS B 1 222 ? 1.732 35.276 -100.087 1.00 47.66 ? 289 CYS B SG 1 ATOM 4605 N N . VAL B 1 223 ? -2.637 34.564 -102.026 1.00 37.23 ? 290 VAL B N 1 ATOM 4606 C CA . VAL B 1 223 ? -3.668 35.019 -102.876 1.00 34.82 ? 290 VAL B CA 1 ATOM 4607 C C . VAL B 1 223 ? -4.110 36.357 -102.356 1.00 36.15 ? 290 VAL B C 1 ATOM 4608 O O . VAL B 1 223 ? -4.385 36.511 -101.163 1.00 39.92 ? 290 VAL B O 1 ATOM 4609 C CB . VAL B 1 223 ? -4.845 34.014 -102.868 1.00 40.66 ? 290 VAL B CB 1 ATOM 4610 C CG1 . VAL B 1 223 ? -6.047 34.515 -103.680 1.00 41.67 ? 290 VAL B CG1 1 ATOM 4611 C CG2 . VAL B 1 223 ? -4.422 32.671 -103.415 1.00 40.39 ? 290 VAL B CG2 1 ATOM 4612 N N . CYS B 1 224 ? -4.265 37.309 -103.255 1.00 37.61 ? 291 CYS B N 1 ATOM 4613 C CA . CYS B 1 224 ? -4.332 38.694 -102.863 1.00 38.15 ? 291 CYS B CA 1 ATOM 4614 C C . CYS B 1 224 ? -5.560 39.411 -103.462 1.00 35.97 ? 291 CYS B C 1 ATOM 4615 O O . CYS B 1 224 ? -6.511 38.815 -103.958 1.00 40.48 ? 291 CYS B O 1 ATOM 4616 C CB . CYS B 1 224 ? -2.979 39.392 -103.255 1.00 44.20 ? 291 CYS B CB 1 ATOM 4617 S SG . CYS B 1 224 ? -1.462 38.478 -102.854 1.00 46.28 ? 291 CYS B SG 1 ATOM 4618 N N . ARG B 1 225 ? -5.541 40.713 -103.317 1.00 39.72 ? 292 ARG B N 1 ATOM 4619 C CA . ARG B 1 225 ? -6.567 41.620 -103.799 1.00 39.05 ? 292 ARG B CA 1 ATOM 4620 C C . ARG B 1 225 ? -5.953 42.553 -104.852 1.00 38.57 ? 292 ARG B C 1 ATOM 4621 O O . ARG B 1 225 ? -4.923 43.184 -104.596 1.00 38.43 ? 292 ARG B O 1 ATOM 4622 C CB . ARG B 1 225 ? -7.063 42.447 -102.592 1.00 38.42 ? 292 ARG B CB 1 ATOM 4623 C CG . ARG B 1 225 ? -7.942 43.619 -102.907 1.00 41.52 ? 292 ARG B CG 1 ATOM 4624 C CD . ARG B 1 225 ? -8.189 44.390 -101.626 1.00 43.23 ? 292 ARG B CD 1 ATOM 4625 N NE . ARG B 1 225 ? -8.875 45.632 -101.860 1.00 41.96 ? 292 ARG B NE 1 ATOM 4626 C CZ . ARG B 1 225 ? -9.337 46.431 -100.898 1.00 44.91 ? 292 ARG B CZ 1 ATOM 4627 N NH1 . ARG B 1 225 ? -9.176 46.144 -99.629 1.00 45.33 ? 292 ARG B NH1 1 ATOM 4628 N NH2 . ARG B 1 225 ? -9.962 47.556 -101.233 1.00 44.92 ? 292 ARG B NH2 1 ATOM 4629 N N . ASP B 1 226 ? -6.565 42.571 -106.028 1.00 41.14 ? 293 ASP B N 1 ATOM 4630 C CA . ASP B 1 226 ? -6.315 43.561 -107.110 1.00 46.94 ? 293 ASP B CA 1 ATOM 4631 C C . ASP B 1 226 ? -7.390 44.648 -106.910 1.00 46.38 ? 293 ASP B C 1 ATOM 4632 O O . ASP B 1 226 ? -8.591 44.458 -107.011 1.00 52.30 ? 293 ASP B O 1 ATOM 4633 C CB . ASP B 1 226 ? -6.416 42.950 -108.516 1.00 49.54 ? 293 ASP B CB 1 ATOM 4634 C CG . ASP B 1 226 ? -6.001 43.929 -109.655 1.00 51.70 ? 293 ASP B CG 1 ATOM 4635 O OD1 . ASP B 1 226 ? -6.424 45.108 -109.618 1.00 41.99 ? 293 ASP B OD1 1 ATOM 4636 O OD2 . ASP B 1 226 ? -5.271 43.477 -110.608 1.00 51.16 ? 293 ASP B OD2 1 ATOM 4637 N N . ASN B 1 227 ? -6.857 45.768 -106.567 1.00 46.59 ? 294 ASN B N 1 ATOM 4638 C CA . ASN B 1 227 ? -7.484 46.978 -106.168 1.00 55.27 ? 294 ASN B CA 1 ATOM 4639 C C . ASN B 1 227 ? -8.063 47.861 -107.314 1.00 55.34 ? 294 ASN B C 1 ATOM 4640 O O . ASN B 1 227 ? -8.760 48.835 -107.083 1.00 53.73 ? 294 ASN B O 1 ATOM 4641 C CB . ASN B 1 227 ? -6.261 47.729 -105.645 1.00 64.20 ? 294 ASN B CB 1 ATOM 4642 C CG . ASN B 1 227 ? -6.640 48.725 -104.690 1.00 73.06 ? 294 ASN B CG 1 ATOM 4643 O OD1 . ASN B 1 227 ? -7.624 48.539 -103.983 1.00 87.71 ? 294 ASN B OD1 1 ATOM 4644 N ND2 . ASN B 1 227 ? -5.875 49.785 -104.608 1.00 78.54 ? 294 ASN B ND2 1 ATOM 4645 N N . TRP B 1 228 ? -7.672 47.555 -108.534 1.00 49.77 ? 295 TRP B N 1 ATOM 4646 C CA . TRP B 1 228 ? -7.801 48.502 -109.606 1.00 65.17 ? 295 TRP B CA 1 ATOM 4647 C C . TRP B 1 228 ? -8.380 47.938 -110.898 1.00 60.30 ? 295 TRP B C 1 ATOM 4648 O O . TRP B 1 228 ? -9.299 48.506 -111.424 1.00 53.32 ? 295 TRP B O 1 ATOM 4649 C CB . TRP B 1 228 ? -6.455 49.188 -109.901 1.00 72.89 ? 295 TRP B CB 1 ATOM 4650 C CG . TRP B 1 228 ? -6.614 50.390 -110.840 1.00 84.98 ? 295 TRP B CG 1 ATOM 4651 C CD1 . TRP B 1 228 ? -5.968 50.596 -112.025 1.00 90.52 ? 295 TRP B CD1 1 ATOM 4652 C CD2 . TRP B 1 228 ? -7.516 51.503 -110.678 1.00 99.11 ? 295 TRP B CD2 1 ATOM 4653 N NE1 . TRP B 1 228 ? -6.391 51.785 -112.593 1.00 90.09 ? 295 TRP B NE1 1 ATOM 4654 C CE2 . TRP B 1 228 ? -7.339 52.359 -111.791 1.00 96.66 ? 295 TRP B CE2 1 ATOM 4655 C CE3 . TRP B 1 228 ? -8.444 51.868 -109.685 1.00 111.87 ? 295 TRP B CE3 1 ATOM 4656 C CZ2 . TRP B 1 228 ? -8.064 53.565 -111.948 1.00 101.31 ? 295 TRP B CZ2 1 ATOM 4657 C CZ3 . TRP B 1 228 ? -9.159 53.082 -109.833 1.00 110.58 ? 295 TRP B CZ3 1 ATOM 4658 C CH2 . TRP B 1 228 ? -8.962 53.905 -110.962 1.00 104.89 ? 295 TRP B CH2 1 ATOM 4659 N N . LYS B 1 229 ? -7.832 46.843 -111.406 1.00 56.52 ? 296 LYS B N 1 ATOM 4660 C CA . LYS B 1 229 ? -8.244 46.338 -112.715 1.00 60.36 ? 296 LYS B CA 1 ATOM 4661 C C . LYS B 1 229 ? -8.845 44.947 -112.773 1.00 55.11 ? 296 LYS B C 1 ATOM 4662 O O . LYS B 1 229 ? -9.444 44.618 -113.762 1.00 54.82 ? 296 LYS B O 1 ATOM 4663 C CB . LYS B 1 229 ? -7.061 46.382 -113.675 1.00 71.98 ? 296 LYS B CB 1 ATOM 4664 C CG . LYS B 1 229 ? -6.482 47.780 -113.816 1.00 85.25 ? 296 LYS B CG 1 ATOM 4665 C CD . LYS B 1 229 ? -5.941 48.083 -115.213 1.00 103.01 ? 296 LYS B CD 1 ATOM 4666 C CE . LYS B 1 229 ? -4.657 47.297 -115.497 1.00 104.17 ? 296 LYS B CE 1 ATOM 4667 N NZ . LYS B 1 229 ? -4.392 47.190 -116.956 1.00 101.60 ? 296 LYS B NZ 1 ATOM 4668 N N . GLY B 1 230 ? -8.707 44.149 -111.719 1.00 45.83 ? 297 GLY B N 1 ATOM 4669 C CA . GLY B 1 230 ? -9.166 42.796 -111.758 1.00 47.11 ? 297 GLY B CA 1 ATOM 4670 C C . GLY B 1 230 ? -10.100 42.435 -110.601 1.00 43.84 ? 297 GLY B C 1 ATOM 4671 O O . GLY B 1 230 ? -9.831 42.716 -109.453 1.00 47.59 ? 297 GLY B O 1 ATOM 4672 N N . SER B 1 231 ? -11.177 41.741 -110.923 1.00 42.86 ? 298 SER B N 1 ATOM 4673 C CA . SER B 1 231 ? -11.990 41.048 -109.945 1.00 41.66 ? 298 SER B CA 1 ATOM 4674 C C . SER B 1 231 ? -11.520 39.597 -109.782 1.00 41.56 ? 298 SER B C 1 ATOM 4675 O O . SER B 1 231 ? -12.042 38.861 -108.936 1.00 38.59 ? 298 SER B O 1 ATOM 4676 C CB . SER B 1 231 ? -13.482 41.109 -110.333 1.00 46.23 ? 298 SER B CB 1 ATOM 4677 O OG . SER B 1 231 ? -13.723 40.668 -111.668 1.00 40.32 ? 298 SER B OG 1 ATOM 4678 N N . ASN B 1 232 ? -10.584 39.175 -110.637 1.00 39.51 ? 299 ASN B N 1 ATOM 4679 C CA . ASN B 1 232 ? -9.895 37.934 -110.438 1.00 39.10 ? 299 ASN B CA 1 ATOM 4680 C C . ASN B 1 232 ? -8.713 38.215 -109.492 1.00 41.11 ? 299 ASN B C 1 ATOM 4681 O O . ASN B 1 232 ? -8.163 39.303 -109.498 1.00 45.42 ? 299 ASN B O 1 ATOM 4682 C CB . ASN B 1 232 ? -9.467 37.250 -111.735 1.00 41.29 ? 299 ASN B CB 1 ATOM 4683 C CG . ASN B 1 232 ? -8.672 38.160 -112.699 1.00 40.59 ? 299 ASN B CG 1 ATOM 4684 O OD1 . ASN B 1 232 ? -8.757 39.374 -112.676 1.00 41.31 ? 299 ASN B OD1 1 ATOM 4685 N ND2 . ASN B 1 232 ? -7.912 37.536 -113.544 1.00 38.50 ? 299 ASN B ND2 1 ATOM 4686 N N . ARG B 1 233 ? -8.402 37.259 -108.616 1.00 42.03 ? 300 ARG B N 1 ATOM 4687 C CA . ARG B 1 233 ? -7.426 37.500 -107.548 1.00 42.58 ? 300 ARG B CA 1 ATOM 4688 C C . ARG B 1 233 ? -6.005 37.184 -108.020 1.00 39.72 ? 300 ARG B C 1 ATOM 4689 O O . ARG B 1 233 ? -5.749 36.136 -108.616 1.00 42.04 ? 300 ARG B O 1 ATOM 4690 C CB . ARG B 1 233 ? -7.775 36.697 -106.291 1.00 37.15 ? 300 ARG B CB 1 ATOM 4691 C CG . ARG B 1 233 ? -9.021 37.173 -105.574 1.00 38.95 ? 300 ARG B CG 1 ATOM 4692 C CD . ARG B 1 233 ? -9.114 36.603 -104.143 1.00 41.78 ? 300 ARG B CD 1 ATOM 4693 N NE . ARG B 1 233 ? -10.250 37.136 -103.404 1.00 39.07 ? 300 ARG B NE 1 ATOM 4694 C CZ . ARG B 1 233 ? -10.300 38.355 -102.877 1.00 40.49 ? 300 ARG B CZ 1 ATOM 4695 N NH1 . ARG B 1 233 ? -9.259 39.174 -102.942 1.00 37.75 ? 300 ARG B NH1 1 ATOM 4696 N NH2 . ARG B 1 233 ? -11.399 38.774 -102.279 1.00 38.72 ? 300 ARG B NH2 1 ATOM 4697 N N . PRO B 1 234 ? -5.072 38.075 -107.738 1.00 40.34 ? 301 PRO B N 1 ATOM 4698 C CA . PRO B 1 234 ? -3.668 37.769 -107.965 1.00 39.61 ? 301 PRO B CA 1 ATOM 4699 C C . PRO B 1 234 ? -3.137 36.651 -107.071 1.00 40.02 ? 301 PRO B C 1 ATOM 4700 O O . PRO B 1 234 ? -3.590 36.450 -105.964 1.00 43.19 ? 301 PRO B O 1 ATOM 4701 C CB . PRO B 1 234 ? -2.940 39.059 -107.579 1.00 42.66 ? 301 PRO B CB 1 ATOM 4702 C CG . PRO B 1 234 ? -3.997 40.101 -107.448 1.00 43.89 ? 301 PRO B CG 1 ATOM 4703 C CD . PRO B 1 234 ? -5.276 39.405 -107.135 1.00 41.07 ? 301 PRO B CD 1 ATOM 4704 N N . VAL B 1 235 ? -2.147 35.932 -107.577 1.00 40.45 ? 302 VAL B N 1 ATOM 4705 C CA . VAL B 1 235 ? -1.497 34.888 -106.869 1.00 39.65 ? 302 VAL B CA 1 ATOM 4706 C C . VAL B 1 235 ? -0.028 35.173 -106.913 1.00 39.84 ? 302 VAL B C 1 ATOM 4707 O O . VAL B 1 235 ? 0.541 35.385 -107.980 1.00 44.53 ? 302 VAL B O 1 ATOM 4708 C CB . VAL B 1 235 ? -1.786 33.527 -107.525 1.00 40.18 ? 302 VAL B CB 1 ATOM 4709 C CG1 . VAL B 1 235 ? -1.115 32.444 -106.706 1.00 42.45 ? 302 VAL B CG1 1 ATOM 4710 C CG2 . VAL B 1 235 ? -3.272 33.310 -107.553 1.00 46.95 ? 302 VAL B CG2 1 ATOM 4711 N N . ILE B 1 236 ? 0.617 35.082 -105.760 1.00 42.60 ? 303 ILE B N 1 ATOM 4712 C CA . ILE B 1 236 ? 2.093 35.216 -105.691 1.00 36.02 ? 303 ILE B CA 1 ATOM 4713 C C . ILE B 1 236 ? 2.740 33.960 -105.148 1.00 41.51 ? 303 ILE B C 1 ATOM 4714 O O . ILE B 1 236 ? 2.312 33.441 -104.114 1.00 43.40 ? 303 ILE B O 1 ATOM 4715 C CB . ILE B 1 236 ? 2.434 36.387 -104.785 1.00 30.62 ? 303 ILE B CB 1 ATOM 4716 C CG1 . ILE B 1 236 ? 1.791 37.625 -105.413 1.00 34.90 ? 303 ILE B CG1 1 ATOM 4717 C CG2 . ILE B 1 236 ? 3.935 36.653 -104.791 1.00 36.26 ? 303 ILE B CG2 1 ATOM 4718 C CD1 . ILE B 1 236 ? 1.824 38.781 -104.417 1.00 37.61 ? 303 ILE B CD1 1 ATOM 4719 N N . ASP B 1 237 ? 3.783 33.489 -105.837 1.00 42.77 ? 304 ASP B N 1 ATOM 4720 C CA . ASP B 1 237 ? 4.615 32.369 -105.354 1.00 42.51 ? 304 ASP B CA 1 ATOM 4721 C C . ASP B 1 237 ? 5.959 32.845 -104.876 1.00 44.75 ? 304 ASP B C 1 ATOM 4722 O O . ASP B 1 237 ? 6.639 33.610 -105.550 1.00 46.53 ? 304 ASP B O 1 ATOM 4723 C CB . ASP B 1 237 ? 4.813 31.306 -106.406 1.00 47.05 ? 304 ASP B CB 1 ATOM 4724 C CG . ASP B 1 237 ? 3.579 30.426 -106.580 1.00 55.95 ? 304 ASP B CG 1 ATOM 4725 O OD1 . ASP B 1 237 ? 2.884 30.187 -105.593 1.00 70.53 ? 304 ASP B OD1 1 ATOM 4726 O OD2 . ASP B 1 237 ? 3.303 29.956 -107.685 1.00 61.25 ? 304 ASP B OD2 1 ATOM 4727 N N . ILE B 1 238 ? 6.331 32.351 -103.700 1.00 45.02 ? 305 ILE B N 1 ATOM 4728 C CA . ILE B 1 238 ? 7.489 32.830 -102.985 1.00 48.93 ? 305 ILE B CA 1 ATOM 4729 C C . ILE B 1 238 ? 8.400 31.647 -102.684 1.00 48.81 ? 305 ILE B C 1 ATOM 4730 O O . ILE B 1 238 ? 8.048 30.762 -101.933 1.00 47.88 ? 305 ILE B O 1 ATOM 4731 C CB . ILE B 1 238 ? 7.120 33.503 -101.667 1.00 46.29 ? 305 ILE B CB 1 ATOM 4732 C CG1 . ILE B 1 238 ? 6.154 34.649 -101.917 1.00 43.44 ? 305 ILE B CG1 1 ATOM 4733 C CG2 . ILE B 1 238 ? 8.362 33.996 -100.914 1.00 44.60 ? 305 ILE B CG2 1 ATOM 4734 C CD1 . ILE B 1 238 ? 5.702 35.301 -100.629 1.00 40.68 ? 305 ILE B CD1 1 ATOM 4735 N N . ASN B 1 239 ? 9.587 31.672 -103.261 1.00 45.41 ? 306 ASN B N 1 ATOM 4736 C CA . ASN B 1 239 ? 10.559 30.611 -103.013 1.00 46.51 ? 306 ASN B CA 1 ATOM 4737 C C . ASN B 1 239 ? 11.355 30.959 -101.775 1.00 43.94 ? 306 ASN B C 1 ATOM 4738 O O . ASN B 1 239 ? 12.092 31.924 -101.763 1.00 47.41 ? 306 ASN B O 1 ATOM 4739 C CB . ASN B 1 239 ? 11.504 30.476 -104.152 1.00 50.90 ? 306 ASN B CB 1 ATOM 4740 C CG . ASN B 1 239 ? 12.442 29.294 -103.976 1.00 54.65 ? 306 ASN B CG 1 ATOM 4741 O OD1 . ASN B 1 239 ? 13.222 29.199 -103.024 1.00 49.66 ? 306 ASN B OD1 1 ATOM 4742 N ND2 . ASN B 1 239 ? 12.412 28.417 -104.937 1.00 48.48 ? 306 ASN B ND2 1 ATOM 4743 N N . MET B 1 240 ? 11.221 30.152 -100.756 1.00 40.64 ? 307 MET B N 1 ATOM 4744 C CA . MET B 1 240 ? 11.835 30.476 -99.485 1.00 49.27 ? 307 MET B CA 1 ATOM 4745 C C . MET B 1 240 ? 13.310 30.208 -99.299 1.00 52.33 ? 307 MET B C 1 ATOM 4746 O O . MET B 1 240 ? 13.962 30.740 -98.378 1.00 58.90 ? 307 MET B O 1 ATOM 4747 C CB . MET B 1 240 ? 11.130 29.711 -98.397 1.00 48.45 ? 307 MET B CB 1 ATOM 4748 C CG . MET B 1 240 ? 9.694 30.146 -98.268 1.00 48.44 ? 307 MET B CG 1 ATOM 4749 S SD . MET B 1 240 ? 9.464 31.835 -97.709 1.00 50.85 ? 307 MET B SD 1 ATOM 4750 C CE . MET B 1 240 ? 9.865 31.686 -95.954 1.00 47.14 ? 307 MET B CE 1 ATOM 4751 N N . ALA B 1 241 ? 13.838 29.409 -100.187 1.00 56.36 ? 308 ALA B N 1 ATOM 4752 C CA . ALA B 1 241 ? 15.247 29.087 -100.136 1.00 54.71 ? 308 ALA B CA 1 ATOM 4753 C C . ALA B 1 241 ? 16.064 30.157 -100.898 1.00 54.84 ? 308 ALA B C 1 ATOM 4754 O O . ALA B 1 241 ? 17.128 30.528 -100.431 1.00 57.55 ? 308 ALA B O 1 ATOM 4755 C CB . ALA B 1 241 ? 15.450 27.717 -100.760 1.00 45.59 ? 308 ALA B CB 1 ATOM 4756 N N . ASP B 1 242 ? 15.549 30.608 -102.059 1.00 50.68 ? 309 ASP B N 1 ATOM 4757 C CA . ASP B 1 242 ? 16.248 31.467 -103.071 1.00 54.96 ? 309 ASP B CA 1 ATOM 4758 C C . ASP B 1 242 ? 15.781 32.907 -103.096 1.00 49.51 ? 309 ASP B C 1 ATOM 4759 O O . ASP B 1 242 ? 16.297 33.724 -103.854 1.00 48.36 ? 309 ASP B O 1 ATOM 4760 C CB . ASP B 1 242 ? 15.848 31.045 -104.506 1.00 57.06 ? 309 ASP B CB 1 ATOM 4761 C CG . ASP B 1 242 ? 16.085 29.565 -104.823 1.00 66.44 ? 309 ASP B CG 1 ATOM 4762 O OD1 . ASP B 1 242 ? 16.742 28.825 -104.030 1.00 77.86 ? 309 ASP B OD1 1 ATOM 4763 O OD2 . ASP B 1 242 ? 15.640 29.139 -105.918 1.00 56.12 ? 309 ASP B OD2 1 ATOM 4764 N N . TYR B 1 243 ? 14.650 33.145 -102.459 1.00 48.93 ? 310 TYR B N 1 ATOM 4765 C CA . TYR B 1 243 ? 13.980 34.446 -102.465 1.00 46.21 ? 310 TYR B CA 1 ATOM 4766 C C . TYR B 1 243 ? 13.362 34.921 -103.774 1.00 46.56 ? 310 TYR B C 1 ATOM 4767 O O . TYR B 1 243 ? 13.084 36.112 -103.914 1.00 47.96 ? 310 TYR B O 1 ATOM 4768 C CB . TYR B 1 243 ? 14.950 35.516 -101.991 1.00 48.14 ? 310 TYR B CB 1 ATOM 4769 C CG . TYR B 1 243 ? 15.584 35.171 -100.680 1.00 49.35 ? 310 TYR B CG 1 ATOM 4770 C CD1 . TYR B 1 243 ? 14.834 34.618 -99.660 1.00 50.10 ? 310 TYR B CD1 1 ATOM 4771 C CD2 . TYR B 1 243 ? 16.920 35.436 -100.438 1.00 56.25 ? 310 TYR B CD2 1 ATOM 4772 C CE1 . TYR B 1 243 ? 15.391 34.313 -98.434 1.00 53.78 ? 310 TYR B CE1 1 ATOM 4773 C CE2 . TYR B 1 243 ? 17.482 35.178 -99.195 1.00 59.77 ? 310 TYR B CE2 1 ATOM 4774 C CZ . TYR B 1 243 ? 16.695 34.608 -98.209 1.00 54.69 ? 310 TYR B CZ 1 ATOM 4775 O OH . TYR B 1 243 ? 17.211 34.323 -97.012 1.00 59.13 ? 310 TYR B OH 1 ATOM 4776 N N . SER B 1 244 ? 13.190 34.026 -104.730 1.00 42.93 ? 311 SER B N 1 ATOM 4777 C CA . SER B 1 244 ? 12.659 34.415 -106.031 1.00 44.65 ? 311 SER B CA 1 ATOM 4778 C C . SER B 1 244 ? 11.138 34.364 -105.965 1.00 42.24 ? 311 SER B C 1 ATOM 4779 O O . SER B 1 244 ? 10.561 33.634 -105.165 1.00 42.88 ? 311 SER B O 1 ATOM 4780 C CB . SER B 1 244 ? 13.172 33.529 -107.176 1.00 41.06 ? 311 SER B CB 1 ATOM 4781 O OG . SER B 1 244 ? 12.860 32.174 -106.930 1.00 44.86 ? 311 SER B OG 1 ATOM 4782 N N . ILE B 1 245 ? 10.536 35.161 -106.832 1.00 41.14 ? 312 ILE B N 1 ATOM 4783 C CA . ILE B 1 245 ? 9.123 35.475 -106.820 1.00 42.08 ? 312 ILE B CA 1 ATOM 4784 C C . ILE B 1 245 ? 8.522 35.222 -108.196 1.00 39.30 ? 312 ILE B C 1 ATOM 4785 O O . ILE B 1 245 ? 9.115 35.539 -109.188 1.00 39.41 ? 312 ILE B O 1 ATOM 4786 C CB . ILE B 1 245 ? 8.918 36.981 -106.499 1.00 41.40 ? 312 ILE B CB 1 ATOM 4787 C CG1 . ILE B 1 245 ? 9.688 37.390 -105.246 1.00 40.77 ? 312 ILE B CG1 1 ATOM 4788 C CG2 . ILE B 1 245 ? 7.440 37.319 -106.344 1.00 43.35 ? 312 ILE B CG2 1 ATOM 4789 C CD1 . ILE B 1 245 ? 9.219 36.705 -103.974 1.00 44.50 ? 312 ILE B CD1 1 ATOM 4790 N N . ASP B 1 246 ? 7.312 34.715 -108.238 1.00 45.29 ? 313 ASP B N 1 ATOM 4791 C CA . ASP B 1 246 ? 6.492 34.734 -109.465 1.00 46.62 ? 313 ASP B CA 1 ATOM 4792 C C . ASP B 1 246 ? 5.046 35.084 -109.104 1.00 45.54 ? 313 ASP B C 1 ATOM 4793 O O . ASP B 1 246 ? 4.676 35.055 -107.941 1.00 47.08 ? 313 ASP B O 1 ATOM 4794 C CB . ASP B 1 246 ? 6.557 33.398 -110.188 1.00 48.24 ? 313 ASP B CB 1 ATOM 4795 C CG . ASP B 1 246 ? 6.356 33.536 -111.724 1.00 55.05 ? 313 ASP B CG 1 ATOM 4796 O OD1 . ASP B 1 246 ? 6.026 34.621 -112.253 1.00 56.58 ? 313 ASP B OD1 1 ATOM 4797 O OD2 . ASP B 1 246 ? 6.526 32.532 -112.436 1.00 68.10 ? 313 ASP B OD2 1 ATOM 4798 N N . SER B 1 247 ? 4.252 35.465 -110.094 1.00 40.25 ? 314 SER B N 1 ATOM 4799 C CA . SER B 1 247 ? 2.895 35.830 -109.863 1.00 37.30 ? 314 SER B CA 1 ATOM 4800 C C . SER B 1 247 ? 2.029 35.732 -111.133 1.00 42.54 ? 314 SER B C 1 ATOM 4801 O O . SER B 1 247 ? 2.544 35.819 -112.217 1.00 41.11 ? 314 SER B O 1 ATOM 4802 C CB . SER B 1 247 ? 2.823 37.250 -109.323 1.00 42.03 ? 314 SER B CB 1 ATOM 4803 O OG . SER B 1 247 ? 3.225 38.241 -110.283 1.00 41.07 ? 314 SER B OG 1 ATOM 4804 N N . SER B 1 248 ? 0.718 35.608 -110.936 1.00 40.91 ? 315 SER B N 1 ATOM 4805 C CA . SER B 1 248 ? -0.223 35.456 -111.981 1.00 42.43 ? 315 SER B CA 1 ATOM 4806 C C . SER B 1 248 ? -1.591 35.707 -111.326 1.00 41.13 ? 315 SER B C 1 ATOM 4807 O O . SER B 1 248 ? -1.673 36.444 -110.367 1.00 37.45 ? 315 SER B O 1 ATOM 4808 C CB . SER B 1 248 ? -0.100 34.069 -112.586 1.00 43.21 ? 315 SER B CB 1 ATOM 4809 O OG . SER B 1 248 ? -0.346 33.098 -111.595 1.00 49.06 ? 315 SER B OG 1 ATOM 4810 N N . TYR B 1 249 ? -2.669 35.170 -111.907 1.00 40.09 ? 316 TYR B N 1 ATOM 4811 C CA . TYR B 1 249 ? -4.028 35.307 -111.372 1.00 37.70 ? 316 TYR B CA 1 ATOM 4812 C C . TYR B 1 249 ? -4.638 33.917 -111.284 1.00 40.61 ? 316 TYR B C 1 ATOM 4813 O O . TYR B 1 249 ? -4.346 33.052 -112.090 1.00 40.37 ? 316 TYR B O 1 ATOM 4814 C CB . TYR B 1 249 ? -4.885 36.214 -112.247 1.00 38.15 ? 316 TYR B CB 1 ATOM 4815 C CG . TYR B 1 249 ? -4.545 37.675 -112.099 1.00 40.41 ? 316 TYR B CG 1 ATOM 4816 C CD1 . TYR B 1 249 ? -3.451 38.243 -112.777 1.00 41.93 ? 316 TYR B CD1 1 ATOM 4817 C CD2 . TYR B 1 249 ? -5.306 38.505 -111.289 1.00 39.99 ? 316 TYR B CD2 1 ATOM 4818 C CE1 . TYR B 1 249 ? -3.152 39.613 -112.656 1.00 41.35 ? 316 TYR B CE1 1 ATOM 4819 C CE2 . TYR B 1 249 ? -4.995 39.852 -111.146 1.00 39.68 ? 316 TYR B CE2 1 ATOM 4820 C CZ . TYR B 1 249 ? -3.920 40.395 -111.825 1.00 43.03 ? 316 TYR B CZ 1 ATOM 4821 O OH . TYR B 1 249 ? -3.635 41.732 -111.620 1.00 48.63 ? 316 TYR B OH 1 ATOM 4822 N N . VAL B 1 250 ? -5.482 33.738 -110.266 1.00 40.61 ? 317 VAL B N 1 ATOM 4823 C CA . VAL B 1 250 ? -6.294 32.549 -110.083 1.00 39.74 ? 317 VAL B CA 1 ATOM 4824 C C . VAL B 1 250 ? -7.082 32.231 -111.384 1.00 45.05 ? 317 VAL B C 1 ATOM 4825 O O . VAL B 1 250 ? -7.735 33.122 -111.947 1.00 42.43 ? 317 VAL B O 1 ATOM 4826 C CB . VAL B 1 250 ? -7.258 32.718 -108.889 1.00 41.78 ? 317 VAL B CB 1 ATOM 4827 C CG1 . VAL B 1 250 ? -8.157 31.517 -108.763 1.00 42.65 ? 317 VAL B CG1 1 ATOM 4828 C CG2 . VAL B 1 250 ? -6.488 32.914 -107.562 1.00 40.10 ? 317 VAL B CG2 1 ATOM 4829 N N . CYS B 1 251 ? -6.981 30.964 -111.838 1.00 42.89 ? 318 CYS B N 1 ATOM 4830 C CA . CYS B 1 251 ? -7.514 30.509 -113.133 1.00 45.69 ? 318 CYS B CA 1 ATOM 4831 C C . CYS B 1 251 ? -9.048 30.514 -113.211 1.00 48.92 ? 318 CYS B C 1 ATOM 4832 O O . CYS B 1 251 ? -9.613 30.860 -114.227 1.00 44.69 ? 318 CYS B O 1 ATOM 4833 C CB . CYS B 1 251 ? -6.986 29.113 -113.473 1.00 50.20 ? 318 CYS B CB 1 ATOM 4834 S SG . CYS B 1 251 ? -5.267 29.124 -114.096 1.00 61.34 ? 318 CYS B SG 1 ATOM 4835 N N . SER B 1 252 ? -9.686 30.174 -112.090 1.00 45.77 ? 319 SER B N 1 ATOM 4836 C CA . SER B 1 252 ? -11.107 30.054 -111.991 1.00 40.81 ? 319 SER B CA 1 ATOM 4837 C C . SER B 1 252 ? -11.886 31.175 -112.659 1.00 41.81 ? 319 SER B C 1 ATOM 4838 O O . SER B 1 252 ? -11.688 32.341 -112.347 1.00 40.15 ? 319 SER B O 1 ATOM 4839 C CB . SER B 1 252 ? -11.540 29.988 -110.513 1.00 42.93 ? 319 SER B CB 1 ATOM 4840 O OG . SER B 1 252 ? -12.967 29.980 -110.384 1.00 38.17 ? 319 SER B OG 1 ATOM 4841 N N . GLY B 1 253 ? -12.857 30.780 -113.500 1.00 42.25 ? 320 GLY B N 1 ATOM 4842 C CA . GLY B 1 253 ? -13.804 31.716 -114.058 1.00 42.32 ? 320 GLY B CA 1 ATOM 4843 C C . GLY B 1 253 ? -14.837 32.219 -113.043 1.00 42.55 ? 320 GLY B C 1 ATOM 4844 O O . GLY B 1 253 ? -15.514 33.219 -113.291 1.00 43.97 ? 320 GLY B O 1 ATOM 4845 N N . LEU B 1 254 ? -15.007 31.501 -111.934 1.00 41.36 ? 321 LEU B N 1 ATOM 4846 C CA . LEU B 1 254 ? -15.763 32.019 -110.780 1.00 39.87 ? 321 LEU B CA 1 ATOM 4847 C C . LEU B 1 254 ? -14.740 32.832 -109.923 1.00 42.79 ? 321 LEU B C 1 ATOM 4848 O O . LEU B 1 254 ? -13.858 32.270 -109.256 1.00 36.91 ? 321 LEU B O 1 ATOM 4849 C CB . LEU B 1 254 ? -16.413 30.889 -109.980 1.00 37.67 ? 321 LEU B CB 1 ATOM 4850 C CG . LEU B 1 254 ? -17.384 29.971 -110.750 1.00 42.20 ? 321 LEU B CG 1 ATOM 4851 C CD1 . LEU B 1 254 ? -17.894 28.817 -109.912 1.00 38.86 ? 321 LEU B CD1 1 ATOM 4852 C CD2 . LEU B 1 254 ? -18.583 30.736 -111.303 1.00 41.23 ? 321 LEU B CD2 1 ATOM 4853 N N . VAL B 1 255 ? -14.868 34.146 -109.964 1.00 41.07 ? 322 VAL B N 1 ATOM 4854 C CA . VAL B 1 255 ? -13.843 34.997 -109.365 1.00 41.67 ? 322 VAL B CA 1 ATOM 4855 C C . VAL B 1 255 ? -14.193 35.395 -107.933 1.00 40.37 ? 322 VAL B C 1 ATOM 4856 O O . VAL B 1 255 ? -15.331 35.288 -107.517 1.00 37.52 ? 322 VAL B O 1 ATOM 4857 C CB . VAL B 1 255 ? -13.568 36.218 -110.231 1.00 40.84 ? 322 VAL B CB 1 ATOM 4858 C CG1 . VAL B 1 255 ? -13.250 35.780 -111.661 1.00 42.20 ? 322 VAL B CG1 1 ATOM 4859 C CG2 . VAL B 1 255 ? -14.745 37.164 -110.206 1.00 41.23 ? 322 VAL B CG2 1 ATOM 4860 N N . GLY B 1 256 ? -13.173 35.812 -107.184 1.00 41.13 ? 323 GLY B N 1 ATOM 4861 C CA . GLY B 1 256 ? -13.244 35.887 -105.740 1.00 39.97 ? 323 GLY B CA 1 ATOM 4862 C C . GLY B 1 256 ? -13.349 37.269 -105.148 1.00 45.46 ? 323 GLY B C 1 ATOM 4863 O O . GLY B 1 256 ? -13.601 37.405 -103.929 1.00 39.76 ? 323 GLY B O 1 ATOM 4864 N N . ASP B 1 257 ? -13.194 38.294 -105.983 1.00 45.29 ? 324 ASP B N 1 ATOM 4865 C CA . ASP B 1 257 ? -13.276 39.649 -105.475 1.00 44.20 ? 324 ASP B CA 1 ATOM 4866 C C . ASP B 1 257 ? -14.698 40.208 -105.487 1.00 42.99 ? 324 ASP B C 1 ATOM 4867 O O . ASP B 1 257 ? -15.671 39.585 -105.976 1.00 44.22 ? 324 ASP B O 1 ATOM 4868 C CB . ASP B 1 257 ? -12.343 40.577 -106.230 1.00 45.49 ? 324 ASP B CB 1 ATOM 4869 C CG . ASP B 1 257 ? -11.576 41.574 -105.295 1.00 45.42 ? 324 ASP B CG 1 ATOM 4870 O OD1 . ASP B 1 257 ? -11.985 41.775 -104.134 1.00 47.41 ? 324 ASP B OD1 1 ATOM 4871 O OD2 . ASP B 1 257 ? -10.579 42.158 -105.771 1.00 45.23 ? 324 ASP B OD2 1 ATOM 4872 N N . THR B 1 258 ? -14.808 41.369 -104.863 1.00 40.57 ? 325 THR B N 1 ATOM 4873 C CA . THR B 1 258 ? -16.038 42.146 -104.772 1.00 44.21 ? 325 THR B CA 1 ATOM 4874 C C . THR B 1 258 ? -15.664 43.622 -105.002 1.00 42.95 ? 325 THR B C 1 ATOM 4875 O O . THR B 1 258 ? -14.839 44.139 -104.280 1.00 44.70 ? 325 THR B O 1 ATOM 4876 C CB . THR B 1 258 ? -16.690 41.996 -103.369 1.00 46.23 ? 325 THR B CB 1 ATOM 4877 O OG1 . THR B 1 258 ? -16.858 40.589 -103.079 1.00 44.10 ? 325 THR B OG1 1 ATOM 4878 C CG2 . THR B 1 258 ? -18.029 42.698 -103.334 1.00 46.06 ? 325 THR B CG2 1 ATOM 4879 N N . PRO B 1 259 ? -16.258 44.288 -105.997 1.00 41.24 ? 326 PRO B N 1 ATOM 4880 C CA . PRO B 1 259 ? -17.311 43.821 -106.915 1.00 46.32 ? 326 PRO B CA 1 ATOM 4881 C C . PRO B 1 259 ? -16.799 42.913 -108.017 1.00 46.21 ? 326 PRO B C 1 ATOM 4882 O O . PRO B 1 259 ? -15.626 42.647 -108.086 1.00 41.71 ? 326 PRO B O 1 ATOM 4883 C CB . PRO B 1 259 ? -17.890 45.120 -107.515 1.00 44.42 ? 326 PRO B CB 1 ATOM 4884 C CG . PRO B 1 259 ? -16.798 46.102 -107.415 1.00 44.04 ? 326 PRO B CG 1 ATOM 4885 C CD . PRO B 1 259 ? -15.998 45.723 -106.163 1.00 45.44 ? 326 PRO B CD 1 ATOM 4886 N N . ARG B 1 260 ? -17.728 42.354 -108.785 1.00 44.70 ? 327 ARG B N 1 ATOM 4887 C CA . ARG B 1 260 ? -17.396 41.428 -109.854 1.00 44.47 ? 327 ARG B CA 1 ATOM 4888 C C . ARG B 1 260 ? -18.623 41.268 -110.747 1.00 49.24 ? 327 ARG B C 1 ATOM 4889 O O . ARG B 1 260 ? -19.740 41.652 -110.362 1.00 46.14 ? 327 ARG B O 1 ATOM 4890 C CB . ARG B 1 260 ? -16.968 40.070 -109.283 1.00 41.64 ? 327 ARG B CB 1 ATOM 4891 C CG . ARG B 1 260 ? -18.053 39.369 -108.463 1.00 38.98 ? 327 ARG B CG 1 ATOM 4892 C CD . ARG B 1 260 ? -17.670 37.948 -108.071 1.00 37.76 ? 327 ARG B CD 1 ATOM 4893 N NE . ARG B 1 260 ? -18.728 37.317 -107.267 1.00 39.05 ? 327 ARG B NE 1 ATOM 4894 C CZ . ARG B 1 260 ? -18.925 37.458 -105.952 1.00 39.19 ? 327 ARG B CZ 1 ATOM 4895 N NH1 . ARG B 1 260 ? -19.938 36.844 -105.407 1.00 42.30 ? 327 ARG B NH1 1 ATOM 4896 N NH2 . ARG B 1 260 ? -18.145 38.221 -105.176 1.00 41.73 ? 327 ARG B NH2 1 ATOM 4897 N N . ASN B 1 261 ? -18.432 40.700 -111.927 1.00 51.59 ? 328 ASN B N 1 ATOM 4898 C CA . ASN B 1 261 ? -19.566 40.401 -112.798 1.00 49.72 ? 328 ASN B CA 1 ATOM 4899 C C . ASN B 1 261 ? -20.235 39.188 -112.219 1.00 52.48 ? 328 ASN B C 1 ATOM 4900 O O . ASN B 1 261 ? -19.634 38.470 -111.397 1.00 56.70 ? 328 ASN B O 1 ATOM 4901 C CB . ASN B 1 261 ? -19.136 40.060 -114.193 1.00 48.12 ? 328 ASN B CB 1 ATOM 4902 C CG . ASN B 1 261 ? -18.637 41.254 -114.983 1.00 53.71 ? 328 ASN B CG 1 ATOM 4903 O OD1 . ASN B 1 261 ? -18.846 42.411 -114.640 1.00 56.16 ? 328 ASN B OD1 1 ATOM 4904 N ND2 . ASN B 1 261 ? -18.002 40.956 -116.085 1.00 52.23 ? 328 ASN B ND2 1 ATOM 4905 N N . ASP B 1 262 ? -21.477 38.957 -112.651 1.00 49.49 ? 329 ASP B N 1 ATOM 4906 C CA . ASP B 1 262 ? -22.185 37.716 -112.342 1.00 49.48 ? 329 ASP B CA 1 ATOM 4907 C C . ASP B 1 262 ? -21.460 36.519 -112.987 1.00 46.47 ? 329 ASP B C 1 ATOM 4908 O O . ASP B 1 262 ? -20.621 36.691 -113.878 1.00 46.54 ? 329 ASP B O 1 ATOM 4909 C CB . ASP B 1 262 ? -23.627 37.755 -112.836 1.00 59.03 ? 329 ASP B CB 1 ATOM 4910 C CG . ASP B 1 262 ? -23.718 37.659 -114.352 1.00 67.47 ? 329 ASP B CG 1 ATOM 4911 O OD1 . ASP B 1 262 ? -23.846 36.546 -114.897 1.00 76.08 ? 329 ASP B OD1 1 ATOM 4912 O OD2 . ASP B 1 262 ? -23.596 38.703 -114.997 1.00 77.30 ? 329 ASP B OD2 1 ATOM 4913 N N . ASP B 1 263 ? -21.811 35.335 -112.505 1.00 43.02 ? 330 ASP B N 1 ATOM 4914 C CA . ASP B 1 263 ? -21.144 34.094 -112.804 1.00 48.03 ? 330 ASP B CA 1 ATOM 4915 C C . ASP B 1 263 ? -21.156 33.706 -114.279 1.00 53.72 ? 330 ASP B C 1 ATOM 4916 O O . ASP B 1 263 ? -20.303 32.943 -114.727 1.00 46.31 ? 330 ASP B O 1 ATOM 4917 C CB . ASP B 1 263 ? -21.767 32.946 -111.982 1.00 55.39 ? 330 ASP B CB 1 ATOM 4918 C CG . ASP B 1 263 ? -21.357 32.982 -110.475 1.00 60.37 ? 330 ASP B CG 1 ATOM 4919 O OD1 . ASP B 1 263 ? -20.438 33.700 -110.097 1.00 58.24 ? 330 ASP B OD1 1 ATOM 4920 O OD2 . ASP B 1 263 ? -21.958 32.262 -109.657 1.00 61.29 ? 330 ASP B OD2 1 ATOM 4921 N N . SER B 1 264 ? -22.133 34.146 -115.049 1.00 56.11 ? 331 SER B N 1 ATOM 4922 C CA . SER B 1 264 ? -22.114 33.755 -116.460 1.00 62.96 ? 331 SER B CA 1 ATOM 4923 C C . SER B 1 264 ? -21.253 34.675 -117.308 1.00 64.10 ? 331 SER B C 1 ATOM 4924 O O . SER B 1 264 ? -20.802 34.266 -118.357 1.00 70.83 ? 331 SER B O 1 ATOM 4925 C CB . SER B 1 264 ? -23.512 33.553 -117.055 1.00 58.41 ? 331 SER B CB 1 ATOM 4926 O OG . SER B 1 264 ? -24.368 34.549 -116.618 1.00 68.14 ? 331 SER B OG 1 ATOM 4927 N N . SER B 1 265 ? -20.988 35.891 -116.853 1.00 60.84 ? 332 SER B N 1 ATOM 4928 C CA . SER B 1 265 ? -20.161 36.803 -117.645 1.00 56.94 ? 332 SER B CA 1 ATOM 4929 C C . SER B 1 265 ? -18.792 37.130 -117.022 1.00 59.38 ? 332 SER B C 1 ATOM 4930 O O . SER B 1 265 ? -18.056 37.995 -117.523 1.00 58.63 ? 332 SER B O 1 ATOM 4931 C CB . SER B 1 265 ? -20.936 38.081 -117.896 1.00 59.89 ? 332 SER B CB 1 ATOM 4932 O OG . SER B 1 265 ? -21.359 38.605 -116.667 1.00 63.62 ? 332 SER B OG 1 ATOM 4933 N N . SER B 1 266 ? -18.429 36.435 -115.950 1.00 52.55 ? 333 SER B N 1 ATOM 4934 C CA . SER B 1 266 ? -17.155 36.688 -115.316 1.00 52.67 ? 333 SER B CA 1 ATOM 4935 C C . SER B 1 266 ? -16.094 35.839 -116.008 1.00 49.45 ? 333 SER B C 1 ATOM 4936 O O . SER B 1 266 ? -16.389 34.770 -116.527 1.00 47.11 ? 333 SER B O 1 ATOM 4937 C CB . SER B 1 266 ? -17.197 36.378 -113.805 1.00 52.02 ? 333 SER B CB 1 ATOM 4938 O OG . SER B 1 266 ? -17.531 35.022 -113.569 1.00 51.91 ? 333 SER B OG 1 ATOM 4939 N N . SER B 1 267 ? -14.843 36.253 -115.917 1.00 46.74 ? 334 SER B N 1 ATOM 4940 C CA . SER B 1 267 ? -13.778 35.441 -116.508 1.00 51.45 ? 334 SER B CA 1 ATOM 4941 C C . SER B 1 267 ? -12.394 35.667 -115.882 1.00 42.40 ? 334 SER B C 1 ATOM 4942 O O . SER B 1 267 ? -12.153 36.663 -115.214 1.00 43.12 ? 334 SER B O 1 ATOM 4943 C CB . SER B 1 267 ? -13.706 35.719 -118.027 1.00 53.79 ? 334 SER B CB 1 ATOM 4944 O OG . SER B 1 267 ? -13.305 37.046 -118.231 1.00 52.04 ? 334 SER B OG 1 ATOM 4945 N N . SER B 1 268 ? -11.491 34.749 -116.188 1.00 40.46 ? 335 SER B N 1 ATOM 4946 C CA . SER B 1 268 ? -10.067 34.884 -115.897 1.00 44.86 ? 335 SER B CA 1 ATOM 4947 C C . SER B 1 268 ? -9.260 34.117 -116.926 1.00 42.48 ? 335 SER B C 1 ATOM 4948 O O . SER B 1 268 ? -9.622 33.003 -117.286 1.00 47.74 ? 335 SER B O 1 ATOM 4949 C CB . SER B 1 268 ? -9.748 34.343 -114.470 1.00 43.54 ? 335 SER B CB 1 ATOM 4950 O OG . SER B 1 268 ? -8.381 34.491 -114.128 1.00 39.59 ? 335 SER B OG 1 ATOM 4951 N N . ASN B 1 269 ? -8.157 34.694 -117.383 1.00 48.75 ? 336 ASN B N 1 ATOM 4952 C CA . ASN B 1 269 ? -7.242 33.960 -118.297 1.00 55.93 ? 336 ASN B CA 1 ATOM 4953 C C . ASN B 1 269 ? -5.932 33.503 -117.625 1.00 58.27 ? 336 ASN B C 1 ATOM 4954 O O . ASN B 1 269 ? -5.003 33.180 -118.316 1.00 55.73 ? 336 ASN B O 1 ATOM 4955 C CB . ASN B 1 269 ? -6.899 34.809 -119.518 1.00 55.83 ? 336 ASN B CB 1 ATOM 4956 C CG . ASN B 1 269 ? -5.966 35.961 -119.181 1.00 61.80 ? 336 ASN B CG 1 ATOM 4957 O OD1 . ASN B 1 269 ? -5.586 36.160 -118.026 1.00 67.75 ? 336 ASN B OD1 1 ATOM 4958 N ND2 . ASN B 1 269 ? -5.594 36.724 -120.181 1.00 59.27 ? 336 ASN B ND2 1 ATOM 4959 N N . CYS B 1 270 ? -5.876 33.510 -116.290 1.00 53.43 ? 337 CYS B N 1 ATOM 4960 C CA . CYS B 1 270 ? -4.694 33.055 -115.500 1.00 60.02 ? 337 CYS B CA 1 ATOM 4961 C C . CYS B 1 270 ? -3.532 34.024 -115.492 1.00 49.97 ? 337 CYS B C 1 ATOM 4962 O O . CYS B 1 270 ? -2.667 33.899 -114.670 1.00 53.80 ? 337 CYS B O 1 ATOM 4963 C CB . CYS B 1 270 ? -4.151 31.632 -115.869 1.00 61.99 ? 337 CYS B CB 1 ATOM 4964 S SG . CYS B 1 270 ? -5.390 30.299 -115.910 1.00 82.42 ? 337 CYS B SG 1 ATOM 4965 N N . ARG B 1 271 ? -3.519 34.997 -116.375 1.00 55.05 ? 338 ARG B N 1 ATOM 4966 C CA . ARG B 1 271 ? -2.322 35.774 -116.599 1.00 53.91 ? 338 ARG B CA 1 ATOM 4967 C C . ARG B 1 271 ? -2.511 37.283 -116.306 1.00 53.35 ? 338 ARG B C 1 ATOM 4968 O O . ARG B 1 271 ? -1.636 37.930 -115.731 1.00 56.02 ? 338 ARG B O 1 ATOM 4969 C CB . ARG B 1 271 ? -1.841 35.549 -118.020 1.00 57.78 ? 338 ARG B CB 1 ATOM 4970 C CG . ARG B 1 271 ? -0.367 35.904 -118.194 1.00 74.70 ? 338 ARG B CG 1 ATOM 4971 C CD . ARG B 1 271 ? 0.113 35.926 -119.649 1.00 85.02 ? 338 ARG B CD 1 ATOM 4972 N NE . ARG B 1 271 ? -0.530 37.028 -120.398 1.00 98.04 ? 338 ARG B NE 1 ATOM 4973 C CZ . ARG B 1 271 ? -1.033 36.960 -121.642 1.00 96.67 ? 338 ARG B CZ 1 ATOM 4974 N NH1 . ARG B 1 271 ? -0.999 35.835 -122.355 1.00 93.38 ? 338 ARG B NH1 1 ATOM 4975 N NH2 . ARG B 1 271 ? -1.585 38.049 -122.178 1.00 88.66 ? 338 ARG B NH2 1 ATOM 4976 N N . ASP B 1 272 ? -3.662 37.827 -116.681 1.00 50.71 ? 339 ASP B N 1 ATOM 4977 C CA . ASP B 1 272 ? -3.919 39.254 -116.585 1.00 52.71 ? 339 ASP B CA 1 ATOM 4978 C C . ASP B 1 272 ? -5.136 39.584 -115.718 1.00 52.14 ? 339 ASP B C 1 ATOM 4979 O O . ASP B 1 272 ? -6.047 38.754 -115.552 1.00 48.09 ? 339 ASP B O 1 ATOM 4980 C CB . ASP B 1 272 ? -4.158 39.814 -117.994 1.00 55.50 ? 339 ASP B CB 1 ATOM 4981 C CG . ASP B 1 272 ? -3.061 39.397 -118.995 1.00 58.54 ? 339 ASP B CG 1 ATOM 4982 O OD1 . ASP B 1 272 ? -1.853 39.579 -118.701 1.00 63.25 ? 339 ASP B OD1 1 ATOM 4983 O OD2 . ASP B 1 272 ? -3.411 38.827 -120.040 1.00 61.37 ? 339 ASP B OD2 1 ATOM 4984 N N . PRO B 1 273 ? -5.175 40.818 -115.200 1.00 48.41 ? 340 PRO B N 1 ATOM 4985 C CA . PRO B 1 273 ? -6.413 41.267 -114.592 1.00 50.61 ? 340 PRO B CA 1 ATOM 4986 C C . PRO B 1 273 ? -7.508 41.300 -115.655 1.00 50.06 ? 340 PRO B C 1 ATOM 4987 O O . PRO B 1 273 ? -7.208 41.588 -116.806 1.00 50.13 ? 340 PRO B O 1 ATOM 4988 C CB . PRO B 1 273 ? -6.107 42.687 -114.138 1.00 52.26 ? 340 PRO B CB 1 ATOM 4989 C CG . PRO B 1 273 ? -4.894 43.102 -114.909 1.00 48.58 ? 340 PRO B CG 1 ATOM 4990 C CD . PRO B 1 273 ? -4.168 41.881 -115.310 1.00 47.47 ? 340 PRO B CD 1 ATOM 4991 N N . ASN B 1 274 ? -8.726 40.935 -115.271 1.00 45.75 ? 341 ASN B N 1 ATOM 4992 C CA . ASN B 1 274 ? -9.798 40.685 -116.194 1.00 44.68 ? 341 ASN B CA 1 ATOM 4993 C C . ASN B 1 274 ? -10.527 41.930 -116.632 1.00 46.43 ? 341 ASN B C 1 ATOM 4994 O O . ASN B 1 274 ? -11.355 41.837 -117.494 1.00 52.48 ? 341 ASN B O 1 ATOM 4995 C CB . ASN B 1 274 ? -10.786 39.653 -115.639 1.00 43.48 ? 341 ASN B CB 1 ATOM 4996 C CG . ASN B 1 274 ? -11.476 40.107 -114.342 1.00 44.16 ? 341 ASN B CG 1 ATOM 4997 O OD1 . ASN B 1 274 ? -11.366 41.255 -113.902 1.00 43.49 ? 341 ASN B OD1 1 ATOM 4998 N ND2 . ASN B 1 274 ? -12.198 39.198 -113.743 1.00 39.26 ? 341 ASN B ND2 1 ATOM 4999 N N . ASN B 1 275 ? -10.195 43.084 -116.064 1.00 48.57 ? 342 ASN B N 1 ATOM 5000 C CA . ASN B 1 275 ? -10.878 44.356 -116.361 1.00 51.85 ? 342 ASN B CA 1 ATOM 5001 C C . ASN B 1 275 ? -12.381 44.386 -116.149 1.00 51.64 ? 342 ASN B C 1 ATOM 5002 O O . ASN B 1 275 ? -13.096 45.137 -116.820 1.00 51.43 ? 342 ASN B O 1 ATOM 5003 C CB . ASN B 1 275 ? -10.564 44.879 -117.767 1.00 57.34 ? 342 ASN B CB 1 ATOM 5004 C CG . ASN B 1 275 ? -9.155 45.365 -117.870 1.00 67.45 ? 342 ASN B CG 1 ATOM 5005 O OD1 . ASN B 1 275 ? -8.750 46.285 -117.154 1.00 85.02 ? 342 ASN B OD1 1 ATOM 5006 N ND2 . ASN B 1 275 ? -8.359 44.692 -118.676 1.00 68.21 ? 342 ASN B ND2 1 ATOM 5007 N N . GLU B 1 276 ? -12.850 43.601 -115.198 1.00 50.70 ? 343 GLU B N 1 ATOM 5008 C CA . GLU B 1 276 ? -14.277 43.511 -114.907 1.00 47.49 ? 343 GLU B CA 1 ATOM 5009 C C . GLU B 1 276 ? -14.471 43.987 -113.459 1.00 48.57 ? 343 GLU B C 1 ATOM 5010 O O . GLU B 1 276 ? -14.154 43.257 -112.503 1.00 52.86 ? 343 GLU B O 1 ATOM 5011 C CB . GLU B 1 276 ? -14.757 42.068 -115.066 1.00 53.64 ? 343 GLU B CB 1 ATOM 5012 C CG . GLU B 1 276 ? -14.571 41.470 -116.454 1.00 55.64 ? 343 GLU B CG 1 ATOM 5013 C CD . GLU B 1 276 ? -14.620 39.933 -116.489 1.00 61.92 ? 343 GLU B CD 1 ATOM 5014 O OE1 . GLU B 1 276 ? -14.931 39.251 -115.465 1.00 56.18 ? 343 GLU B OE1 1 ATOM 5015 O OE2 . GLU B 1 276 ? -14.370 39.366 -117.589 1.00 64.02 ? 343 GLU B OE2 1 ATOM 5016 N N . ARG B 1 277 ? -14.898 45.237 -113.311 1.00 46.81 ? 344 ARG B N 1 ATOM 5017 C CA . ARG B 1 277 ? -15.286 45.825 -112.037 1.00 47.67 ? 344 ARG B CA 1 ATOM 5018 C C . ARG B 1 277 ? -14.173 45.692 -111.008 1.00 50.98 ? 344 ARG B C 1 ATOM 5019 O O . ARG B 1 277 ? -14.354 45.153 -109.902 1.00 53.38 ? 344 ARG B O 1 ATOM 5020 C CB . ARG B 1 277 ? -16.584 45.148 -111.556 1.00 46.98 ? 344 ARG B CB 1 ATOM 5021 C CG . ARG B 1 277 ? -17.717 45.309 -112.524 1.00 50.02 ? 344 ARG B CG 1 ATOM 5022 C CD . ARG B 1 277 ? -19.029 44.801 -111.959 1.00 51.89 ? 344 ARG B CD 1 ATOM 5023 N NE . ARG B 1 277 ? -19.619 45.743 -111.014 1.00 50.57 ? 344 ARG B NE 1 ATOM 5024 C CZ . ARG B 1 277 ? -20.568 45.426 -110.118 1.00 54.04 ? 344 ARG B CZ 1 ATOM 5025 N NH1 . ARG B 1 277 ? -21.011 44.177 -109.949 1.00 54.56 ? 344 ARG B NH1 1 ATOM 5026 N NH2 . ARG B 1 277 ? -21.063 46.355 -109.336 1.00 50.31 ? 344 ARG B NH2 1 ATOM 5027 N N . GLY B 1 278 ? -13.001 46.114 -111.419 1.00 50.08 ? 345 GLY B N 1 ATOM 5028 C CA . GLY B 1 278 ? -11.781 45.845 -110.686 1.00 51.47 ? 345 GLY B CA 1 ATOM 5029 C C . GLY B 1 278 ? -11.630 46.570 -109.352 1.00 54.98 ? 345 GLY B C 1 ATOM 5030 O O . GLY B 1 278 ? -10.862 46.147 -108.503 1.00 57.91 ? 345 GLY B O 1 ATOM 5031 N N . ASN B 1 279 ? -12.400 47.624 -109.147 1.00 57.79 ? 346 ASN B N 1 ATOM 5032 C CA . ASN B 1 279 ? -12.251 48.539 -108.041 1.00 56.28 ? 346 ASN B CA 1 ATOM 5033 C C . ASN B 1 279 ? -13.450 48.566 -107.121 1.00 51.76 ? 346 ASN B C 1 ATOM 5034 O O . ASN B 1 279 ? -14.524 48.506 -107.603 1.00 53.86 ? 346 ASN B O 1 ATOM 5035 C CB . ASN B 1 279 ? -12.104 49.877 -108.784 1.00 67.86 ? 346 ASN B CB 1 ATOM 5036 C CG . ASN B 1 279 ? -12.377 51.062 -107.946 1.00 77.58 ? 346 ASN B CG 1 ATOM 5037 O OD1 . ASN B 1 279 ? -13.376 51.757 -108.126 1.00 91.62 ? 346 ASN B OD1 1 ATOM 5038 N ND2 . ASN B 1 279 ? -11.447 51.354 -107.061 1.00 81.67 ? 346 ASN B ND2 1 ATOM 5039 N N . PRO B 1 280 ? -13.272 48.653 -105.786 1.00 49.96 ? 347 PRO B N 1 ATOM 5040 C CA . PRO B 1 280 ? -12.042 48.682 -104.991 1.00 48.57 ? 347 PRO B CA 1 ATOM 5041 C C . PRO B 1 280 ? -11.523 47.314 -104.525 1.00 48.00 ? 347 PRO B C 1 ATOM 5042 O O . PRO B 1 280 ? -10.422 47.235 -103.972 1.00 52.88 ? 347 PRO B O 1 ATOM 5043 C CB . PRO B 1 280 ? -12.476 49.451 -103.718 1.00 50.90 ? 347 PRO B CB 1 ATOM 5044 C CG . PRO B 1 280 ? -13.888 48.974 -103.508 1.00 53.46 ? 347 PRO B CG 1 ATOM 5045 C CD . PRO B 1 280 ? -14.465 48.828 -104.910 1.00 55.50 ? 347 PRO B CD 1 ATOM 5046 N N . GLY B 1 281 ? -12.316 46.266 -104.678 1.00 42.83 ? 348 GLY B N 1 ATOM 5047 C CA . GLY B 1 281 ? -11.946 44.948 -104.169 1.00 39.64 ? 348 GLY B CA 1 ATOM 5048 C C . GLY B 1 281 ? -12.124 44.799 -102.657 1.00 42.36 ? 348 GLY B C 1 ATOM 5049 O O . GLY B 1 281 ? -12.443 45.750 -101.956 1.00 37.72 ? 348 GLY B O 1 ATOM 5050 N N . VAL B 1 282 ? -11.830 43.601 -102.183 1.00 41.33 ? 349 VAL B N 1 ATOM 5051 C CA . VAL B 1 282 ? -11.884 43.283 -100.795 1.00 40.25 ? 349 VAL B CA 1 ATOM 5052 C C . VAL B 1 282 ? -10.867 42.173 -100.485 1.00 39.61 ? 349 VAL B C 1 ATOM 5053 O O . VAL B 1 282 ? -10.564 41.342 -101.333 1.00 37.65 ? 349 VAL B O 1 ATOM 5054 C CB . VAL B 1 282 ? -13.297 42.818 -100.385 1.00 39.38 ? 349 VAL B CB 1 ATOM 5055 C CG1 . VAL B 1 282 ? -13.613 41.455 -100.945 1.00 38.72 ? 349 VAL B CG1 1 ATOM 5056 C CG2 . VAL B 1 282 ? -13.458 42.757 -98.863 1.00 40.08 ? 349 VAL B CG2 1 ATOM 5057 N N . LYS B 1 283 ? -10.295 42.182 -99.274 1.00 38.03 ? 350 LYS B N 1 ATOM 5058 C CA . LYS B 1 283 ? -9.371 41.124 -98.904 1.00 35.06 ? 350 LYS B CA 1 ATOM 5059 C C . LYS B 1 283 ? -10.093 39.779 -98.853 1.00 37.07 ? 350 LYS B C 1 ATOM 5060 O O . LYS B 1 283 ? -11.187 39.657 -98.275 1.00 35.25 ? 350 LYS B O 1 ATOM 5061 C CB . LYS B 1 283 ? -8.733 41.413 -97.544 1.00 40.05 ? 350 LYS B CB 1 ATOM 5062 C CG . LYS B 1 283 ? -7.733 40.361 -97.110 1.00 39.15 ? 350 LYS B CG 1 ATOM 5063 C CD . LYS B 1 283 ? -7.268 40.581 -95.691 1.00 47.46 ? 350 LYS B CD 1 ATOM 5064 C CE . LYS B 1 283 ? -6.444 39.402 -95.174 1.00 46.24 ? 350 LYS B CE 1 ATOM 5065 N NZ . LYS B 1 283 ? -5.142 39.223 -95.876 1.00 44.71 ? 350 LYS B NZ 1 ATOM 5066 N N . GLY B 1 284 ? -9.464 38.767 -99.439 1.00 32.19 ? 351 GLY B N 1 ATOM 5067 C CA . GLY B 1 284 ? -9.984 37.426 -99.419 1.00 31.82 ? 351 GLY B CA 1 ATOM 5068 C C . GLY B 1 284 ? -8.871 36.404 -99.610 1.00 34.14 ? 351 GLY B C 1 ATOM 5069 O O . GLY B 1 284 ? -7.693 36.729 -99.457 1.00 38.07 ? 351 GLY B O 1 ATOM 5070 N N . TRP B 1 285 ? -9.254 35.148 -99.883 1.00 34.38 ? 352 TRP B N 1 ATOM 5071 C CA . TRP B 1 285 ? -8.337 34.023 -99.890 1.00 32.48 ? 352 TRP B CA 1 ATOM 5072 C C . TRP B 1 285 ? -8.770 32.944 -100.881 1.00 36.74 ? 352 TRP B C 1 ATOM 5073 O O . TRP B 1 285 ? -9.938 32.868 -101.327 1.00 30.60 ? 352 TRP B O 1 ATOM 5074 C CB . TRP B 1 285 ? -8.209 33.392 -98.488 1.00 34.18 ? 352 TRP B CB 1 ATOM 5075 C CG . TRP B 1 285 ? -9.480 32.831 -97.994 1.00 35.26 ? 352 TRP B CG 1 ATOM 5076 C CD1 . TRP B 1 285 ? -10.425 33.487 -97.274 1.00 37.49 ? 352 TRP B CD1 1 ATOM 5077 C CD2 . TRP B 1 285 ? -9.973 31.506 -98.196 1.00 35.83 ? 352 TRP B CD2 1 ATOM 5078 N NE1 . TRP B 1 285 ? -11.513 32.663 -97.047 1.00 37.54 ? 352 TRP B NE1 1 ATOM 5079 C CE2 . TRP B 1 285 ? -11.257 31.440 -97.607 1.00 34.46 ? 352 TRP B CE2 1 ATOM 5080 C CE3 . TRP B 1 285 ? -9.491 30.388 -98.874 1.00 37.15 ? 352 TRP B CE3 1 ATOM 5081 C CZ2 . TRP B 1 285 ? -12.032 30.304 -97.649 1.00 33.85 ? 352 TRP B CZ2 1 ATOM 5082 C CZ3 . TRP B 1 285 ? -10.306 29.234 -98.926 1.00 35.52 ? 352 TRP B CZ3 1 ATOM 5083 C CH2 . TRP B 1 285 ? -11.531 29.209 -98.309 1.00 35.44 ? 352 TRP B CH2 1 ATOM 5084 N N . ALA B 1 286 ? -7.810 32.068 -101.168 1.00 33.39 ? 353 ALA B N 1 ATOM 5085 C CA . ALA B 1 286 ? -8.038 30.842 -101.923 1.00 35.63 ? 353 ALA B CA 1 ATOM 5086 C C . ALA B 1 286 ? -6.837 29.923 -101.714 1.00 35.73 ? 353 ALA B C 1 ATOM 5087 O O . ALA B 1 286 ? -5.770 30.395 -101.368 1.00 35.11 ? 353 ALA B O 1 ATOM 5088 C CB . ALA B 1 286 ? -8.232 31.116 -103.399 1.00 34.14 ? 353 ALA B CB 1 ATOM 5089 N N . PHE B 1 287 ? -7.029 28.621 -101.933 1.00 35.45 ? 354 PHE B N 1 ATOM 5090 C CA . PHE B 1 287 ? -5.920 27.714 -101.988 1.00 37.46 ? 354 PHE B CA 1 ATOM 5091 C C . PHE B 1 287 ? -6.115 26.566 -102.969 1.00 38.86 ? 354 PHE B C 1 ATOM 5092 O O . PHE B 1 287 ? -7.217 26.194 -103.312 1.00 42.15 ? 354 PHE B O 1 ATOM 5093 C CB . PHE B 1 287 ? -5.485 27.253 -100.594 1.00 35.23 ? 354 PHE B CB 1 ATOM 5094 C CG . PHE B 1 287 ? -6.453 26.322 -99.926 1.00 37.74 ? 354 PHE B CG 1 ATOM 5095 C CD1 . PHE B 1 287 ? -7.499 26.846 -99.140 1.00 34.00 ? 354 PHE B CD1 1 ATOM 5096 C CD2 . PHE B 1 287 ? -6.311 24.942 -100.043 1.00 36.21 ? 354 PHE B CD2 1 ATOM 5097 C CE1 . PHE B 1 287 ? -8.340 25.999 -98.484 1.00 33.22 ? 354 PHE B CE1 1 ATOM 5098 C CE2 . PHE B 1 287 ? -7.193 24.072 -99.394 1.00 35.02 ? 354 PHE B CE2 1 ATOM 5099 C CZ . PHE B 1 287 ? -8.217 24.605 -98.623 1.00 33.31 ? 354 PHE B CZ 1 ATOM 5100 N N . ASP B 1 288 ? -4.983 26.041 -103.435 1.00 41.46 ? 355 ASP B N 1 ATOM 5101 C CA . ASP B 1 288 ? -4.952 24.983 -104.446 1.00 43.28 ? 355 ASP B CA 1 ATOM 5102 C C . ASP B 1 288 ? -5.010 23.619 -103.791 1.00 44.92 ? 355 ASP B C 1 ATOM 5103 O O . ASP B 1 288 ? -4.428 23.392 -102.734 1.00 43.17 ? 355 ASP B O 1 ATOM 5104 C CB . ASP B 1 288 ? -3.686 25.093 -105.309 1.00 41.75 ? 355 ASP B CB 1 ATOM 5105 C CG . ASP B 1 288 ? -2.389 24.878 -104.483 1.00 45.12 ? 355 ASP B CG 1 ATOM 5106 O OD1 . ASP B 1 288 ? -2.012 25.730 -103.627 1.00 49.67 ? 355 ASP B OD1 1 ATOM 5107 O OD2 . ASP B 1 288 ? -1.786 23.826 -104.671 1.00 40.34 ? 355 ASP B OD2 1 ATOM 5108 N N . ASN B 1 289 ? -5.705 22.708 -104.451 1.00 48.33 ? 356 ASN B N 1 ATOM 5109 C CA . ASN B 1 289 ? -5.568 21.269 -104.212 1.00 48.06 ? 356 ASN B CA 1 ATOM 5110 C C . ASN B 1 289 ? -5.495 20.538 -105.563 1.00 46.67 ? 356 ASN B C 1 ATOM 5111 O O . ASN B 1 289 ? -6.522 20.236 -106.188 1.00 37.44 ? 356 ASN B O 1 ATOM 5112 C CB . ASN B 1 289 ? -6.730 20.749 -103.390 1.00 53.43 ? 356 ASN B CB 1 ATOM 5113 C CG . ASN B 1 289 ? -6.504 19.318 -102.911 1.00 56.78 ? 356 ASN B CG 1 ATOM 5114 O OD1 . ASN B 1 289 ? -7.336 18.461 -103.136 1.00 57.35 ? 356 ASN B OD1 1 ATOM 5115 N ND2 . ASN B 1 289 ? -5.373 19.055 -102.297 1.00 52.49 ? 356 ASN B ND2 1 ATOM 5116 N N . GLY B 1 290 ? -4.261 20.313 -106.009 1.00 48.34 ? 357 GLY B N 1 ATOM 5117 C CA . GLY B 1 290 ? -3.972 19.778 -107.359 1.00 48.76 ? 357 GLY B CA 1 ATOM 5118 C C . GLY B 1 290 ? -4.454 20.728 -108.441 1.00 47.56 ? 357 GLY B C 1 ATOM 5119 O O . GLY B 1 290 ? -4.000 21.844 -108.515 1.00 52.11 ? 357 GLY B O 1 ATOM 5120 N N . ASN B 1 291 ? -5.412 20.279 -109.246 1.00 49.21 ? 358 ASN B N 1 ATOM 5121 C CA . ASN B 1 291 ? -6.024 21.112 -110.279 1.00 52.08 ? 358 ASN B CA 1 ATOM 5122 C C . ASN B 1 291 ? -7.190 21.958 -109.792 1.00 48.03 ? 358 ASN B C 1 ATOM 5123 O O . ASN B 1 291 ? -7.634 22.849 -110.504 1.00 46.41 ? 358 ASN B O 1 ATOM 5124 C CB . ASN B 1 291 ? -6.493 20.223 -111.431 1.00 52.92 ? 358 ASN B CB 1 ATOM 5125 C CG . ASN B 1 291 ? -5.316 19.594 -112.181 1.00 52.68 ? 358 ASN B CG 1 ATOM 5126 O OD1 . ASN B 1 291 ? -4.353 20.257 -112.529 1.00 53.47 ? 358 ASN B OD1 1 ATOM 5127 N ND2 . ASN B 1 291 ? -5.382 18.331 -112.383 1.00 52.43 ? 358 ASN B ND2 1 ATOM 5128 N N . ASP B 1 292 ? -7.654 21.661 -108.578 1.00 45.99 ? 359 ASP B N 1 ATOM 5129 C CA . ASP B 1 292 ? -8.815 22.322 -107.988 1.00 48.18 ? 359 ASP B CA 1 ATOM 5130 C C . ASP B 1 292 ? -8.409 23.524 -107.133 1.00 46.29 ? 359 ASP B C 1 ATOM 5131 O O . ASP B 1 292 ? -7.268 23.610 -106.694 1.00 48.01 ? 359 ASP B O 1 ATOM 5132 C CB . ASP B 1 292 ? -9.608 21.329 -107.140 1.00 48.99 ? 359 ASP B CB 1 ATOM 5133 C CG . ASP B 1 292 ? -10.181 20.148 -107.958 1.00 51.51 ? 359 ASP B CG 1 ATOM 5134 O OD1 . ASP B 1 292 ? -10.063 20.103 -109.224 1.00 49.58 ? 359 ASP B OD1 1 ATOM 5135 O OD2 . ASP B 1 292 ? -10.764 19.251 -107.309 1.00 51.05 ? 359 ASP B OD2 1 ATOM 5136 N N . VAL B 1 293 ? -9.339 24.472 -106.971 1.00 41.74 ? 360 VAL B N 1 ATOM 5137 C CA . VAL B 1 293 ? -9.195 25.545 -106.004 1.00 46.79 ? 360 VAL B CA 1 ATOM 5138 C C . VAL B 1 293 ? -10.328 25.490 -104.986 1.00 42.97 ? 360 VAL B C 1 ATOM 5139 O O . VAL B 1 293 ? -11.468 25.316 -105.380 1.00 41.22 ? 360 VAL B O 1 ATOM 5140 C CB . VAL B 1 293 ? -9.503 26.992 -106.464 1.00 44.19 ? 360 VAL B CB 1 ATOM 5141 C CG1 . VAL B 1 293 ? -8.394 27.898 -106.039 1.00 42.96 ? 360 VAL B CG1 1 ATOM 5142 C CG2 . VAL B 1 293 ? -9.914 27.098 -107.888 1.00 42.56 ? 360 VAL B CG2 1 ATOM 5143 N N . TRP B 1 294 ? -9.992 25.777 -103.732 1.00 37.17 ? 361 TRP B N 1 ATOM 5144 C CA . TRP B 1 294 ? -10.956 26.116 -102.689 1.00 40.18 ? 361 TRP B CA 1 ATOM 5145 C C . TRP B 1 294 ? -10.864 27.613 -102.442 1.00 37.14 ? 361 TRP B C 1 ATOM 5146 O O . TRP B 1 294 ? -9.788 28.176 -102.402 1.00 36.67 ? 361 TRP B O 1 ATOM 5147 C CB . TRP B 1 294 ? -10.622 25.419 -101.372 1.00 39.03 ? 361 TRP B CB 1 ATOM 5148 C CG . TRP B 1 294 ? -10.949 24.003 -101.286 1.00 39.00 ? 361 TRP B CG 1 ATOM 5149 C CD1 . TRP B 1 294 ? -10.084 22.954 -101.419 1.00 40.46 ? 361 TRP B CD1 1 ATOM 5150 C CD2 . TRP B 1 294 ? -12.219 23.425 -100.955 1.00 39.36 ? 361 TRP B CD2 1 ATOM 5151 N NE1 . TRP B 1 294 ? -10.745 21.774 -101.270 1.00 40.81 ? 361 TRP B NE1 1 ATOM 5152 C CE2 . TRP B 1 294 ? -12.057 22.029 -100.982 1.00 36.57 ? 361 TRP B CE2 1 ATOM 5153 C CE3 . TRP B 1 294 ? -13.481 23.952 -100.672 1.00 36.85 ? 361 TRP B CE3 1 ATOM 5154 C CZ2 . TRP B 1 294 ? -13.067 21.159 -100.680 1.00 38.01 ? 361 TRP B CZ2 1 ATOM 5155 C CZ3 . TRP B 1 294 ? -14.519 23.074 -100.474 1.00 32.94 ? 361 TRP B CZ3 1 ATOM 5156 C CH2 . TRP B 1 294 ? -14.303 21.693 -100.444 1.00 36.48 ? 361 TRP B CH2 1 ATOM 5157 N N . MET B 1 295 ? -11.997 28.258 -102.311 1.00 37.91 ? 362 MET B N 1 ATOM 5158 C CA . MET B 1 295 ? -12.025 29.693 -102.193 1.00 41.09 ? 362 MET B CA 1 ATOM 5159 C C . MET B 1 295 ? -13.261 30.154 -101.436 1.00 37.45 ? 362 MET B C 1 ATOM 5160 O O . MET B 1 295 ? -14.239 29.466 -101.416 1.00 38.97 ? 362 MET B O 1 ATOM 5161 C CB . MET B 1 295 ? -11.971 30.380 -103.576 1.00 41.26 ? 362 MET B CB 1 ATOM 5162 C CG . MET B 1 295 ? -12.977 29.868 -104.602 1.00 46.71 ? 362 MET B CG 1 ATOM 5163 S SD . MET B 1 295 ? -12.870 30.720 -106.226 1.00 46.74 ? 362 MET B SD 1 ATOM 5164 C CE . MET B 1 295 ? -13.784 32.204 -105.833 1.00 49.93 ? 362 MET B CE 1 ATOM 5165 N N . GLY B 1 296 ? -13.158 31.343 -100.845 1.00 38.73 ? 363 GLY B N 1 ATOM 5166 C CA . GLY B 1 296 ? -14.276 32.074 -100.328 1.00 40.52 ? 363 GLY B CA 1 ATOM 5167 C C . GLY B 1 296 ? -14.585 33.347 -101.108 1.00 38.46 ? 363 GLY B C 1 ATOM 5168 O O . GLY B 1 296 ? -13.758 33.843 -101.846 1.00 43.27 ? 363 GLY B O 1 ATOM 5169 N N . ARG B 1 297 ? -15.806 33.852 -100.958 1.00 34.08 ? 364 ARG B N 1 ATOM 5170 C CA . ARG B 1 297 ? -16.143 35.175 -101.442 1.00 35.49 ? 364 ARG B CA 1 ATOM 5171 C C . ARG B 1 297 ? -17.446 35.660 -100.835 1.00 37.53 ? 364 ARG B C 1 ATOM 5172 O O . ARG B 1 297 ? -18.198 34.884 -100.263 1.00 37.79 ? 364 ARG B O 1 ATOM 5173 C CB . ARG B 1 297 ? -16.252 35.179 -102.936 1.00 37.97 ? 364 ARG B CB 1 ATOM 5174 C CG . ARG B 1 297 ? -17.397 34.348 -103.449 1.00 37.84 ? 364 ARG B CG 1 ATOM 5175 C CD . ARG B 1 297 ? -17.294 34.216 -104.981 1.00 39.09 ? 364 ARG B CD 1 ATOM 5176 N NE . ARG B 1 297 ? -18.519 33.671 -105.549 1.00 41.13 ? 364 ARG B NE 1 ATOM 5177 C CZ . ARG B 1 297 ? -18.759 33.542 -106.856 1.00 43.55 ? 364 ARG B CZ 1 ATOM 5178 N NH1 . ARG B 1 297 ? -19.884 33.014 -107.231 1.00 41.52 ? 364 ARG B NH1 1 ATOM 5179 N NH2 . ARG B 1 297 ? -17.869 33.893 -107.788 1.00 39.19 ? 364 ARG B NH2 1 ATOM 5180 N N . THR B 1 298 ? -17.701 36.948 -100.970 1.00 36.80 ? 365 THR B N 1 ATOM 5181 C CA . THR B 1 298 ? -18.971 37.511 -100.562 1.00 42.01 ? 365 THR B CA 1 ATOM 5182 C C . THR B 1 298 ? -20.064 36.904 -101.476 1.00 42.24 ? 365 THR B C 1 ATOM 5183 O O . THR B 1 298 ? -19.784 36.572 -102.603 1.00 38.18 ? 365 THR B O 1 ATOM 5184 C CB . THR B 1 298 ? -19.010 39.071 -100.667 1.00 42.12 ? 365 THR B CB 1 ATOM 5185 O OG1 . THR B 1 298 ? -18.862 39.460 -102.018 1.00 42.03 ? 365 THR B OG1 1 ATOM 5186 C CG2 . THR B 1 298 ? -17.936 39.717 -99.837 1.00 42.89 ? 365 THR B CG2 1 ATOM 5187 N N . ILE B 1 299 ? -21.282 36.770 -100.968 1.00 39.17 ? 366 ILE B N 1 ATOM 5188 C CA . ILE B 1 299 ? -22.353 36.267 -101.782 1.00 43.60 ? 366 ILE B CA 1 ATOM 5189 C C . ILE B 1 299 ? -22.805 37.314 -102.800 1.00 45.96 ? 366 ILE B C 1 ATOM 5190 O O . ILE B 1 299 ? -22.973 37.004 -103.991 1.00 41.77 ? 366 ILE B O 1 ATOM 5191 C CB . ILE B 1 299 ? -23.509 35.716 -100.961 1.00 44.25 ? 366 ILE B CB 1 ATOM 5192 C CG1 . ILE B 1 299 ? -23.061 34.426 -100.268 1.00 46.51 ? 366 ILE B CG1 1 ATOM 5193 C CG2 . ILE B 1 299 ? -24.700 35.404 -101.850 1.00 40.03 ? 366 ILE B CG2 1 ATOM 5194 C CD1 . ILE B 1 299 ? -23.983 34.004 -99.143 1.00 44.23 ? 366 ILE B CD1 1 ATOM 5195 N N . SER B 1 300 ? -22.925 38.556 -102.357 1.00 45.48 ? 367 SER B N 1 ATOM 5196 C CA . SER B 1 300 ? -23.253 39.641 -103.275 1.00 41.02 ? 367 SER B CA 1 ATOM 5197 C C . SER B 1 300 ? -22.083 39.920 -104.203 1.00 41.51 ? 367 SER B C 1 ATOM 5198 O O . SER B 1 300 ? -20.911 39.906 -103.805 1.00 46.80 ? 367 SER B O 1 ATOM 5199 C CB . SER B 1 300 ? -23.625 40.902 -102.507 1.00 40.03 ? 367 SER B CB 1 ATOM 5200 O OG . SER B 1 300 ? -23.584 42.073 -103.308 1.00 44.17 ? 367 SER B OG 1 ATOM 5201 N N . GLU B 1 301 ? -22.418 40.254 -105.431 1.00 46.30 ? 368 GLU B N 1 ATOM 5202 C CA . GLU B 1 301 ? -21.438 40.694 -106.461 1.00 48.82 ? 368 GLU B CA 1 ATOM 5203 C C . GLU B 1 301 ? -21.134 42.177 -106.374 1.00 45.05 ? 368 GLU B C 1 ATOM 5204 O O . GLU B 1 301 ? -20.189 42.658 -107.016 1.00 45.31 ? 368 GLU B O 1 ATOM 5205 C CB . GLU B 1 301 ? -21.989 40.385 -107.855 1.00 52.10 ? 368 GLU B CB 1 ATOM 5206 C CG . GLU B 1 301 ? -22.044 38.893 -108.115 1.00 61.44 ? 368 GLU B CG 1 ATOM 5207 C CD . GLU B 1 301 ? -23.370 38.383 -108.644 1.00 62.44 ? 368 GLU B CD 1 ATOM 5208 O OE1 . GLU B 1 301 ? -24.306 39.160 -108.726 1.00 79.65 ? 368 GLU B OE1 1 ATOM 5209 O OE2 . GLU B 1 301 ? -23.476 37.180 -108.974 1.00 76.36 ? 368 GLU B OE2 1 ATOM 5210 N N . ASP B 1 302 ? -21.954 42.906 -105.612 1.00 43.39 ? 369 ASP B N 1 ATOM 5211 C CA . ASP B 1 302 ? -21.866 44.379 -105.541 1.00 49.26 ? 369 ASP B CA 1 ATOM 5212 C C . ASP B 1 302 ? -21.325 44.848 -104.235 1.00 53.34 ? 369 ASP B C 1 ATOM 5213 O O . ASP B 1 302 ? -20.576 45.778 -104.211 1.00 54.12 ? 369 ASP B O 1 ATOM 5214 C CB . ASP B 1 302 ? -23.232 45.037 -105.684 1.00 49.37 ? 369 ASP B CB 1 ATOM 5215 C CG . ASP B 1 302 ? -23.903 44.680 -106.977 1.00 56.94 ? 369 ASP B CG 1 ATOM 5216 O OD1 . ASP B 1 302 ? -23.237 44.690 -108.040 1.00 59.42 ? 369 ASP B OD1 1 ATOM 5217 O OD2 . ASP B 1 302 ? -25.106 44.345 -106.934 1.00 68.97 ? 369 ASP B OD2 1 ATOM 5218 N N . SER B 1 303 ? -21.705 44.216 -103.135 1.00 51.18 ? 370 SER B N 1 ATOM 5219 C CA . SER B 1 303 ? -21.272 44.723 -101.887 1.00 49.13 ? 370 SER B CA 1 ATOM 5220 C C . SER B 1 303 ? -20.745 43.619 -100.975 1.00 44.10 ? 370 SER B C 1 ATOM 5221 O O . SER B 1 303 ? -20.882 42.417 -101.245 1.00 47.67 ? 370 SER B O 1 ATOM 5222 C CB . SER B 1 303 ? -22.418 45.515 -101.310 1.00 52.80 ? 370 SER B CB 1 ATOM 5223 O OG . SER B 1 303 ? -23.451 44.646 -100.956 1.00 60.86 ? 370 SER B OG 1 ATOM 5224 N N . ARG B 1 304 ? -20.172 44.038 -99.867 1.00 45.54 ? 371 ARG B N 1 ATOM 5225 C CA . ARG B 1 304 ? -19.614 43.139 -98.854 1.00 45.10 ? 371 ARG B CA 1 ATOM 5226 C C . ARG B 1 304 ? -20.681 42.577 -97.927 1.00 45.30 ? 371 ARG B C 1 ATOM 5227 O O . ARG B 1 304 ? -20.735 42.869 -96.732 1.00 46.20 ? 371 ARG B O 1 ATOM 5228 C CB . ARG B 1 304 ? -18.539 43.840 -98.044 1.00 50.50 ? 371 ARG B CB 1 ATOM 5229 C CG . ARG B 1 304 ? -17.396 44.384 -98.908 1.00 49.99 ? 371 ARG B CG 1 ATOM 5230 C CD . ARG B 1 304 ? -16.573 45.411 -98.123 1.00 45.58 ? 371 ARG B CD 1 ATOM 5231 N NE . ARG B 1 304 ? -15.411 45.785 -98.911 1.00 45.85 ? 371 ARG B NE 1 ATOM 5232 C CZ . ARG B 1 304 ? -14.346 46.435 -98.472 1.00 40.45 ? 371 ARG B CZ 1 ATOM 5233 N NH1 . ARG B 1 304 ? -14.250 46.788 -97.210 1.00 43.51 ? 371 ARG B NH1 1 ATOM 5234 N NH2 . ARG B 1 304 ? -13.350 46.701 -99.317 1.00 37.78 ? 371 ARG B NH2 1 ATOM 5235 N N . SER B 1 305 ? -21.522 41.724 -98.516 1.00 44.25 ? 372 SER B N 1 ATOM 5236 C CA . SER B 1 305 ? -22.613 41.127 -97.826 1.00 44.09 ? 372 SER B CA 1 ATOM 5237 C C . SER B 1 305 ? -22.620 39.630 -98.143 1.00 43.30 ? 372 SER B C 1 ATOM 5238 O O . SER B 1 305 ? -22.370 39.189 -99.271 1.00 41.77 ? 372 SER B O 1 ATOM 5239 C CB . SER B 1 305 ? -23.915 41.842 -98.186 1.00 45.24 ? 372 SER B CB 1 ATOM 5240 O OG . SER B 1 305 ? -24.413 41.428 -99.416 1.00 53.76 ? 372 SER B OG 1 ATOM 5241 N N . GLY B 1 306 ? -22.874 38.850 -97.109 1.00 39.47 ? 373 GLY B N 1 ATOM 5242 C CA . GLY B 1 306 ? -22.824 37.398 -97.211 1.00 38.57 ? 373 GLY B CA 1 ATOM 5243 C C . GLY B 1 306 ? -21.404 36.833 -97.308 1.00 35.29 ? 373 GLY B C 1 ATOM 5244 O O . GLY B 1 306 ? -20.446 37.570 -97.550 1.00 36.87 ? 373 GLY B O 1 ATOM 5245 N N . TYR B 1 307 ? -21.300 35.514 -97.183 1.00 32.25 ? 374 TYR B N 1 ATOM 5246 C CA . TYR B 1 307 ? -20.058 34.838 -97.433 1.00 35.53 ? 374 TYR B CA 1 ATOM 5247 C C . TYR B 1 307 ? -20.315 33.375 -97.721 1.00 35.21 ? 374 TYR B C 1 ATOM 5248 O O . TYR B 1 307 ? -21.141 32.731 -97.055 1.00 40.92 ? 374 TYR B O 1 ATOM 5249 C CB . TYR B 1 307 ? -19.119 34.964 -96.203 1.00 36.28 ? 374 TYR B CB 1 ATOM 5250 C CG . TYR B 1 307 ? -17.700 34.780 -96.585 1.00 33.81 ? 374 TYR B CG 1 ATOM 5251 C CD1 . TYR B 1 307 ? -16.955 35.846 -97.053 1.00 34.13 ? 374 TYR B CD1 1 ATOM 5252 C CD2 . TYR B 1 307 ? -17.111 33.538 -96.541 1.00 33.74 ? 374 TYR B CD2 1 ATOM 5253 C CE1 . TYR B 1 307 ? -15.643 35.671 -97.495 1.00 34.87 ? 374 TYR B CE1 1 ATOM 5254 C CE2 . TYR B 1 307 ? -15.803 33.363 -96.950 1.00 37.96 ? 374 TYR B CE2 1 ATOM 5255 C CZ . TYR B 1 307 ? -15.068 34.449 -97.422 1.00 38.32 ? 374 TYR B CZ 1 ATOM 5256 O OH . TYR B 1 307 ? -13.731 34.284 -97.828 1.00 40.23 ? 374 TYR B OH 1 ATOM 5257 N N . GLU B 1 308 ? -19.565 32.847 -98.685 1.00 34.56 ? 375 GLU B N 1 ATOM 5258 C CA . GLU B 1 308 ? -19.706 31.484 -99.164 1.00 34.09 ? 375 GLU B CA 1 ATOM 5259 C C . GLU B 1 308 ? -18.343 30.919 -99.446 1.00 35.99 ? 375 GLU B C 1 ATOM 5260 O O . GLU B 1 308 ? -17.439 31.652 -99.882 1.00 34.55 ? 375 GLU B O 1 ATOM 5261 C CB . GLU B 1 308 ? -20.550 31.424 -100.462 1.00 35.75 ? 375 GLU B CB 1 ATOM 5262 C CG . GLU B 1 308 ? -20.011 32.221 -101.651 1.00 37.62 ? 375 GLU B CG 1 ATOM 5263 C CD . GLU B 1 308 ? -20.973 32.220 -102.932 1.00 44.86 ? 375 GLU B CD 1 ATOM 5264 O OE1 . GLU B 1 308 ? -21.939 31.435 -102.939 1.00 43.37 ? 375 GLU B OE1 1 ATOM 5265 O OE2 . GLU B 1 308 ? -20.760 32.977 -103.950 1.00 42.32 ? 375 GLU B OE2 1 ATOM 5266 N N . THR B 1 309 ? -18.235 29.592 -99.319 1.00 35.22 ? 376 THR B N 1 ATOM 5267 C CA . THR B 1 309 ? -17.071 28.873 -99.788 1.00 37.50 ? 376 THR B CA 1 ATOM 5268 C C . THR B 1 309 ? -17.449 27.794 -100.755 1.00 36.79 ? 376 THR B C 1 ATOM 5269 O O . THR B 1 309 ? -18.567 27.289 -100.716 1.00 38.04 ? 376 THR B O 1 ATOM 5270 C CB . THR B 1 309 ? -16.313 28.188 -98.632 1.00 39.64 ? 376 THR B CB 1 ATOM 5271 O OG1 . THR B 1 309 ? -17.222 27.440 -97.830 1.00 38.77 ? 376 THR B OG1 1 ATOM 5272 C CG2 . THR B 1 309 ? -15.715 29.225 -97.785 1.00 44.77 ? 376 THR B CG2 1 ATOM 5273 N N . PHE B 1 310 ? -16.499 27.418 -101.607 1.00 35.25 ? 377 PHE B N 1 ATOM 5274 C CA . PHE B 1 310 ? -16.697 26.285 -102.507 1.00 36.21 ? 377 PHE B CA 1 ATOM 5275 C C . PHE B 1 310 ? -15.413 25.870 -103.136 1.00 35.70 ? 377 PHE B C 1 ATOM 5276 O O . PHE B 1 310 ? -14.403 26.570 -103.052 1.00 36.83 ? 377 PHE B O 1 ATOM 5277 C CB . PHE B 1 310 ? -17.765 26.600 -103.593 1.00 33.09 ? 377 PHE B CB 1 ATOM 5278 C CG . PHE B 1 310 ? -17.533 27.868 -104.346 1.00 34.90 ? 377 PHE B CG 1 ATOM 5279 C CD1 . PHE B 1 310 ? -16.574 27.945 -105.346 1.00 36.90 ? 377 PHE B CD1 1 ATOM 5280 C CD2 . PHE B 1 310 ? -18.294 28.972 -104.088 1.00 36.43 ? 377 PHE B CD2 1 ATOM 5281 C CE1 . PHE B 1 310 ? -16.397 29.107 -106.071 1.00 39.95 ? 377 PHE B CE1 1 ATOM 5282 C CE2 . PHE B 1 310 ? -18.090 30.151 -104.754 1.00 38.29 ? 377 PHE B CE2 1 ATOM 5283 C CZ . PHE B 1 310 ? -17.138 30.218 -105.775 1.00 42.43 ? 377 PHE B CZ 1 ATOM 5284 N N . ARG B 1 311 ? -15.482 24.731 -103.789 1.00 39.43 ? 378 ARG B N 1 ATOM 5285 C CA . ARG B 1 311 ? -14.419 24.241 -104.599 1.00 38.29 ? 378 ARG B CA 1 ATOM 5286 C C . ARG B 1 311 ? -14.774 24.331 -106.108 1.00 41.33 ? 378 ARG B C 1 ATOM 5287 O O . ARG B 1 311 ? -15.924 24.142 -106.516 1.00 38.39 ? 378 ARG B O 1 ATOM 5288 C CB . ARG B 1 311 ? -14.193 22.825 -104.231 1.00 40.04 ? 378 ARG B CB 1 ATOM 5289 C CG . ARG B 1 311 ? -13.075 22.195 -105.047 1.00 45.32 ? 378 ARG B CG 1 ATOM 5290 C CD . ARG B 1 311 ? -12.612 20.970 -104.336 1.00 47.53 ? 378 ARG B CD 1 ATOM 5291 N NE . ARG B 1 311 ? -13.010 19.789 -105.051 1.00 56.18 ? 378 ARG B NE 1 ATOM 5292 C CZ . ARG B 1 311 ? -13.898 18.917 -104.643 1.00 55.66 ? 378 ARG B CZ 1 ATOM 5293 N NH1 . ARG B 1 311 ? -14.115 17.869 -105.377 1.00 58.67 ? 378 ARG B NH1 1 ATOM 5294 N NH2 . ARG B 1 311 ? -14.573 19.095 -103.536 1.00 64.67 ? 378 ARG B NH2 1 ATOM 5295 N N . VAL B 1 312 ? -13.786 24.677 -106.914 1.00 41.05 ? 379 VAL B N 1 ATOM 5296 C CA . VAL B 1 312 ? -13.963 24.748 -108.354 1.00 44.74 ? 379 VAL B CA 1 ATOM 5297 C C . VAL B 1 312 ? -13.065 23.693 -108.938 1.00 46.69 ? 379 VAL B C 1 ATOM 5298 O O . VAL B 1 312 ? -11.835 23.826 -108.852 1.00 46.21 ? 379 VAL B O 1 ATOM 5299 C CB . VAL B 1 312 ? -13.594 26.137 -108.971 1.00 45.56 ? 379 VAL B CB 1 ATOM 5300 C CG1 . VAL B 1 312 ? -13.891 26.181 -110.497 1.00 42.78 ? 379 VAL B CG1 1 ATOM 5301 C CG2 . VAL B 1 312 ? -14.385 27.247 -108.281 1.00 46.00 ? 379 VAL B CG2 1 ATOM 5302 N N . THR B 1 313 ? -13.666 22.690 -109.583 1.00 48.32 ? 380 THR B N 1 ATOM 5303 C CA . THR B 1 313 ? -12.896 21.581 -110.167 1.00 53.52 ? 380 THR B CA 1 ATOM 5304 C C . THR B 1 313 ? -12.137 22.130 -111.396 1.00 47.75 ? 380 THR B C 1 ATOM 5305 O O . THR B 1 313 ? -12.677 22.903 -112.172 1.00 44.88 ? 380 THR B O 1 ATOM 5306 C CB . THR B 1 313 ? -13.751 20.341 -110.541 1.00 55.81 ? 380 THR B CB 1 ATOM 5307 O OG1 . THR B 1 313 ? -14.697 20.714 -111.516 1.00 65.13 ? 380 THR B OG1 1 ATOM 5308 C CG2 . THR B 1 313 ? -14.530 19.817 -109.335 1.00 59.01 ? 380 THR B CG2 1 ATOM 5309 N N . ASP B 1 314 ? -10.845 21.839 -111.450 1.00 48.22 ? 381 ASP B N 1 ATOM 5310 C CA . ASP B 1 314 ? -9.937 22.403 -112.464 1.00 48.74 ? 381 ASP B CA 1 ATOM 5311 C C . ASP B 1 314 ? -9.751 23.900 -112.395 1.00 45.34 ? 381 ASP B C 1 ATOM 5312 O O . ASP B 1 314 ? -9.097 24.500 -113.248 1.00 46.92 ? 381 ASP B O 1 ATOM 5313 C CB . ASP B 1 314 ? -10.380 21.980 -113.860 1.00 56.45 ? 381 ASP B CB 1 ATOM 5314 C CG . ASP B 1 314 ? -10.290 20.451 -114.061 1.00 61.60 ? 381 ASP B CG 1 ATOM 5315 O OD1 . ASP B 1 314 ? -9.216 19.860 -113.774 1.00 61.53 ? 381 ASP B OD1 1 ATOM 5316 O OD2 . ASP B 1 314 ? -11.316 19.847 -114.423 1.00 69.69 ? 381 ASP B OD2 1 ATOM 5317 N N . GLY B 1 315 ? -10.230 24.511 -111.327 1.00 41.93 ? 382 GLY B N 1 ATOM 5318 C CA . GLY B 1 315 ? -10.158 25.979 -111.206 1.00 43.06 ? 382 GLY B CA 1 ATOM 5319 C C . GLY B 1 315 ? -8.796 26.556 -110.866 1.00 42.14 ? 382 GLY B C 1 ATOM 5320 O O . GLY B 1 315 ? -8.606 27.761 -110.914 1.00 43.56 ? 382 GLY B O 1 ATOM 5321 N N . TRP B 1 316 ? -7.857 25.702 -110.487 1.00 37.84 ? 383 TRP B N 1 ATOM 5322 C CA . TRP B 1 316 ? -6.513 26.139 -110.311 1.00 39.23 ? 383 TRP B CA 1 ATOM 5323 C C . TRP B 1 316 ? -5.641 26.096 -111.574 1.00 41.18 ? 383 TRP B C 1 ATOM 5324 O O . TRP B 1 316 ? -4.739 26.872 -111.695 1.00 45.59 ? 383 TRP B O 1 ATOM 5325 C CB . TRP B 1 316 ? -5.834 25.295 -109.223 1.00 42.64 ? 383 TRP B CB 1 ATOM 5326 C CG . TRP B 1 316 ? -4.562 25.931 -108.779 1.00 47.82 ? 383 TRP B CG 1 ATOM 5327 C CD1 . TRP B 1 316 ? -3.295 25.544 -109.092 1.00 48.30 ? 383 TRP B CD1 1 ATOM 5328 C CD2 . TRP B 1 316 ? -4.434 27.133 -108.029 1.00 46.87 ? 383 TRP B CD2 1 ATOM 5329 N NE1 . TRP B 1 316 ? -2.398 26.405 -108.537 1.00 44.84 ? 383 TRP B NE1 1 ATOM 5330 C CE2 . TRP B 1 316 ? -3.068 27.402 -107.899 1.00 44.14 ? 383 TRP B CE2 1 ATOM 5331 C CE3 . TRP B 1 316 ? -5.342 28.008 -107.459 1.00 44.73 ? 383 TRP B CE3 1 ATOM 5332 C CZ2 . TRP B 1 316 ? -2.591 28.508 -107.218 1.00 48.33 ? 383 TRP B CZ2 1 ATOM 5333 C CZ3 . TRP B 1 316 ? -4.861 29.101 -106.743 1.00 44.23 ? 383 TRP B CZ3 1 ATOM 5334 C CH2 . TRP B 1 316 ? -3.513 29.339 -106.622 1.00 44.62 ? 383 TRP B CH2 1 ATOM 5335 N N . THR B 1 317 ? -5.843 25.135 -112.456 1.00 49.05 ? 384 THR B N 1 ATOM 5336 C CA . THR B 1 317 ? -4.938 24.944 -113.623 1.00 49.05 ? 384 THR B CA 1 ATOM 5337 C C . THR B 1 317 ? -5.585 25.111 -115.007 1.00 50.25 ? 384 THR B C 1 ATOM 5338 O O . THR B 1 317 ? -4.868 25.185 -115.960 1.00 52.13 ? 384 THR B O 1 ATOM 5339 C CB . THR B 1 317 ? -4.240 23.573 -113.630 1.00 50.58 ? 384 THR B CB 1 ATOM 5340 O OG1 . THR B 1 317 ? -5.207 22.524 -113.548 1.00 51.57 ? 384 THR B OG1 1 ATOM 5341 C CG2 . THR B 1 317 ? -3.277 23.477 -112.459 1.00 55.64 ? 384 THR B CG2 1 ATOM 5342 N N . THR B 1 318 ? -6.904 25.236 -115.108 1.00 46.90 ? 385 THR B N 1 ATOM 5343 C CA . THR B 1 318 ? -7.553 25.514 -116.387 1.00 48.28 ? 385 THR B CA 1 ATOM 5344 C C . THR B 1 318 ? -8.245 26.866 -116.382 1.00 51.29 ? 385 THR B C 1 ATOM 5345 O O . THR B 1 318 ? -9.165 27.123 -115.587 1.00 59.61 ? 385 THR B O 1 ATOM 5346 C CB . THR B 1 318 ? -8.628 24.475 -116.671 1.00 51.48 ? 385 THR B CB 1 ATOM 5347 O OG1 . THR B 1 318 ? -8.031 23.189 -116.673 1.00 51.56 ? 385 THR B OG1 1 ATOM 5348 C CG2 . THR B 1 318 ? -9.326 24.738 -118.003 1.00 52.04 ? 385 THR B CG2 1 ATOM 5349 N N . ALA B 1 319 ? -7.824 27.727 -117.283 1.00 52.58 ? 386 ALA B N 1 ATOM 5350 C CA . ALA B 1 319 ? -8.412 29.051 -117.429 1.00 50.51 ? 386 ALA B CA 1 ATOM 5351 C C . ALA B 1 319 ? -9.921 28.975 -117.553 1.00 49.02 ? 386 ALA B C 1 ATOM 5352 O O . ALA B 1 319 ? -10.477 28.220 -118.341 1.00 51.42 ? 386 ALA B O 1 ATOM 5353 C CB . ALA B 1 319 ? -7.831 29.757 -118.637 1.00 51.39 ? 386 ALA B CB 1 ATOM 5354 N N . ASN B 1 320 ? -10.582 29.764 -116.719 1.00 56.90 ? 387 ASN B N 1 ATOM 5355 C CA . ASN B 1 320 ? -12.010 30.006 -116.842 1.00 54.03 ? 387 ASN B CA 1 ATOM 5356 C C . ASN B 1 320 ? -12.955 28.862 -116.436 1.00 47.53 ? 387 ASN B C 1 ATOM 5357 O O . ASN B 1 320 ? -14.135 28.908 -116.757 1.00 45.84 ? 387 ASN B O 1 ATOM 5358 C CB . ASN B 1 320 ? -12.285 30.448 -118.271 1.00 54.78 ? 387 ASN B CB 1 ATOM 5359 C CG . ASN B 1 320 ? -13.154 31.675 -118.323 1.00 63.06 ? 387 ASN B CG 1 ATOM 5360 O OD1 . ASN B 1 320 ? -12.892 32.654 -117.663 1.00 71.18 ? 387 ASN B OD1 1 ATOM 5361 N ND2 . ASN B 1 320 ? -14.198 31.628 -119.121 1.00 72.56 ? 387 ASN B ND2 1 ATOM 5362 N N . SER B 1 321 ? -12.486 27.882 -115.670 1.00 46.32 ? 388 SER B N 1 ATOM 5363 C CA . SER B 1 321 ? -13.422 26.861 -115.184 1.00 49.36 ? 388 SER B CA 1 ATOM 5364 C C . SER B 1 321 ? -14.462 27.474 -114.295 1.00 48.95 ? 388 SER B C 1 ATOM 5365 O O . SER B 1 321 ? -14.141 28.344 -113.475 1.00 42.13 ? 388 SER B O 1 ATOM 5366 C CB . SER B 1 321 ? -12.767 25.772 -114.359 1.00 56.72 ? 388 SER B CB 1 ATOM 5367 O OG . SER B 1 321 ? -11.551 25.401 -114.964 1.00 66.73 ? 388 SER B OG 1 ATOM 5368 N N . LYS B 1 322 ? -15.688 26.978 -114.442 1.00 44.41 ? 389 LYS B N 1 ATOM 5369 C CA . LYS B 1 322 ? -16.820 27.464 -113.689 1.00 45.15 ? 389 LYS B CA 1 ATOM 5370 C C . LYS B 1 322 ? -17.575 26.329 -113.015 1.00 42.41 ? 389 LYS B C 1 ATOM 5371 O O . LYS B 1 322 ? -18.705 26.440 -112.654 1.00 41.13 ? 389 LYS B O 1 ATOM 5372 C CB . LYS B 1 322 ? -17.717 28.280 -114.608 1.00 46.84 ? 389 LYS B CB 1 ATOM 5373 C CG . LYS B 1 322 ? -17.096 29.610 -114.961 1.00 50.00 ? 389 LYS B CG 1 ATOM 5374 C CD . LYS B 1 322 ? -18.071 30.554 -115.623 1.00 49.91 ? 389 LYS B CD 1 ATOM 5375 C CE . LYS B 1 322 ? -17.326 31.785 -116.107 1.00 52.15 ? 389 LYS B CE 1 ATOM 5376 N NZ . LYS B 1 322 ? -18.277 32.867 -116.407 1.00 54.97 ? 389 LYS B NZ 1 ATOM 5377 N N . SER B 1 323 ? -16.884 25.241 -112.826 1.00 41.59 ? 390 SER B N 1 ATOM 5378 C CA . SER B 1 323 ? -17.475 24.019 -112.396 1.00 44.02 ? 390 SER B CA 1 ATOM 5379 C C . SER B 1 323 ? -17.452 23.853 -110.835 1.00 45.27 ? 390 SER B C 1 ATOM 5380 O O . SER B 1 323 ? -16.530 23.284 -110.250 1.00 45.46 ? 390 SER B O 1 ATOM 5381 C CB . SER B 1 323 ? -16.693 22.954 -113.139 1.00 47.39 ? 390 SER B CB 1 ATOM 5382 O OG . SER B 1 323 ? -17.236 21.744 -112.851 1.00 68.17 ? 390 SER B OG 1 ATOM 5383 N N . GLN B 1 324 ? -18.417 24.411 -110.134 1.00 46.02 ? 391 GLN B N 1 ATOM 5384 C CA . GLN B 1 324 ? -18.321 24.360 -108.671 1.00 51.40 ? 391 GLN B CA 1 ATOM 5385 C C . GLN B 1 324 ? -18.973 23.205 -108.025 1.00 46.82 ? 391 GLN B C 1 ATOM 5386 O O . GLN B 1 324 ? -19.935 22.675 -108.521 1.00 41.01 ? 391 GLN B O 1 ATOM 5387 C CB . GLN B 1 324 ? -18.746 25.668 -107.949 1.00 51.07 ? 391 GLN B CB 1 ATOM 5388 C CG . GLN B 1 324 ? -20.182 26.022 -107.939 1.00 50.97 ? 391 GLN B CG 1 ATOM 5389 C CD . GLN B 1 324 ? -20.532 26.875 -106.712 1.00 53.35 ? 391 GLN B CD 1 ATOM 5390 O OE1 . GLN B 1 324 ? -21.117 26.390 -105.749 1.00 48.00 ? 391 GLN B OE1 1 ATOM 5391 N NE2 . GLN B 1 324 ? -20.252 28.146 -106.782 1.00 49.76 ? 391 GLN B NE2 1 ATOM 5392 N N . VAL B 1 325 ? -18.424 22.848 -106.875 1.00 40.76 ? 392 VAL B N 1 ATOM 5393 C CA . VAL B 1 325 ? -18.949 21.819 -106.060 1.00 42.98 ? 392 VAL B CA 1 ATOM 5394 C C . VAL B 1 325 ? -18.655 22.123 -104.570 1.00 42.55 ? 392 VAL B C 1 ATOM 5395 O O . VAL B 1 325 ? -17.830 22.962 -104.243 1.00 40.72 ? 392 VAL B O 1 ATOM 5396 C CB . VAL B 1 325 ? -18.402 20.466 -106.552 1.00 45.57 ? 392 VAL B CB 1 ATOM 5397 C CG1 . VAL B 1 325 ? -16.927 20.363 -106.314 1.00 46.52 ? 392 VAL B CG1 1 ATOM 5398 C CG2 . VAL B 1 325 ? -19.091 19.325 -105.786 1.00 53.66 ? 392 VAL B CG2 1 ATOM 5399 N N . ASN B 1 326 ? -19.414 21.511 -103.671 1.00 44.48 ? 393 ASN B N 1 ATOM 5400 C CA . ASN B 1 326 ? -19.225 21.663 -102.198 1.00 40.97 ? 393 ASN B CA 1 ATOM 5401 C C . ASN B 1 326 ? -19.392 23.043 -101.642 1.00 38.05 ? 393 ASN B C 1 ATOM 5402 O O . ASN B 1 326 ? -18.637 23.517 -100.783 1.00 33.15 ? 393 ASN B O 1 ATOM 5403 C CB . ASN B 1 326 ? -17.855 21.149 -101.772 1.00 41.29 ? 393 ASN B CB 1 ATOM 5404 C CG . ASN B 1 326 ? -17.698 19.659 -101.995 1.00 42.09 ? 393 ASN B CG 1 ATOM 5405 O OD1 . ASN B 1 326 ? -16.606 19.197 -102.165 1.00 38.32 ? 393 ASN B OD1 1 ATOM 5406 N ND2 . ASN B 1 326 ? -18.799 18.913 -102.012 1.00 42.92 ? 393 ASN B ND2 1 ATOM 5407 N N . ARG B 1 327 ? -20.378 23.729 -102.154 1.00 38.28 ? 394 ARG B N 1 ATOM 5408 C CA . ARG B 1 327 ? -20.676 25.031 -101.620 1.00 39.45 ? 394 ARG B CA 1 ATOM 5409 C C . ARG B 1 327 ? -21.150 24.936 -100.160 1.00 37.40 ? 394 ARG B C 1 ATOM 5410 O O . ARG B 1 327 ? -21.913 24.051 -99.798 1.00 36.24 ? 394 ARG B O 1 ATOM 5411 C CB . ARG B 1 327 ? -21.755 25.687 -102.444 1.00 38.67 ? 394 ARG B CB 1 ATOM 5412 C CG . ARG B 1 327 ? -22.165 27.053 -101.953 1.00 40.92 ? 394 ARG B CG 1 ATOM 5413 C CD . ARG B 1 327 ? -23.076 27.684 -102.944 1.00 42.44 ? 394 ARG B CD 1 ATOM 5414 N NE . ARG B 1 327 ? -23.373 29.059 -102.609 1.00 44.36 ? 394 ARG B NE 1 ATOM 5415 C CZ . ARG B 1 327 ? -24.550 29.562 -102.254 1.00 47.28 ? 394 ARG B CZ 1 ATOM 5416 N NH1 . ARG B 1 327 ? -25.644 28.801 -102.124 1.00 51.93 ? 394 ARG B NH1 1 ATOM 5417 N NH2 . ARG B 1 327 ? -24.626 30.861 -102.031 1.00 43.02 ? 394 ARG B NH2 1 ATOM 5418 N N . GLN B 1 328 ? -20.771 25.948 -99.403 1.00 34.51 ? 395 GLN B N 1 ATOM 5419 C CA . GLN B 1 328 ? -21.336 26.204 -98.071 1.00 37.79 ? 395 GLN B CA 1 ATOM 5420 C C . GLN B 1 328 ? -21.569 27.707 -97.872 1.00 37.25 ? 395 GLN B C 1 ATOM 5421 O O . GLN B 1 328 ? -20.722 28.535 -98.204 1.00 43.89 ? 395 GLN B O 1 ATOM 5422 C CB . GLN B 1 328 ? -20.397 25.737 -96.953 1.00 39.87 ? 395 GLN B CB 1 ATOM 5423 C CG . GLN B 1 328 ? -20.018 24.285 -96.948 1.00 37.82 ? 395 GLN B CG 1 ATOM 5424 C CD . GLN B 1 328 ? -18.941 23.961 -95.928 1.00 38.21 ? 395 GLN B CD 1 ATOM 5425 O OE1 . GLN B 1 328 ? -17.812 23.689 -96.272 1.00 41.12 ? 395 GLN B OE1 1 ATOM 5426 N NE2 . GLN B 1 328 ? -19.319 23.928 -94.662 1.00 35.99 ? 395 GLN B NE2 1 ATOM 5427 N N . ILE B 1 329 ? -22.739 28.035 -97.349 1.00 40.19 ? 396 ILE B N 1 ATOM 5428 C CA . ILE B 1 329 ? -23.028 29.354 -96.819 1.00 40.14 ? 396 ILE B CA 1 ATOM 5429 C C . ILE B 1 329 ? -22.411 29.507 -95.415 1.00 39.55 ? 396 ILE B C 1 ATOM 5430 O O . ILE B 1 329 ? -22.675 28.702 -94.514 1.00 35.53 ? 396 ILE B O 1 ATOM 5431 C CB . ILE B 1 329 ? -24.534 29.594 -96.773 1.00 38.08 ? 396 ILE B CB 1 ATOM 5432 C CG1 . ILE B 1 329 ? -25.015 29.698 -98.232 1.00 39.65 ? 396 ILE B CG1 1 ATOM 5433 C CG2 . ILE B 1 329 ? -24.814 30.873 -96.004 1.00 37.73 ? 396 ILE B CG2 1 ATOM 5434 C CD1 . ILE B 1 329 ? -26.478 29.975 -98.360 1.00 38.96 ? 396 ILE B CD1 1 ATOM 5435 N N . ILE B 1 330 ? -21.576 30.529 -95.257 1.00 36.66 ? 397 ILE B N 1 ATOM 5436 C CA . ILE B 1 330 ? -21.007 30.862 -93.927 1.00 37.59 ? 397 ILE B CA 1 ATOM 5437 C C . ILE B 1 330 ? -21.784 31.965 -93.233 1.00 36.66 ? 397 ILE B C 1 ATOM 5438 O O . ILE B 1 330 ? -22.159 31.855 -92.049 1.00 38.62 ? 397 ILE B O 1 ATOM 5439 C CB . ILE B 1 330 ? -19.572 31.281 -94.062 1.00 40.22 ? 397 ILE B CB 1 ATOM 5440 C CG1 . ILE B 1 330 ? -18.791 30.221 -94.885 1.00 43.42 ? 397 ILE B CG1 1 ATOM 5441 C CG2 . ILE B 1 330 ? -18.964 31.427 -92.693 1.00 39.57 ? 397 ILE B CG2 1 ATOM 5442 C CD1 . ILE B 1 330 ? -18.713 28.823 -94.277 1.00 43.45 ? 397 ILE B CD1 1 ATOM 5443 N N . VAL B 1 331 ? -22.087 33.000 -94.000 1.00 39.63 ? 398 VAL B N 1 ATOM 5444 C CA . VAL B 1 331 ? -22.905 34.111 -93.571 1.00 37.50 ? 398 VAL B CA 1 ATOM 5445 C C . VAL B 1 331 ? -23.947 34.393 -94.686 1.00 40.55 ? 398 VAL B C 1 ATOM 5446 O O . VAL B 1 331 ? -23.580 34.617 -95.830 1.00 41.00 ? 398 VAL B O 1 ATOM 5447 C CB . VAL B 1 331 ? -22.077 35.384 -93.417 1.00 38.18 ? 398 VAL B CB 1 ATOM 5448 C CG1 . VAL B 1 331 ? -22.973 36.557 -93.007 1.00 39.80 ? 398 VAL B CG1 1 ATOM 5449 C CG2 . VAL B 1 331 ? -20.992 35.200 -92.423 1.00 41.11 ? 398 VAL B CG2 1 ATOM 5450 N N . ASP B 1 332 ? -25.231 34.405 -94.351 1.00 36.82 ? 399 ASP B N 1 ATOM 5451 C CA . ASP B 1 332 ? -26.262 34.574 -95.366 1.00 39.72 ? 399 ASP B CA 1 ATOM 5452 C C . ASP B 1 332 ? -26.209 35.996 -95.914 1.00 40.34 ? 399 ASP B C 1 ATOM 5453 O O . ASP B 1 332 ? -25.702 36.914 -95.282 1.00 38.26 ? 399 ASP B O 1 ATOM 5454 C CB . ASP B 1 332 ? -27.669 34.236 -94.807 1.00 43.04 ? 399 ASP B CB 1 ATOM 5455 C CG . ASP B 1 332 ? -28.079 35.150 -93.641 1.00 50.75 ? 399 ASP B CG 1 ATOM 5456 O OD1 . ASP B 1 332 ? -28.104 34.703 -92.443 1.00 58.23 ? 399 ASP B OD1 1 ATOM 5457 O OD2 . ASP B 1 332 ? -28.322 36.334 -93.914 1.00 54.46 ? 399 ASP B OD2 1 ATOM 5458 N N . ASN B 1 333 ? -26.850 36.168 -97.070 1.00 42.93 ? 400 ASN B N 1 ATOM 5459 C CA . ASN B 1 333 ? -26.827 37.417 -97.796 1.00 39.80 ? 400 ASN B CA 1 ATOM 5460 C C . ASN B 1 333 ? -27.706 38.527 -97.239 1.00 39.82 ? 400 ASN B C 1 ATOM 5461 O O . ASN B 1 333 ? -27.771 39.593 -97.833 1.00 43.62 ? 400 ASN B O 1 ATOM 5462 C CB . ASN B 1 333 ? -27.085 37.216 -99.306 1.00 43.32 ? 400 ASN B CB 1 ATOM 5463 C CG . ASN B 1 333 ? -26.521 38.391 -100.170 1.00 53.98 ? 400 ASN B CG 1 ATOM 5464 O OD1 . ASN B 1 333 ? -25.519 39.047 -99.828 1.00 49.51 ? 400 ASN B OD1 1 ATOM 5465 N ND2 . ASN B 1 333 ? -27.211 38.691 -101.243 1.00 50.76 ? 400 ASN B ND2 1 ATOM 5466 N N . ASN B 1 334 ? -28.390 38.312 -96.123 1.00 40.02 ? 401 ASN B N 1 ATOM 5467 C CA . ASN B 1 334 ? -29.017 39.426 -95.410 1.00 41.97 ? 401 ASN B CA 1 ATOM 5468 C C . ASN B 1 334 ? -28.147 40.023 -94.333 1.00 41.96 ? 401 ASN B C 1 ATOM 5469 O O . ASN B 1 334 ? -28.625 40.824 -93.567 1.00 41.91 ? 401 ASN B O 1 ATOM 5470 C CB . ASN B 1 334 ? -30.295 38.942 -94.742 1.00 50.14 ? 401 ASN B CB 1 ATOM 5471 C CG . ASN B 1 334 ? -31.339 38.536 -95.743 1.00 57.69 ? 401 ASN B CG 1 ATOM 5472 O OD1 . ASN B 1 334 ? -31.493 39.152 -96.804 1.00 58.57 ? 401 ASN B OD1 1 ATOM 5473 N ND2 . ASN B 1 334 ? -32.036 37.483 -95.436 1.00 64.06 ? 401 ASN B ND2 1 ATOM 5474 N N . ASN B 1 335 ? -26.874 39.631 -94.268 1.00 38.10 ? 402 ASN B N 1 ATOM 5475 C CA . ASN B 1 335 ? -25.940 40.119 -93.256 1.00 38.50 ? 402 ASN B CA 1 ATOM 5476 C C . ASN B 1 335 ? -24.612 40.546 -93.824 1.00 37.79 ? 402 ASN B C 1 ATOM 5477 O O . ASN B 1 335 ? -24.198 40.092 -94.884 1.00 39.47 ? 402 ASN B O 1 ATOM 5478 C CB . ASN B 1 335 ? -25.693 39.030 -92.238 1.00 40.36 ? 402 ASN B CB 1 ATOM 5479 C CG . ASN B 1 335 ? -26.903 38.821 -91.335 1.00 41.97 ? 402 ASN B CG 1 ATOM 5480 O OD1 . ASN B 1 335 ? -27.117 39.558 -90.423 1.00 43.72 ? 402 ASN B OD1 1 ATOM 5481 N ND2 . ASN B 1 335 ? -27.685 37.838 -91.623 1.00 43.30 ? 402 ASN B ND2 1 ATOM 5482 N N . TRP B 1 336 ? -23.980 41.465 -93.124 1.00 42.20 ? 403 TRP B N 1 ATOM 5483 C CA . TRP B 1 336 ? -22.781 42.116 -93.594 1.00 43.30 ? 403 TRP B CA 1 ATOM 5484 C C . TRP B 1 336 ? -21.615 41.206 -93.304 1.00 43.76 ? 403 TRP B C 1 ATOM 5485 O O . TRP B 1 336 ? -21.580 40.526 -92.270 1.00 44.58 ? 403 TRP B O 1 ATOM 5486 C CB . TRP B 1 336 ? -22.574 43.487 -92.899 1.00 43.97 ? 403 TRP B CB 1 ATOM 5487 C CG . TRP B 1 336 ? -23.652 44.394 -93.192 1.00 45.50 ? 403 TRP B CG 1 ATOM 5488 C CD1 . TRP B 1 336 ? -24.603 44.807 -92.335 1.00 47.18 ? 403 TRP B CD1 1 ATOM 5489 C CD2 . TRP B 1 336 ? -23.966 44.982 -94.467 1.00 40.64 ? 403 TRP B CD2 1 ATOM 5490 N NE1 . TRP B 1 336 ? -25.480 45.612 -92.984 1.00 47.01 ? 403 TRP B NE1 1 ATOM 5491 C CE2 . TRP B 1 336 ? -25.133 45.716 -94.296 1.00 41.15 ? 403 TRP B CE2 1 ATOM 5492 C CE3 . TRP B 1 336 ? -23.403 44.896 -95.737 1.00 42.58 ? 403 TRP B CE3 1 ATOM 5493 C CZ2 . TRP B 1 336 ? -25.743 46.432 -95.328 1.00 44.04 ? 403 TRP B CZ2 1 ATOM 5494 C CZ3 . TRP B 1 336 ? -24.025 45.564 -96.789 1.00 44.48 ? 403 TRP B CZ3 1 ATOM 5495 C CH2 . TRP B 1 336 ? -25.176 46.345 -96.567 1.00 44.99 ? 403 TRP B CH2 1 ATOM 5496 N N . SER B 1 337 ? -20.685 41.201 -94.245 1.00 40.24 ? 404 SER B N 1 ATOM 5497 C CA . SER B 1 337 ? -19.426 40.513 -94.059 1.00 39.92 ? 404 SER B CA 1 ATOM 5498 C C . SER B 1 337 ? -18.319 41.564 -94.057 1.00 36.59 ? 404 SER B C 1 ATOM 5499 O O . SER B 1 337 ? -18.448 42.601 -93.389 1.00 39.16 ? 404 SER B O 1 ATOM 5500 C CB . SER B 1 337 ? -19.245 39.388 -95.098 1.00 37.26 ? 404 SER B CB 1 ATOM 5501 O OG . SER B 1 337 ? -19.295 39.832 -96.443 1.00 38.65 ? 404 SER B OG 1 ATOM 5502 N N . GLY B 1 338 ? -17.253 41.321 -94.796 1.00 36.99 ? 405 GLY B N 1 ATOM 5503 C CA . GLY B 1 338 ? -16.056 42.156 -94.697 1.00 38.14 ? 405 GLY B CA 1 ATOM 5504 C C . GLY B 1 338 ? -14.868 41.377 -95.206 1.00 36.94 ? 405 GLY B C 1 ATOM 5505 O O . GLY B 1 338 ? -14.977 40.471 -96.047 1.00 43.24 ? 405 GLY B O 1 ATOM 5506 N N . TYR B 1 339 ? -13.709 41.711 -94.684 1.00 37.08 ? 406 TYR B N 1 ATOM 5507 C CA . TYR B 1 339 ? -12.486 41.013 -95.066 1.00 32.63 ? 406 TYR B CA 1 ATOM 5508 C C . TYR B 1 339 ? -12.525 39.563 -94.686 1.00 32.59 ? 406 TYR B C 1 ATOM 5509 O O . TYR B 1 339 ? -13.219 39.193 -93.740 1.00 33.25 ? 406 TYR B O 1 ATOM 5510 C CB . TYR B 1 339 ? -11.302 41.648 -94.362 1.00 33.80 ? 406 TYR B CB 1 ATOM 5511 C CG . TYR B 1 339 ? -10.775 42.931 -94.960 1.00 35.02 ? 406 TYR B CG 1 ATOM 5512 C CD1 . TYR B 1 339 ? -11.473 43.662 -95.916 1.00 34.48 ? 406 TYR B CD1 1 ATOM 5513 C CD2 . TYR B 1 339 ? -9.537 43.424 -94.531 1.00 35.95 ? 406 TYR B CD2 1 ATOM 5514 C CE1 . TYR B 1 339 ? -10.954 44.867 -96.409 1.00 36.90 ? 406 TYR B CE1 1 ATOM 5515 C CE2 . TYR B 1 339 ? -9.022 44.585 -95.031 1.00 35.03 ? 406 TYR B CE2 1 ATOM 5516 C CZ . TYR B 1 339 ? -9.730 45.310 -95.954 1.00 35.57 ? 406 TYR B CZ 1 ATOM 5517 O OH . TYR B 1 339 ? -9.134 46.451 -96.458 1.00 40.44 ? 406 TYR B OH 1 ATOM 5518 N N . SER B 1 340 ? -11.751 38.728 -95.392 1.00 32.67 ? 407 SER B N 1 ATOM 5519 C CA . SER B 1 340 ? -11.541 37.341 -94.941 1.00 34.87 ? 407 SER B CA 1 ATOM 5520 C C . SER B 1 340 ? -10.158 36.975 -95.233 1.00 35.40 ? 407 SER B C 1 ATOM 5521 O O . SER B 1 340 ? -9.520 37.609 -96.069 1.00 34.47 ? 407 SER B O 1 ATOM 5522 C CB . SER B 1 340 ? -12.485 36.353 -95.624 1.00 35.63 ? 407 SER B CB 1 ATOM 5523 O OG . SER B 1 340 ? -12.437 36.526 -97.024 1.00 38.23 ? 407 SER B OG 1 ATOM 5524 N N . GLY B 1 341 ? -9.688 35.949 -94.545 1.00 34.55 ? 408 GLY B N 1 ATOM 5525 C CA . GLY B 1 341 ? -8.348 35.463 -94.775 1.00 35.18 ? 408 GLY B CA 1 ATOM 5526 C C . GLY B 1 341 ? -8.119 34.027 -94.300 1.00 38.83 ? 408 GLY B C 1 ATOM 5527 O O . GLY B 1 341 ? -8.927 33.447 -93.560 1.00 38.06 ? 408 GLY B O 1 ATOM 5528 N N . ILE B 1 342 ? -6.955 33.502 -94.652 1.00 35.75 ? 409 ILE B N 1 ATOM 5529 C CA . ILE B 1 342 ? -6.588 32.136 -94.368 1.00 32.99 ? 409 ILE B CA 1 ATOM 5530 C C . ILE B 1 342 ? -5.567 32.052 -93.210 1.00 33.72 ? 409 ILE B C 1 ATOM 5531 O O . ILE B 1 342 ? -4.826 32.977 -92.955 1.00 31.80 ? 409 ILE B O 1 ATOM 5532 C CB . ILE B 1 342 ? -6.016 31.521 -95.640 1.00 36.28 ? 409 ILE B CB 1 ATOM 5533 C CG1 . ILE B 1 342 ? -5.991 30.014 -95.592 1.00 38.71 ? 409 ILE B CG1 1 ATOM 5534 C CG2 . ILE B 1 342 ? -4.607 32.033 -95.967 1.00 34.52 ? 409 ILE B CG2 1 ATOM 5535 C CD1 . ILE B 1 342 ? -5.625 29.404 -96.949 1.00 37.06 ? 409 ILE B CD1 1 ATOM 5536 N N . PHE B 1 343 ? -5.607 30.940 -92.494 1.00 29.88 ? 410 PHE B N 1 ATOM 5537 C CA . PHE B 1 343 ? -4.569 30.517 -91.612 1.00 32.43 ? 410 PHE B CA 1 ATOM 5538 C C . PHE B 1 343 ? -4.431 28.993 -91.663 1.00 32.88 ? 410 PHE B C 1 ATOM 5539 O O . PHE B 1 343 ? -5.332 28.294 -92.134 1.00 34.54 ? 410 PHE B O 1 ATOM 5540 C CB . PHE B 1 343 ? -4.726 31.027 -90.156 1.00 32.42 ? 410 PHE B CB 1 ATOM 5541 C CG . PHE B 1 343 ? -5.897 30.490 -89.410 1.00 32.27 ? 410 PHE B CG 1 ATOM 5542 C CD1 . PHE B 1 343 ? -5.719 29.519 -88.423 1.00 34.68 ? 410 PHE B CD1 1 ATOM 5543 C CD2 . PHE B 1 343 ? -7.157 30.942 -89.675 1.00 33.09 ? 410 PHE B CD2 1 ATOM 5544 C CE1 . PHE B 1 343 ? -6.762 29.083 -87.634 1.00 33.28 ? 410 PHE B CE1 1 ATOM 5545 C CE2 . PHE B 1 343 ? -8.241 30.483 -88.909 1.00 33.60 ? 410 PHE B CE2 1 ATOM 5546 C CZ . PHE B 1 343 ? -8.040 29.564 -87.887 1.00 34.64 ? 410 PHE B CZ 1 ATOM 5547 N N . SER B 1 344 ? -3.268 28.499 -91.241 1.00 31.46 ? 411 SER B N 1 ATOM 5548 C CA . SER B 1 344 ? -2.927 27.079 -91.398 1.00 33.44 ? 411 SER B CA 1 ATOM 5549 C C . SER B 1 344 ? -2.562 26.484 -90.079 1.00 34.53 ? 411 SER B C 1 ATOM 5550 O O . SER B 1 344 ? -2.019 27.161 -89.214 1.00 33.18 ? 411 SER B O 1 ATOM 5551 C CB . SER B 1 344 ? -1.766 26.878 -92.404 1.00 37.72 ? 411 SER B CB 1 ATOM 5552 O OG . SER B 1 344 ? -2.085 27.456 -93.671 1.00 38.10 ? 411 SER B OG 1 ATOM 5553 N N . VAL B 1 345 ? -2.859 25.195 -89.924 1.00 38.17 ? 412 VAL B N 1 ATOM 5554 C CA . VAL B 1 345 ? -2.654 24.489 -88.660 1.00 38.97 ? 412 VAL B CA 1 ATOM 5555 C C . VAL B 1 345 ? -2.018 23.123 -88.883 1.00 39.95 ? 412 VAL B C 1 ATOM 5556 O O . VAL B 1 345 ? -2.426 22.358 -89.758 1.00 43.64 ? 412 VAL B O 1 ATOM 5557 C CB . VAL B 1 345 ? -4.027 24.294 -87.956 1.00 41.16 ? 412 VAL B CB 1 ATOM 5558 C CG1 . VAL B 1 345 ? -3.877 23.492 -86.694 1.00 44.79 ? 412 VAL B CG1 1 ATOM 5559 C CG2 . VAL B 1 345 ? -4.620 25.593 -87.581 1.00 40.53 ? 412 VAL B CG2 1 ATOM 5560 N N . GLU B 1 346 ? -0.978 22.817 -88.122 1.00 47.86 ? 413 GLU B N 1 ATOM 5561 C CA . GLU B 1 346 ? -0.202 21.565 -88.311 1.00 48.07 ? 413 GLU B CA 1 ATOM 5562 C C . GLU B 1 346 ? -0.778 20.470 -87.482 1.00 47.22 ? 413 GLU B C 1 ATOM 5563 O O . GLU B 1 346 ? -0.821 20.580 -86.282 1.00 50.50 ? 413 GLU B O 1 ATOM 5564 C CB . GLU B 1 346 ? 1.257 21.768 -87.921 1.00 49.63 ? 413 GLU B CB 1 ATOM 5565 C CG . GLU B 1 346 ? 2.137 20.584 -88.308 1.00 64.01 ? 413 GLU B CG 1 ATOM 5566 C CD . GLU B 1 346 ? 3.643 20.883 -88.435 1.00 71.67 ? 413 GLU B CD 1 ATOM 5567 O OE1 . GLU B 1 346 ? 4.078 22.052 -88.298 1.00 83.42 ? 413 GLU B OE1 1 ATOM 5568 O OE2 . GLU B 1 346 ? 4.386 19.919 -88.721 1.00 71.52 ? 413 GLU B OE2 1 ATOM 5569 N N . GLY B 1 347 ? -1.287 19.424 -88.123 1.00 47.28 ? 414 GLY B N 1 ATOM 5570 C CA . GLY B 1 347 ? -1.773 18.233 -87.384 1.00 45.50 ? 414 GLY B CA 1 ATOM 5571 C C . GLY B 1 347 ? -0.662 17.211 -87.341 1.00 52.13 ? 414 GLY B C 1 ATOM 5572 O O . GLY B 1 347 ? 0.459 17.526 -87.703 1.00 44.97 ? 414 GLY B O 1 ATOM 5573 N N . LYS B 1 348 ? -0.957 16.009 -86.869 1.00 57.91 ? 415 LYS B N 1 ATOM 5574 C CA . LYS B 1 348 ? 0.053 14.964 -86.711 1.00 62.10 ? 415 LYS B CA 1 ATOM 5575 C C . LYS B 1 348 ? 0.574 14.490 -88.087 1.00 60.73 ? 415 LYS B C 1 ATOM 5576 O O . LYS B 1 348 ? 1.774 14.292 -88.274 1.00 58.43 ? 415 LYS B O 1 ATOM 5577 C CB . LYS B 1 348 ? -0.595 13.800 -85.979 1.00 75.26 ? 415 LYS B CB 1 ATOM 5578 C CG . LYS B 1 348 ? 0.293 12.647 -85.510 1.00 97.81 ? 415 LYS B CG 1 ATOM 5579 C CD . LYS B 1 348 ? -0.463 11.296 -85.527 1.00 106.98 ? 415 LYS B CD 1 ATOM 5580 C CE . LYS B 1 348 ? 0.465 10.102 -85.806 1.00 107.38 ? 415 LYS B CE 1 ATOM 5581 N NZ . LYS B 1 348 ? 0.873 9.356 -84.586 1.00 100.75 ? 415 LYS B NZ 1 ATOM 5582 N N A SER B 1 349 ? -0.325 14.357 -89.049 0.68 56.48 ? 416 SER B N 1 ATOM 5583 N N B SER B 1 349 ? -0.326 14.362 -89.051 0.32 57.45 ? 416 SER B N 1 ATOM 5584 C CA A SER B 1 349 ? 0.056 13.878 -90.370 0.68 59.90 ? 416 SER B CA 1 ATOM 5585 C CA B SER B 1 349 ? 0.049 13.865 -90.371 0.32 58.38 ? 416 SER B CA 1 ATOM 5586 C C A SER B 1 349 ? -0.143 14.858 -91.535 0.68 56.71 ? 416 SER B C 1 ATOM 5587 C C B SER B 1 349 ? -0.150 14.849 -91.536 0.32 55.94 ? 416 SER B C 1 ATOM 5588 O O A SER B 1 349 ? 0.340 14.591 -92.648 0.68 57.48 ? 416 SER B O 1 ATOM 5589 O O B SER B 1 349 ? 0.346 14.593 -92.641 0.32 56.16 ? 416 SER B O 1 ATOM 5590 C CB A SER B 1 349 ? -0.708 12.587 -90.674 0.68 64.17 ? 416 SER B CB 1 ATOM 5591 C CB B SER B 1 349 ? -0.708 12.559 -90.650 0.32 60.51 ? 416 SER B CB 1 ATOM 5592 O OG A SER B 1 349 ? -2.094 12.774 -90.468 0.68 60.97 ? 416 SER B OG 1 ATOM 5593 O OG B SER B 1 349 ? -0.446 11.591 -89.636 0.32 59.29 ? 416 SER B OG 1 ATOM 5594 N N . CYS B 1 350 ? -0.856 15.958 -91.315 1.00 51.86 ? 417 CYS B N 1 ATOM 5595 C CA . CYS B 1 350 ? -1.110 16.894 -92.400 1.00 53.85 ? 417 CYS B CA 1 ATOM 5596 C C . CYS B 1 350 ? -1.361 18.289 -91.940 1.00 46.53 ? 417 CYS B C 1 ATOM 5597 O O . CYS B 1 350 ? -1.600 18.536 -90.782 1.00 49.02 ? 417 CYS B O 1 ATOM 5598 C CB . CYS B 1 350 ? -2.265 16.386 -93.304 1.00 54.97 ? 417 CYS B CB 1 ATOM 5599 S SG . CYS B 1 350 ? -3.871 16.208 -92.485 1.00 62.49 ? 417 CYS B SG 1 ATOM 5600 N N . ILE B 1 351 ? -1.308 19.196 -92.906 1.00 43.72 ? 418 ILE B N 1 ATOM 5601 C CA . ILE B 1 351 ? -1.499 20.628 -92.705 1.00 43.66 ? 418 ILE B CA 1 ATOM 5602 C C . ILE B 1 351 ? -2.911 21.014 -93.125 1.00 44.35 ? 418 ILE B C 1 ATOM 5603 O O . ILE B 1 351 ? -3.304 20.848 -94.301 1.00 43.75 ? 418 ILE B O 1 ATOM 5604 C CB . ILE B 1 351 ? -0.583 21.478 -93.600 1.00 43.91 ? 418 ILE B CB 1 ATOM 5605 C CG1 . ILE B 1 351 ? 0.893 21.098 -93.419 1.00 44.36 ? 418 ILE B CG1 1 ATOM 5606 C CG2 . ILE B 1 351 ? -0.771 22.965 -93.302 1.00 48.28 ? 418 ILE B CG2 1 ATOM 5607 C CD1 . ILE B 1 351 ? 1.356 21.080 -91.977 1.00 47.65 ? 418 ILE B CD1 1 ATOM 5608 N N . ASN B 1 352 ? -3.667 21.540 -92.170 1.00 38.19 ? 419 ASN B N 1 ATOM 5609 C CA . ASN B 1 352 ? -5.030 21.946 -92.411 1.00 38.38 ? 419 ASN B CA 1 ATOM 5610 C C . ASN B 1 352 ? -5.079 23.452 -92.759 1.00 38.65 ? 419 ASN B C 1 ATOM 5611 O O . ASN B 1 352 ? -4.227 24.223 -92.383 1.00 36.71 ? 419 ASN B O 1 ATOM 5612 C CB . ASN B 1 352 ? -5.922 21.575 -91.199 1.00 36.75 ? 419 ASN B CB 1 ATOM 5613 C CG . ASN B 1 352 ? -7.414 21.565 -91.524 1.00 42.08 ? 419 ASN B CG 1 ATOM 5614 O OD1 . ASN B 1 352 ? -7.832 21.506 -92.682 1.00 40.84 ? 419 ASN B OD1 1 ATOM 5615 N ND2 . ASN B 1 352 ? -8.220 21.674 -90.496 1.00 42.59 ? 419 ASN B ND2 1 ATOM 5616 N N . ARG B 1 353 ? -6.094 23.830 -93.521 1.00 38.16 ? 420 ARG B N 1 ATOM 5617 C CA . ARG B 1 353 ? -6.353 25.204 -93.880 1.00 38.24 ? 420 ARG B CA 1 ATOM 5618 C C . ARG B 1 353 ? -7.644 25.634 -93.173 1.00 35.92 ? 420 ARG B C 1 ATOM 5619 O O . ARG B 1 353 ? -8.639 24.944 -93.243 1.00 36.95 ? 420 ARG B O 1 ATOM 5620 C CB . ARG B 1 353 ? -6.559 25.334 -95.414 1.00 39.64 ? 420 ARG B CB 1 ATOM 5621 C CG . ARG B 1 353 ? -5.464 24.783 -96.289 1.00 38.84 ? 420 ARG B CG 1 ATOM 5622 C CD . ARG B 1 353 ? -4.104 25.355 -95.946 1.00 42.43 ? 420 ARG B CD 1 ATOM 5623 N NE . ARG B 1 353 ? -3.133 24.729 -96.807 1.00 39.43 ? 420 ARG B NE 1 ATOM 5624 C CZ . ARG B 1 353 ? -1.835 24.861 -96.727 1.00 38.66 ? 420 ARG B CZ 1 ATOM 5625 N NH1 . ARG B 1 353 ? -1.273 25.589 -95.787 1.00 36.98 ? 420 ARG B NH1 1 ATOM 5626 N NH2 . ARG B 1 353 ? -1.095 24.255 -97.628 1.00 38.10 ? 420 ARG B NH2 1 ATOM 5627 N N . CYS B 1 354 ? -7.634 26.836 -92.613 1.00 35.17 ? 421 CYS B N 1 ATOM 5628 C CA . CYS B 1 354 ? -8.775 27.455 -91.927 1.00 33.77 ? 421 CYS B CA 1 ATOM 5629 C C . CYS B 1 354 ? -8.958 28.899 -92.414 1.00 34.90 ? 421 CYS B C 1 ATOM 5630 O O . CYS B 1 354 ? -8.057 29.484 -93.060 1.00 34.13 ? 421 CYS B O 1 ATOM 5631 C CB . CYS B 1 354 ? -8.511 27.483 -90.427 1.00 37.83 ? 421 CYS B CB 1 ATOM 5632 S SG . CYS B 1 354 ? -8.177 25.886 -89.647 1.00 37.90 ? 421 CYS B SG 1 ATOM 5633 N N . PHE B 1 355 ? -10.129 29.489 -92.151 1.00 31.53 ? 422 PHE B N 1 ATOM 5634 C CA . PHE B 1 355 ? -10.321 30.885 -92.496 1.00 29.82 ? 422 PHE B CA 1 ATOM 5635 C C . PHE B 1 355 ? -11.184 31.598 -91.476 1.00 31.61 ? 422 PHE B C 1 ATOM 5636 O O . PHE B 1 355 ? -11.917 30.966 -90.711 1.00 28.66 ? 422 PHE B O 1 ATOM 5637 C CB . PHE B 1 355 ? -10.900 31.056 -93.914 1.00 33.33 ? 422 PHE B CB 1 ATOM 5638 C CG . PHE B 1 355 ? -12.260 30.547 -94.060 1.00 31.56 ? 422 PHE B CG 1 ATOM 5639 C CD1 . PHE B 1 355 ? -12.474 29.225 -94.319 1.00 36.01 ? 422 PHE B CD1 1 ATOM 5640 C CD2 . PHE B 1 355 ? -13.330 31.384 -93.974 1.00 36.09 ? 422 PHE B CD2 1 ATOM 5641 C CE1 . PHE B 1 355 ? -13.785 28.731 -94.462 1.00 39.89 ? 422 PHE B CE1 1 ATOM 5642 C CE2 . PHE B 1 355 ? -14.646 30.902 -94.082 1.00 40.73 ? 422 PHE B CE2 1 ATOM 5643 C CZ . PHE B 1 355 ? -14.872 29.562 -94.352 1.00 34.62 ? 422 PHE B CZ 1 ATOM 5644 N N . TYR B 1 356 ? -11.072 32.932 -91.489 1.00 31.84 ? 423 TYR B N 1 ATOM 5645 C CA . TYR B 1 356 ? -11.893 33.813 -90.675 1.00 34.26 ? 423 TYR B CA 1 ATOM 5646 C C . TYR B 1 356 ? -12.680 34.741 -91.627 1.00 34.20 ? 423 TYR B C 1 ATOM 5647 O O . TYR B 1 356 ? -12.222 35.053 -92.725 1.00 33.19 ? 423 TYR B O 1 ATOM 5648 C CB . TYR B 1 356 ? -11.031 34.622 -89.672 1.00 31.58 ? 423 TYR B CB 1 ATOM 5649 C CG . TYR B 1 356 ? -10.130 35.577 -90.361 1.00 32.70 ? 423 TYR B CG 1 ATOM 5650 C CD1 . TYR B 1 356 ? -8.852 35.203 -90.751 1.00 33.85 ? 423 TYR B CD1 1 ATOM 5651 C CD2 . TYR B 1 356 ? -10.570 36.829 -90.692 1.00 35.79 ? 423 TYR B CD2 1 ATOM 5652 C CE1 . TYR B 1 356 ? -8.050 36.066 -91.458 1.00 34.74 ? 423 TYR B CE1 1 ATOM 5653 C CE2 . TYR B 1 356 ? -9.774 37.700 -91.406 1.00 41.28 ? 423 TYR B CE2 1 ATOM 5654 C CZ . TYR B 1 356 ? -8.515 37.296 -91.801 1.00 37.89 ? 423 TYR B CZ 1 ATOM 5655 O OH . TYR B 1 356 ? -7.783 38.205 -92.512 1.00 42.48 ? 423 TYR B OH 1 ATOM 5656 N N . VAL B 1 357 ? -13.821 35.212 -91.156 1.00 33.08 ? 424 VAL B N 1 ATOM 5657 C CA . VAL B 1 357 ? -14.564 36.270 -91.805 1.00 33.28 ? 424 VAL B CA 1 ATOM 5658 C C . VAL B 1 357 ? -14.816 37.414 -90.816 1.00 32.01 ? 424 VAL B C 1 ATOM 5659 O O . VAL B 1 357 ? -15.378 37.218 -89.752 1.00 36.63 ? 424 VAL B O 1 ATOM 5660 C CB . VAL B 1 357 ? -15.906 35.781 -92.340 1.00 35.38 ? 424 VAL B CB 1 ATOM 5661 C CG1 . VAL B 1 357 ? -16.561 36.839 -93.192 1.00 34.73 ? 424 VAL B CG1 1 ATOM 5662 C CG2 . VAL B 1 357 ? -15.757 34.522 -93.133 1.00 38.94 ? 424 VAL B CG2 1 ATOM 5663 N N . GLU B 1 358 ? -14.422 38.614 -91.221 1.00 33.32 ? 425 GLU B N 1 ATOM 5664 C CA . GLU B 1 358 ? -14.776 39.872 -90.549 1.00 36.58 ? 425 GLU B CA 1 ATOM 5665 C C . GLU B 1 358 ? -16.239 40.235 -90.848 1.00 38.53 ? 425 GLU B C 1 ATOM 5666 O O . GLU B 1 358 ? -16.632 40.277 -92.006 1.00 38.00 ? 425 GLU B O 1 ATOM 5667 C CB . GLU B 1 358 ? -13.879 41.002 -91.100 1.00 34.43 ? 425 GLU B CB 1 ATOM 5668 C CG . GLU B 1 358 ? -13.987 42.315 -90.362 1.00 35.40 ? 425 GLU B CG 1 ATOM 5669 C CD . GLU B 1 358 ? -13.291 43.468 -91.082 1.00 38.19 ? 425 GLU B CD 1 ATOM 5670 O OE1 . GLU B 1 358 ? -13.179 43.454 -92.335 1.00 41.13 ? 425 GLU B OE1 1 ATOM 5671 O OE2 . GLU B 1 358 ? -12.894 44.438 -90.395 1.00 40.20 ? 425 GLU B OE2 1 ATOM 5672 N N . LEU B 1 359 ? -17.014 40.477 -89.799 1.00 35.00 ? 426 LEU B N 1 ATOM 5673 C CA . LEU B 1 359 ? -18.390 40.905 -89.885 1.00 35.39 ? 426 LEU B CA 1 ATOM 5674 C C . LEU B 1 359 ? -18.478 42.383 -89.445 1.00 37.33 ? 426 LEU B C 1 ATOM 5675 O O . LEU B 1 359 ? -18.553 42.668 -88.244 1.00 36.50 ? 426 LEU B O 1 ATOM 5676 C CB . LEU B 1 359 ? -19.238 40.012 -88.947 1.00 38.80 ? 426 LEU B CB 1 ATOM 5677 C CG . LEU B 1 359 ? -18.901 38.526 -89.124 1.00 39.51 ? 426 LEU B CG 1 ATOM 5678 C CD1 . LEU B 1 359 ? -19.559 37.656 -88.102 1.00 43.61 ? 426 LEU B CD1 1 ATOM 5679 C CD2 . LEU B 1 359 ? -19.248 38.021 -90.521 1.00 41.03 ? 426 LEU B CD2 1 ATOM 5680 N N . ILE B 1 360 ? -18.482 43.291 -90.419 1.00 36.22 ? 427 ILE B N 1 ATOM 5681 C CA . ILE B 1 360 ? -18.411 44.708 -90.170 1.00 34.74 ? 427 ILE B CA 1 ATOM 5682 C C . ILE B 1 360 ? -19.795 45.245 -89.861 1.00 39.59 ? 427 ILE B C 1 ATOM 5683 O O . ILE B 1 360 ? -20.746 44.949 -90.582 1.00 41.28 ? 427 ILE B O 1 ATOM 5684 C CB . ILE B 1 360 ? -17.938 45.457 -91.395 1.00 33.59 ? 427 ILE B CB 1 ATOM 5685 C CG1 . ILE B 1 360 ? -16.563 44.970 -91.760 1.00 36.66 ? 427 ILE B CG1 1 ATOM 5686 C CG2 . ILE B 1 360 ? -17.880 46.928 -91.129 1.00 33.77 ? 427 ILE B CG2 1 ATOM 5687 C CD1 . ILE B 1 360 ? -16.016 45.574 -93.050 1.00 38.96 ? 427 ILE B CD1 1 ATOM 5688 N N . ARG B 1 361 ? -19.893 46.021 -88.769 1.00 37.50 ? 428 ARG B N 1 ATOM 5689 C CA . ARG B 1 361 ? -21.106 46.692 -88.399 1.00 36.25 ? 428 ARG B CA 1 ATOM 5690 C C . ARG B 1 361 ? -20.864 48.204 -88.221 1.00 35.60 ? 428 ARG B C 1 ATOM 5691 O O . ARG B 1 361 ? -19.761 48.648 -87.925 1.00 40.68 ? 428 ARG B O 1 ATOM 5692 C CB . ARG B 1 361 ? -21.683 46.116 -87.098 1.00 37.18 ? 428 ARG B CB 1 ATOM 5693 C CG . ARG B 1 361 ? -21.920 44.605 -87.061 1.00 35.69 ? 428 ARG B CG 1 ATOM 5694 C CD . ARG B 1 361 ? -22.900 44.123 -88.161 1.00 35.92 ? 428 ARG B CD 1 ATOM 5695 N NE . ARG B 1 361 ? -24.187 44.782 -88.070 1.00 35.57 ? 428 ARG B NE 1 ATOM 5696 C CZ . ARG B 1 361 ? -25.259 44.369 -87.382 1.00 34.36 ? 428 ARG B CZ 1 ATOM 5697 N NH1 . ARG B 1 361 ? -25.305 43.212 -86.737 1.00 32.91 ? 428 ARG B NH1 1 ATOM 5698 N NH2 . ARG B 1 361 ? -26.344 45.125 -87.412 1.00 40.60 ? 428 ARG B NH2 1 ATOM 5699 N N . GLY B 1 362 ? -21.924 48.985 -88.360 1.00 35.97 ? 429 GLY B N 1 ATOM 5700 C CA . GLY B 1 362 ? -21.821 50.433 -88.303 1.00 38.83 ? 429 GLY B CA 1 ATOM 5701 C C . GLY B 1 362 ? -21.544 51.090 -89.669 1.00 38.73 ? 429 GLY B C 1 ATOM 5702 O O . GLY B 1 362 ? -22.014 50.592 -90.712 1.00 42.65 ? 429 GLY B O 1 ATOM 5703 N N . ARG B 1 363 ? -20.822 52.200 -89.665 1.00 37.56 ? 430 ARG B N 1 ATOM 5704 C CA . ARG B 1 363 ? -20.632 52.988 -90.875 1.00 44.79 ? 430 ARG B CA 1 ATOM 5705 C C . ARG B 1 363 ? -19.690 52.262 -91.853 1.00 42.76 ? 430 ARG B C 1 ATOM 5706 O O . ARG B 1 363 ? -18.804 51.539 -91.406 1.00 40.97 ? 430 ARG B O 1 ATOM 5707 C CB . ARG B 1 363 ? -20.010 54.344 -90.569 1.00 48.22 ? 430 ARG B CB 1 ATOM 5708 C CG . ARG B 1 363 ? -20.784 55.268 -89.655 1.00 53.03 ? 430 ARG B CG 1 ATOM 5709 C CD . ARG B 1 363 ? -21.949 55.801 -90.391 1.00 61.70 ? 430 ARG B CD 1 ATOM 5710 N NE . ARG B 1 363 ? -22.818 56.629 -89.567 1.00 68.11 ? 430 ARG B NE 1 ATOM 5711 C CZ . ARG B 1 363 ? -23.053 57.917 -89.775 1.00 64.00 ? 430 ARG B CZ 1 ATOM 5712 N NH1 . ARG B 1 363 ? -22.433 58.535 -90.743 1.00 61.93 ? 430 ARG B NH1 1 ATOM 5713 N NH2 . ARG B 1 363 ? -23.895 58.577 -89.004 1.00 58.81 ? 430 ARG B NH2 1 ATOM 5714 N N . PRO B 1 364 ? -19.873 52.457 -93.180 1.00 47.58 ? 431 PRO B N 1 ATOM 5715 C CA . PRO B 1 364 ? -20.854 53.359 -93.838 1.00 48.56 ? 431 PRO B CA 1 ATOM 5716 C C . PRO B 1 364 ? -22.258 52.776 -94.058 1.00 47.95 ? 431 PRO B C 1 ATOM 5717 O O . PRO B 1 364 ? -23.195 53.511 -94.330 1.00 54.88 ? 431 PRO B O 1 ATOM 5718 C CB . PRO B 1 364 ? -20.185 53.645 -95.210 1.00 44.11 ? 431 PRO B CB 1 ATOM 5719 C CG . PRO B 1 364 ? -19.505 52.355 -95.519 1.00 48.49 ? 431 PRO B CG 1 ATOM 5720 C CD . PRO B 1 364 ? -19.027 51.767 -94.196 1.00 48.51 ? 431 PRO B CD 1 ATOM 5721 N N . GLN B 1 365 ? -22.417 51.476 -93.948 1.00 49.51 ? 432 GLN B N 1 ATOM 5722 C CA . GLN B 1 365 ? -23.695 50.862 -94.298 1.00 47.82 ? 432 GLN B CA 1 ATOM 5723 C C . GLN B 1 365 ? -24.816 51.114 -93.311 1.00 49.11 ? 432 GLN B C 1 ATOM 5724 O O . GLN B 1 365 ? -25.967 51.119 -93.680 1.00 53.65 ? 432 GLN B O 1 ATOM 5725 C CB . GLN B 1 365 ? -23.534 49.350 -94.446 1.00 47.12 ? 432 GLN B CB 1 ATOM 5726 C CG . GLN B 1 365 ? -22.679 48.899 -95.613 1.00 47.99 ? 432 GLN B CG 1 ATOM 5727 C CD . GLN B 1 365 ? -23.206 49.356 -97.020 1.00 53.47 ? 432 GLN B CD 1 ATOM 5728 O OE1 . GLN B 1 365 ? -24.394 49.661 -97.226 1.00 53.70 ? 432 GLN B OE1 1 ATOM 5729 N NE2 . GLN B 1 365 ? -22.311 49.402 -97.969 1.00 52.72 ? 432 GLN B NE2 1 ATOM 5730 N N . GLU B 1 366 ? -24.489 51.292 -92.040 1.00 54.08 ? 433 GLU B N 1 ATOM 5731 C CA . GLU B 1 366 ? -25.501 51.455 -90.980 1.00 48.23 ? 433 GLU B CA 1 ATOM 5732 C C . GLU B 1 366 ? -25.316 52.802 -90.294 1.00 45.57 ? 433 GLU B C 1 ATOM 5733 O O . GLU B 1 366 ? -24.448 52.975 -89.452 1.00 56.66 ? 433 GLU B O 1 ATOM 5734 C CB . GLU B 1 366 ? -25.400 50.274 -89.982 1.00 46.11 ? 433 GLU B CB 1 ATOM 5735 C CG . GLU B 1 366 ? -25.712 48.906 -90.620 1.00 50.36 ? 433 GLU B CG 1 ATOM 5736 C CD . GLU B 1 366 ? -25.476 47.696 -89.716 1.00 48.41 ? 433 GLU B CD 1 ATOM 5737 O OE1 . GLU B 1 366 ? -26.466 47.034 -89.381 1.00 53.77 ? 433 GLU B OE1 1 ATOM 5738 O OE2 . GLU B 1 366 ? -24.311 47.406 -89.342 1.00 48.64 ? 433 GLU B OE2 1 ATOM 5739 N N . THR B 1 367 ? -26.173 53.742 -90.619 1.00 52.52 ? 434 THR B N 1 ATOM 5740 C CA . THR B 1 367 ? -26.009 55.143 -90.201 1.00 52.55 ? 434 THR B CA 1 ATOM 5741 C C . THR B 1 367 ? -26.771 55.568 -88.940 1.00 45.38 ? 434 THR B C 1 ATOM 5742 O O . THR B 1 367 ? -26.617 56.685 -88.487 1.00 49.52 ? 434 THR B O 1 ATOM 5743 C CB . THR B 1 367 ? -26.395 56.105 -91.337 1.00 54.64 ? 434 THR B CB 1 ATOM 5744 O OG1 . THR B 1 367 ? -27.758 55.879 -91.687 1.00 54.58 ? 434 THR B OG1 1 ATOM 5745 C CG2 . THR B 1 367 ? -25.496 55.888 -92.561 1.00 54.68 ? 434 THR B CG2 1 ATOM 5746 N N . ARG B 1 368 ? -27.553 54.703 -88.333 1.00 45.00 ? 435 ARG B N 1 ATOM 5747 C CA . ARG B 1 368 ? -28.075 55.040 -87.010 1.00 43.87 ? 435 ARG B CA 1 ATOM 5748 C C . ARG B 1 368 ? -26.914 55.305 -85.978 1.00 48.12 ? 435 ARG B C 1 ATOM 5749 O O . ARG B 1 368 ? -27.081 56.045 -85.032 1.00 51.99 ? 435 ARG B O 1 ATOM 5750 C CB . ARG B 1 368 ? -28.987 53.949 -86.506 1.00 47.34 ? 435 ARG B CB 1 ATOM 5751 C CG . ARG B 1 368 ? -29.278 54.102 -85.012 1.00 52.79 ? 435 ARG B CG 1 ATOM 5752 C CD . ARG B 1 368 ? -30.267 53.115 -84.443 1.00 52.26 ? 435 ARG B CD 1 ATOM 5753 N NE . ARG B 1 368 ? -30.559 53.558 -83.076 1.00 55.61 ? 435 ARG B NE 1 ATOM 5754 C CZ . ARG B 1 368 ? -29.898 53.210 -81.965 1.00 61.44 ? 435 ARG B CZ 1 ATOM 5755 N NH1 . ARG B 1 368 ? -28.857 52.341 -81.954 1.00 56.12 ? 435 ARG B NH1 1 ATOM 5756 N NH2 . ARG B 1 368 ? -30.312 53.727 -80.813 1.00 61.84 ? 435 ARG B NH2 1 ATOM 5757 N N . VAL B 1 369 ? -25.756 54.671 -86.164 1.00 48.84 ? 436 VAL B N 1 ATOM 5758 C CA . VAL B 1 369 ? -24.635 54.840 -85.248 1.00 47.86 ? 436 VAL B CA 1 ATOM 5759 C C . VAL B 1 369 ? -23.541 55.599 -85.923 1.00 46.14 ? 436 VAL B C 1 ATOM 5760 O O . VAL B 1 369 ? -23.548 55.735 -87.123 1.00 47.30 ? 436 VAL B O 1 ATOM 5761 C CB . VAL B 1 369 ? -24.058 53.486 -84.736 1.00 48.38 ? 436 VAL B CB 1 ATOM 5762 C CG1 . VAL B 1 369 ? -25.132 52.676 -84.002 1.00 49.93 ? 436 VAL B CG1 1 ATOM 5763 C CG2 . VAL B 1 369 ? -23.432 52.669 -85.864 1.00 44.71 ? 436 VAL B CG2 1 ATOM 5764 N N . TRP B 1 370 ? -22.583 56.063 -85.128 1.00 46.06 ? 437 TRP B N 1 ATOM 5765 C CA . TRP B 1 370 ? -21.450 56.869 -85.625 1.00 43.22 ? 437 TRP B CA 1 ATOM 5766 C C . TRP B 1 370 ? -20.145 56.112 -85.665 1.00 39.22 ? 437 TRP B C 1 ATOM 5767 O O . TRP B 1 370 ? -19.133 56.642 -86.085 1.00 44.24 ? 437 TRP B O 1 ATOM 5768 C CB . TRP B 1 370 ? -21.308 58.136 -84.771 1.00 44.18 ? 437 TRP B CB 1 ATOM 5769 C CG . TRP B 1 370 ? -22.422 59.108 -84.988 1.00 53.60 ? 437 TRP B CG 1 ATOM 5770 C CD1 . TRP B 1 370 ? -23.569 59.163 -84.297 1.00 59.87 ? 437 TRP B CD1 1 ATOM 5771 C CD2 . TRP B 1 370 ? -22.494 60.150 -85.991 1.00 59.58 ? 437 TRP B CD2 1 ATOM 5772 N NE1 . TRP B 1 370 ? -24.364 60.160 -84.788 1.00 62.39 ? 437 TRP B NE1 1 ATOM 5773 C CE2 . TRP B 1 370 ? -23.735 60.788 -85.823 1.00 64.10 ? 437 TRP B CE2 1 ATOM 5774 C CE3 . TRP B 1 370 ? -21.622 60.600 -87.010 1.00 62.75 ? 437 TRP B CE3 1 ATOM 5775 C CZ2 . TRP B 1 370 ? -24.153 61.861 -86.630 1.00 71.49 ? 437 TRP B CZ2 1 ATOM 5776 C CZ3 . TRP B 1 370 ? -22.026 61.670 -87.816 1.00 72.01 ? 437 TRP B CZ3 1 ATOM 5777 C CH2 . TRP B 1 370 ? -23.285 62.292 -87.618 1.00 74.15 ? 437 TRP B CH2 1 ATOM 5778 N N . TRP B 1 371 ? -20.165 54.863 -85.218 1.00 40.05 ? 438 TRP B N 1 ATOM 5779 C CA . TRP B 1 371 ? -18.962 54.057 -85.129 1.00 36.52 ? 438 TRP B CA 1 ATOM 5780 C C . TRP B 1 371 ? -18.917 53.021 -86.242 1.00 37.35 ? 438 TRP B C 1 ATOM 5781 O O . TRP B 1 371 ? -19.888 52.829 -86.969 1.00 34.20 ? 438 TRP B O 1 ATOM 5782 C CB . TRP B 1 371 ? -18.817 53.393 -83.745 1.00 36.73 ? 438 TRP B CB 1 ATOM 5783 C CG . TRP B 1 371 ? -20.014 52.770 -83.255 1.00 38.76 ? 438 TRP B CG 1 ATOM 5784 C CD1 . TRP B 1 371 ? -20.873 53.291 -82.324 1.00 39.02 ? 438 TRP B CD1 1 ATOM 5785 C CD2 . TRP B 1 371 ? -20.535 51.472 -83.615 1.00 40.90 ? 438 TRP B CD2 1 ATOM 5786 N NE1 . TRP B 1 371 ? -21.937 52.421 -82.151 1.00 40.65 ? 438 TRP B NE1 1 ATOM 5787 C CE2 . TRP B 1 371 ? -21.724 51.286 -82.895 1.00 40.57 ? 438 TRP B CE2 1 ATOM 5788 C CE3 . TRP B 1 371 ? -20.102 50.443 -84.467 1.00 41.59 ? 438 TRP B CE3 1 ATOM 5789 C CZ2 . TRP B 1 371 ? -22.495 50.138 -83.035 1.00 38.73 ? 438 TRP B CZ2 1 ATOM 5790 C CZ3 . TRP B 1 371 ? -20.881 49.307 -84.610 1.00 36.53 ? 438 TRP B CZ3 1 ATOM 5791 C CH2 . TRP B 1 371 ? -22.047 49.164 -83.888 1.00 38.94 ? 438 TRP B CH2 1 ATOM 5792 N N . THR B 1 372 ? -17.758 52.370 -86.384 1.00 35.35 ? 439 THR B N 1 ATOM 5793 C CA . THR B 1 372 ? -17.592 51.236 -87.251 1.00 35.19 ? 439 THR B CA 1 ATOM 5794 C C . THR B 1 372 ? -16.818 50.221 -86.410 1.00 34.67 ? 439 THR B C 1 ATOM 5795 O O . THR B 1 372 ? -15.799 50.551 -85.831 1.00 36.68 ? 439 THR B O 1 ATOM 5796 C CB . THR B 1 372 ? -16.754 51.621 -88.517 1.00 35.77 ? 439 THR B CB 1 ATOM 5797 O OG1 . THR B 1 372 ? -17.449 52.581 -89.310 1.00 42.07 ? 439 THR B OG1 1 ATOM 5798 C CG2 . THR B 1 372 ? -16.472 50.432 -89.367 1.00 32.34 ? 439 THR B CG2 1 ATOM 5799 N N . SER B 1 373 ? -17.222 48.970 -86.434 1.00 33.82 ? 440 SER B N 1 ATOM 5800 C CA . SER B 1 373 ? -16.491 47.934 -85.728 1.00 34.03 ? 440 SER B CA 1 ATOM 5801 C C . SER B 1 373 ? -16.805 46.607 -86.355 1.00 36.45 ? 440 SER B C 1 ATOM 5802 O O . SER B 1 373 ? -17.502 46.537 -87.392 1.00 41.92 ? 440 SER B O 1 ATOM 5803 C CB . SER B 1 373 ? -16.865 47.932 -84.221 1.00 35.16 ? 440 SER B CB 1 ATOM 5804 O OG . SER B 1 373 ? -15.949 47.175 -83.419 1.00 36.54 ? 440 SER B OG 1 ATOM 5805 N N . ASN B 1 374 ? -16.333 45.519 -85.758 1.00 36.22 ? 441 ASN B N 1 ATOM 5806 C CA . ASN B 1 374 ? -16.648 44.195 -86.339 1.00 35.33 ? 441 ASN B CA 1 ATOM 5807 C C . ASN B 1 374 ? -16.661 43.096 -85.292 1.00 37.64 ? 441 ASN B C 1 ATOM 5808 O O . ASN B 1 374 ? -16.069 43.267 -84.266 1.00 35.89 ? 441 ASN B O 1 ATOM 5809 C CB . ASN B 1 374 ? -15.562 43.820 -87.351 1.00 35.88 ? 441 ASN B CB 1 ATOM 5810 C CG . ASN B 1 374 ? -14.254 43.453 -86.642 1.00 32.94 ? 441 ASN B CG 1 ATOM 5811 O OD1 . ASN B 1 374 ? -13.444 44.317 -86.299 1.00 32.28 ? 441 ASN B OD1 1 ATOM 5812 N ND2 . ASN B 1 374 ? -14.032 42.155 -86.477 1.00 32.96 ? 441 ASN B ND2 1 ATOM 5813 N N . SER B 1 375 ? -17.242 41.935 -85.615 1.00 35.67 ? 442 SER B N 1 ATOM 5814 C CA . SER B 1 375 ? -16.927 40.695 -84.905 1.00 35.68 ? 442 SER B CA 1 ATOM 5815 C C . SER B 1 375 ? -16.327 39.728 -85.912 1.00 36.86 ? 442 SER B C 1 ATOM 5816 O O . SER B 1 375 ? -16.071 40.101 -87.047 1.00 38.64 ? 442 SER B O 1 ATOM 5817 C CB . SER B 1 375 ? -18.192 40.120 -84.214 1.00 39.37 ? 442 SER B CB 1 ATOM 5818 O OG . SER B 1 375 ? -19.109 39.607 -85.155 1.00 44.85 ? 442 SER B OG 1 ATOM 5819 N N . ILE B 1 376 ? -16.068 38.489 -85.505 1.00 36.75 ? 443 ILE B N 1 ATOM 5820 C CA . ILE B 1 376 ? -15.581 37.455 -86.404 1.00 38.58 ? 443 ILE B CA 1 ATOM 5821 C C . ILE B 1 376 ? -16.251 36.121 -86.237 1.00 33.77 ? 443 ILE B C 1 ATOM 5822 O O . ILE B 1 376 ? -16.771 35.796 -85.165 1.00 36.28 ? 443 ILE B O 1 ATOM 5823 C CB . ILE B 1 376 ? -14.074 37.174 -86.254 1.00 47.59 ? 443 ILE B CB 1 ATOM 5824 C CG1 . ILE B 1 376 ? -13.732 36.772 -84.849 1.00 52.23 ? 443 ILE B CG1 1 ATOM 5825 C CG2 . ILE B 1 376 ? -13.251 38.401 -86.542 1.00 59.38 ? 443 ILE B CG2 1 ATOM 5826 C CD1 . ILE B 1 376 ? -12.278 36.343 -84.748 1.00 63.54 ? 443 ILE B CD1 1 ATOM 5827 N N . VAL B 1 377 ? -16.117 35.313 -87.295 1.00 29.09 ? 444 VAL B N 1 ATOM 5828 C CA . VAL B 1 377 ? -16.487 33.918 -87.270 1.00 28.79 ? 444 VAL B CA 1 ATOM 5829 C C . VAL B 1 377 ? -15.386 33.160 -87.984 1.00 31.61 ? 444 VAL B C 1 ATOM 5830 O O . VAL B 1 377 ? -14.766 33.679 -88.915 1.00 33.11 ? 444 VAL B O 1 ATOM 5831 C CB . VAL B 1 377 ? -17.855 33.722 -87.902 1.00 34.04 ? 444 VAL B CB 1 ATOM 5832 C CG1 . VAL B 1 377 ? -17.835 34.044 -89.380 1.00 35.56 ? 444 VAL B CG1 1 ATOM 5833 C CG2 . VAL B 1 377 ? -18.346 32.333 -87.686 1.00 40.60 ? 444 VAL B CG2 1 ATOM 5834 N N . VAL B 1 378 ? -15.105 31.948 -87.505 1.00 34.59 ? 445 VAL B N 1 ATOM 5835 C CA . VAL B 1 378 ? -13.967 31.191 -87.924 1.00 32.36 ? 445 VAL B CA 1 ATOM 5836 C C . VAL B 1 378 ? -14.367 29.755 -88.170 1.00 34.54 ? 445 VAL B C 1 ATOM 5837 O O . VAL B 1 378 ? -15.106 29.156 -87.374 1.00 32.49 ? 445 VAL B O 1 ATOM 5838 C CB . VAL B 1 378 ? -12.896 31.186 -86.814 1.00 36.96 ? 445 VAL B CB 1 ATOM 5839 C CG1 . VAL B 1 378 ? -11.617 30.587 -87.348 1.00 37.12 ? 445 VAL B CG1 1 ATOM 5840 C CG2 . VAL B 1 378 ? -12.602 32.591 -86.343 1.00 35.09 ? 445 VAL B CG2 1 ATOM 5841 N N . PHE B 1 379 ? -13.828 29.196 -89.262 1.00 32.89 ? 446 PHE B N 1 ATOM 5842 C CA . PHE B 1 379 ? -14.100 27.808 -89.718 1.00 33.71 ? 446 PHE B CA 1 ATOM 5843 C C . PHE B 1 379 ? -12.792 27.130 -90.070 1.00 35.04 ? 446 PHE B C 1 ATOM 5844 O O . PHE B 1 379 ? -11.830 27.804 -90.503 1.00 33.41 ? 446 PHE B O 1 ATOM 5845 C CB . PHE B 1 379 ? -14.971 27.819 -91.010 1.00 34.31 ? 446 PHE B CB 1 ATOM 5846 C CG . PHE B 1 379 ? -16.428 27.880 -90.729 1.00 35.51 ? 446 PHE B CG 1 ATOM 5847 C CD1 . PHE B 1 379 ? -16.981 28.943 -90.046 1.00 37.67 ? 446 PHE B CD1 1 ATOM 5848 C CD2 . PHE B 1 379 ? -17.234 26.808 -91.054 1.00 41.54 ? 446 PHE B CD2 1 ATOM 5849 C CE1 . PHE B 1 379 ? -18.317 28.970 -89.731 1.00 37.16 ? 446 PHE B CE1 1 ATOM 5850 C CE2 . PHE B 1 379 ? -18.558 26.824 -90.745 1.00 37.05 ? 446 PHE B CE2 1 ATOM 5851 C CZ . PHE B 1 379 ? -19.096 27.908 -90.069 1.00 38.81 ? 446 PHE B CZ 1 ATOM 5852 N N . CYS B 1 380 ? -12.768 25.808 -89.982 1.00 34.37 ? 447 CYS B N 1 ATOM 5853 C CA . CYS B 1 380 ? -11.559 25.035 -90.280 1.00 35.74 ? 447 CYS B CA 1 ATOM 5854 C C . CYS B 1 380 ? -11.868 23.854 -91.144 1.00 36.94 ? 447 CYS B C 1 ATOM 5855 O O . CYS B 1 380 ? -12.980 23.327 -91.146 1.00 37.35 ? 447 CYS B O 1 ATOM 5856 C CB . CYS B 1 380 ? -10.922 24.543 -88.974 1.00 39.50 ? 447 CYS B CB 1 ATOM 5857 S SG . CYS B 1 380 ? -9.831 25.705 -88.166 1.00 47.07 ? 447 CYS B SG 1 ATOM 5858 N N . GLY B 1 381 ? -10.899 23.494 -91.970 1.00 36.61 ? 448 GLY B N 1 ATOM 5859 C CA . GLY B 1 381 ? -11.045 22.380 -92.885 1.00 34.29 ? 448 GLY B CA 1 ATOM 5860 C C . GLY B 1 381 ? -11.328 21.122 -92.126 1.00 33.69 ? 448 GLY B C 1 ATOM 5861 O O . GLY B 1 381 ? -10.844 20.928 -91.023 1.00 33.42 ? 448 GLY B O 1 ATOM 5862 N N . THR B 1 382 ? -12.162 20.286 -92.718 1.00 35.72 ? 449 THR B N 1 ATOM 5863 C CA . THR B 1 382 ? -12.459 18.982 -92.189 1.00 38.32 ? 449 THR B CA 1 ATOM 5864 C C . THR B 1 382 ? -12.400 17.954 -93.322 1.00 40.80 ? 449 THR B C 1 ATOM 5865 O O . THR B 1 382 ? -12.778 18.226 -94.480 1.00 39.93 ? 449 THR B O 1 ATOM 5866 C CB . THR B 1 382 ? -13.875 18.945 -91.524 1.00 42.40 ? 449 THR B CB 1 ATOM 5867 O OG1 . THR B 1 382 ? -14.151 17.654 -90.972 1.00 37.63 ? 449 THR B OG1 1 ATOM 5868 C CG2 . THR B 1 382 ? -15.004 19.281 -92.528 1.00 38.18 ? 449 THR B CG2 1 ATOM 5869 N N . SER B 1 383 ? -12.010 16.741 -92.962 1.00 40.96 ? 450 SER B N 1 ATOM 5870 C CA . SER B 1 383 ? -12.192 15.616 -93.874 1.00 46.67 ? 450 SER B CA 1 ATOM 5871 C C . SER B 1 383 ? -13.378 14.729 -93.481 1.00 48.34 ? 450 SER B C 1 ATOM 5872 O O . SER B 1 383 ? -13.564 13.676 -94.074 1.00 42.90 ? 450 SER B O 1 ATOM 5873 C CB . SER B 1 383 ? -10.918 14.814 -93.995 1.00 45.14 ? 450 SER B CB 1 ATOM 5874 O OG . SER B 1 383 ? -10.705 14.114 -92.808 1.00 47.69 ? 450 SER B OG 1 ATOM 5875 N N . GLY B 1 384 ? -14.193 15.167 -92.507 1.00 47.16 ? 451 GLY B N 1 ATOM 5876 C CA . GLY B 1 384 ? -15.425 14.437 -92.160 1.00 42.55 ? 451 GLY B CA 1 ATOM 5877 C C . GLY B 1 384 ? -16.665 14.913 -92.933 1.00 43.48 ? 451 GLY B C 1 ATOM 5878 O O . GLY B 1 384 ? -16.561 15.404 -94.036 1.00 39.02 ? 451 GLY B O 1 ATOM 5879 N N . THR B 1 385 ? -17.830 14.804 -92.300 1.00 42.15 ? 452 THR B N 1 ATOM 5880 C CA . THR B 1 385 ? -19.046 15.374 -92.807 1.00 42.09 ? 452 THR B CA 1 ATOM 5881 C C . THR B 1 385 ? -19.520 16.551 -91.927 1.00 43.30 ? 452 THR B C 1 ATOM 5882 O O . THR B 1 385 ? -18.987 16.817 -90.833 1.00 35.35 ? 452 THR B O 1 ATOM 5883 C CB . THR B 1 385 ? -20.122 14.317 -92.906 1.00 43.19 ? 452 THR B CB 1 ATOM 5884 O OG1 . THR B 1 385 ? -20.353 13.761 -91.608 1.00 42.25 ? 452 THR B OG1 1 ATOM 5885 C CG2 . THR B 1 385 ? -19.651 13.199 -93.828 1.00 42.73 ? 452 THR B CG2 1 ATOM 5886 N N . TYR B 1 386 ? -20.506 17.269 -92.448 1.00 37.34 ? 453 TYR B N 1 ATOM 5887 C CA . TYR B 1 386 ? -21.004 18.482 -91.845 1.00 37.09 ? 453 TYR B CA 1 ATOM 5888 C C . TYR B 1 386 ? -22.385 18.842 -92.437 1.00 39.94 ? 453 TYR B C 1 ATOM 5889 O O . TYR B 1 386 ? -22.814 18.260 -93.436 1.00 37.39 ? 453 TYR B O 1 ATOM 5890 C CB . TYR B 1 386 ? -20.024 19.621 -92.084 1.00 36.39 ? 453 TYR B CB 1 ATOM 5891 C CG . TYR B 1 386 ? -19.615 19.809 -93.570 1.00 39.25 ? 453 TYR B CG 1 ATOM 5892 C CD1 . TYR B 1 386 ? -20.401 20.559 -94.449 1.00 38.54 ? 453 TYR B CD1 1 ATOM 5893 C CD2 . TYR B 1 386 ? -18.476 19.239 -94.068 1.00 36.32 ? 453 TYR B CD2 1 ATOM 5894 C CE1 . TYR B 1 386 ? -20.077 20.662 -95.799 1.00 39.40 ? 453 TYR B CE1 1 ATOM 5895 C CE2 . TYR B 1 386 ? -18.115 19.373 -95.405 1.00 37.08 ? 453 TYR B CE2 1 ATOM 5896 C CZ . TYR B 1 386 ? -18.913 20.068 -96.280 1.00 35.99 ? 453 TYR B CZ 1 ATOM 5897 O OH . TYR B 1 386 ? -18.561 20.234 -97.588 1.00 33.23 ? 453 TYR B OH 1 ATOM 5898 N N . GLY B 1 387 ? -23.031 19.839 -91.849 1.00 39.94 ? 454 GLY B N 1 ATOM 5899 C CA . GLY B 1 387 ? -24.397 20.255 -92.211 1.00 34.53 ? 454 GLY B CA 1 ATOM 5900 C C . GLY B 1 387 ? -24.370 21.660 -92.786 1.00 35.25 ? 454 GLY B C 1 ATOM 5901 O O . GLY B 1 387 ? -23.476 22.001 -93.559 1.00 35.78 ? 454 GLY B O 1 ATOM 5902 N N . THR B 1 388 ? -25.407 22.453 -92.466 1.00 32.40 ? 455 THR B N 1 ATOM 5903 C CA . THR B 1 388 ? -25.596 23.811 -92.974 1.00 33.08 ? 455 THR B CA 1 ATOM 5904 C C . THR B 1 388 ? -25.984 24.767 -91.887 1.00 34.56 ? 455 THR B C 1 ATOM 5905 O O . THR B 1 388 ? -26.519 24.392 -90.831 1.00 36.03 ? 455 THR B O 1 ATOM 5906 C CB . THR B 1 388 ? -26.745 23.904 -94.068 1.00 34.11 ? 455 THR B CB 1 ATOM 5907 O OG1 . THR B 1 388 ? -27.914 23.207 -93.626 1.00 30.25 ? 455 THR B OG1 1 ATOM 5908 C CG2 . THR B 1 388 ? -26.289 23.309 -95.396 1.00 33.82 ? 455 THR B CG2 1 ATOM 5909 N N . GLY B 1 389 ? -25.761 26.029 -92.183 1.00 37.36 ? 456 GLY B N 1 ATOM 5910 C CA . GLY B 1 389 ? -26.152 27.073 -91.249 1.00 38.79 ? 456 GLY B CA 1 ATOM 5911 C C . GLY B 1 389 ? -25.812 28.443 -91.748 1.00 35.38 ? 456 GLY B C 1 ATOM 5912 O O . GLY B 1 389 ? -25.404 28.634 -92.908 1.00 38.89 ? 456 GLY B O 1 ATOM 5913 N N . SER B 1 390 ? -26.033 29.419 -90.889 1.00 36.99 ? 457 SER B N 1 ATOM 5914 C CA . SER B 1 390 ? -25.571 30.799 -91.136 1.00 37.81 ? 457 SER B CA 1 ATOM 5915 C C . SER B 1 390 ? -25.157 31.405 -89.809 1.00 34.06 ? 457 SER B C 1 ATOM 5916 O O . SER B 1 390 ? -25.890 31.317 -88.834 1.00 40.36 ? 457 SER B O 1 ATOM 5917 C CB . SER B 1 390 ? -26.641 31.606 -91.803 1.00 32.75 ? 457 SER B CB 1 ATOM 5918 O OG . SER B 1 390 ? -26.226 32.957 -91.928 1.00 35.47 ? 457 SER B OG 1 ATOM 5919 N N . TRP B 1 391 ? -24.002 32.026 -89.779 1.00 33.79 ? 458 TRP B N 1 ATOM 5920 C CA . TRP B 1 391 ? -23.422 32.519 -88.527 1.00 34.12 ? 458 TRP B CA 1 ATOM 5921 C C . TRP B 1 391 ? -23.005 33.992 -88.625 1.00 36.68 ? 458 TRP B C 1 ATOM 5922 O O . TRP B 1 391 ? -21.826 34.306 -88.651 1.00 37.86 ? 458 TRP B O 1 ATOM 5923 C CB . TRP B 1 391 ? -22.225 31.664 -88.116 1.00 34.05 ? 458 TRP B CB 1 ATOM 5924 C CG . TRP B 1 391 ? -22.529 30.221 -87.806 1.00 35.35 ? 458 TRP B CG 1 ATOM 5925 C CD1 . TRP B 1 391 ? -22.853 29.693 -86.577 1.00 38.58 ? 458 TRP B CD1 1 ATOM 5926 C CD2 . TRP B 1 391 ? -22.607 29.148 -88.735 1.00 36.92 ? 458 TRP B CD2 1 ATOM 5927 N NE1 . TRP B 1 391 ? -23.117 28.351 -86.686 1.00 40.45 ? 458 TRP B NE1 1 ATOM 5928 C CE2 . TRP B 1 391 ? -22.964 27.991 -88.007 1.00 43.77 ? 458 TRP B CE2 1 ATOM 5929 C CE3 . TRP B 1 391 ? -22.451 29.055 -90.115 1.00 36.52 ? 458 TRP B CE3 1 ATOM 5930 C CZ2 . TRP B 1 391 ? -23.118 26.760 -88.618 1.00 39.75 ? 458 TRP B CZ2 1 ATOM 5931 C CZ3 . TRP B 1 391 ? -22.569 27.843 -90.699 1.00 38.80 ? 458 TRP B CZ3 1 ATOM 5932 C CH2 . TRP B 1 391 ? -22.893 26.701 -89.946 1.00 40.27 ? 458 TRP B CH2 1 ATOM 5933 N N . PRO B 1 392 ? -23.989 34.896 -88.719 1.00 37.62 ? 459 PRO B N 1 ATOM 5934 C CA . PRO B 1 392 ? -23.668 36.279 -88.863 1.00 39.72 ? 459 PRO B CA 1 ATOM 5935 C C . PRO B 1 392 ? -23.353 36.909 -87.481 1.00 41.35 ? 459 PRO B C 1 ATOM 5936 O O . PRO B 1 392 ? -23.362 36.246 -86.467 1.00 39.60 ? 459 PRO B O 1 ATOM 5937 C CB . PRO B 1 392 ? -24.983 36.876 -89.413 1.00 39.47 ? 459 PRO B CB 1 ATOM 5938 C CG . PRO B 1 392 ? -26.058 36.074 -88.727 1.00 35.34 ? 459 PRO B CG 1 ATOM 5939 C CD . PRO B 1 392 ? -25.453 34.678 -88.604 1.00 37.70 ? 459 PRO B CD 1 ATOM 5940 N N . ASP B 1 393 ? -23.101 38.201 -87.492 1.00 41.14 ? 460 ASP B N 1 ATOM 5941 C CA . ASP B 1 393 ? -22.712 38.940 -86.303 1.00 42.26 ? 460 ASP B CA 1 ATOM 5942 C C . ASP B 1 393 ? -23.772 38.858 -85.165 1.00 42.14 ? 460 ASP B C 1 ATOM 5943 O O . ASP B 1 393 ? -23.431 38.646 -84.004 1.00 41.69 ? 460 ASP B O 1 ATOM 5944 C CB . ASP B 1 393 ? -22.468 40.406 -86.694 1.00 45.78 ? 460 ASP B CB 1 ATOM 5945 C CG . ASP B 1 393 ? -22.323 41.308 -85.479 1.00 51.75 ? 460 ASP B CG 1 ATOM 5946 O OD1 . ASP B 1 393 ? -21.253 41.289 -84.839 1.00 56.02 ? 460 ASP B OD1 1 ATOM 5947 O OD2 . ASP B 1 393 ? -23.303 42.020 -85.160 1.00 57.79 ? 460 ASP B OD2 1 ATOM 5948 N N . GLY B 1 394 ? -25.028 39.085 -85.535 1.00 35.31 ? 461 GLY B N 1 ATOM 5949 C CA . GLY B 1 394 ? -26.152 38.909 -84.683 1.00 34.21 ? 461 GLY B CA 1 ATOM 5950 C C . GLY B 1 394 ? -26.606 40.075 -83.874 1.00 36.34 ? 461 GLY B C 1 ATOM 5951 O O . GLY B 1 394 ? -27.520 39.939 -83.084 1.00 40.92 ? 461 GLY B O 1 ATOM 5952 N N . ALA B 1 395 ? -25.917 41.209 -83.963 1.00 39.00 ? 462 ALA B N 1 ATOM 5953 C CA . ALA B 1 395 ? -26.317 42.371 -83.169 1.00 40.59 ? 462 ALA B CA 1 ATOM 5954 C C . ALA B 1 395 ? -27.470 43.070 -83.851 1.00 41.94 ? 462 ALA B C 1 ATOM 5955 O O . ALA B 1 395 ? -27.555 43.124 -85.070 1.00 38.26 ? 462 ALA B O 1 ATOM 5956 C CB . ALA B 1 395 ? -25.178 43.355 -82.958 1.00 40.86 ? 462 ALA B CB 1 ATOM 5957 N N . ASN B 1 396 ? -28.363 43.592 -83.031 1.00 38.95 ? 463 ASN B N 1 ATOM 5958 C CA . ASN B 1 396 ? -29.396 44.436 -83.469 1.00 38.00 ? 463 ASN B CA 1 ATOM 5959 C C . ASN B 1 396 ? -28.937 45.879 -83.356 1.00 38.70 ? 463 ASN B C 1 ATOM 5960 O O . ASN B 1 396 ? -28.716 46.399 -82.243 1.00 41.07 ? 463 ASN B O 1 ATOM 5961 C CB . ASN B 1 396 ? -30.610 44.173 -82.615 1.00 42.28 ? 463 ASN B CB 1 ATOM 5962 C CG . ASN B 1 396 ? -31.798 44.986 -83.049 1.00 45.06 ? 463 ASN B CG 1 ATOM 5963 O OD1 . ASN B 1 396 ? -31.699 46.081 -83.612 1.00 46.96 ? 463 ASN B OD1 1 ATOM 5964 N ND2 . ASN B 1 396 ? -32.923 44.488 -82.730 1.00 52.00 ? 463 ASN B ND2 1 ATOM 5965 N N . ILE B 1 397 ? -28.857 46.549 -84.497 1.00 39.43 ? 464 ILE B N 1 ATOM 5966 C CA . ILE B 1 397 ? -28.308 47.899 -84.554 1.00 42.57 ? 464 ILE B CA 1 ATOM 5967 C C . ILE B 1 397 ? -29.092 48.852 -83.651 1.00 42.10 ? 464 ILE B C 1 ATOM 5968 O O . ILE B 1 397 ? -28.526 49.793 -83.142 1.00 41.80 ? 464 ILE B O 1 ATOM 5969 C CB . ILE B 1 397 ? -28.195 48.430 -86.016 1.00 44.89 ? 464 ILE B CB 1 ATOM 5970 C CG1 . ILE B 1 397 ? -27.239 49.600 -86.111 1.00 48.79 ? 464 ILE B CG1 1 ATOM 5971 C CG2 . ILE B 1 397 ? -29.560 48.805 -86.621 1.00 44.46 ? 464 ILE B CG2 1 ATOM 5972 C CD1 . ILE B 1 397 ? -25.783 49.227 -85.838 1.00 51.61 ? 464 ILE B CD1 1 ATOM 5973 N N . ASN B 1 398 ? -30.385 48.602 -83.457 1.00 42.36 ? 465 ASN B N 1 ATOM 5974 C CA . ASN B 1 398 ? -31.226 49.467 -82.602 1.00 42.93 ? 465 ASN B CA 1 ATOM 5975 C C . ASN B 1 398 ? -30.970 49.361 -81.121 1.00 43.69 ? 465 ASN B C 1 ATOM 5976 O O . ASN B 1 398 ? -31.499 50.149 -80.377 1.00 44.22 ? 465 ASN B O 1 ATOM 5977 C CB . ASN B 1 398 ? -32.698 49.188 -82.846 1.00 43.76 ? 465 ASN B CB 1 ATOM 5978 C CG . ASN B 1 398 ? -33.090 49.437 -84.296 1.00 52.01 ? 465 ASN B CG 1 ATOM 5979 O OD1 . ASN B 1 398 ? -33.712 48.604 -84.922 1.00 50.76 ? 465 ASN B OD1 1 ATOM 5980 N ND2 . ASN B 1 398 ? -32.726 50.587 -84.829 1.00 48.27 ? 465 ASN B ND2 1 ATOM 5981 N N . PHE B 1 399 ? -30.216 48.362 -80.693 1.00 43.15 ? 466 PHE B N 1 ATOM 5982 C CA . PHE B 1 399 ? -29.964 48.110 -79.269 1.00 46.72 ? 466 PHE B CA 1 ATOM 5983 C C . PHE B 1 399 ? -28.621 48.725 -78.874 1.00 49.83 ? 466 PHE B C 1 ATOM 5984 O O . PHE B 1 399 ? -28.228 48.656 -77.734 1.00 62.01 ? 466 PHE B O 1 ATOM 5985 C CB . PHE B 1 399 ? -29.851 46.581 -78.984 1.00 47.77 ? 466 PHE B CB 1 ATOM 5986 C CG . PHE B 1 399 ? -31.125 45.816 -79.019 1.00 45.28 ? 466 PHE B CG 1 ATOM 5987 C CD1 . PHE B 1 399 ? -32.387 46.463 -79.092 1.00 49.34 ? 466 PHE B CD1 1 ATOM 5988 C CD2 . PHE B 1 399 ? -31.091 44.426 -78.932 1.00 45.70 ? 466 PHE B CD2 1 ATOM 5989 C CE1 . PHE B 1 399 ? -33.559 45.721 -79.104 1.00 46.87 ? 466 PHE B CE1 1 ATOM 5990 C CE2 . PHE B 1 399 ? -32.266 43.676 -78.939 1.00 45.07 ? 466 PHE B CE2 1 ATOM 5991 C CZ . PHE B 1 399 ? -33.499 44.329 -79.051 1.00 49.08 ? 466 PHE B CZ 1 ATOM 5992 N N . MET B 1 400 ? -27.898 49.294 -79.828 1.00 49.50 ? 467 MET B N 1 ATOM 5993 C CA . MET B 1 400 ? -26.540 49.739 -79.595 1.00 44.77 ? 467 MET B CA 1 ATOM 5994 C C . MET B 1 400 ? -26.434 51.192 -79.116 1.00 48.65 ? 467 MET B C 1 ATOM 5995 O O . MET B 1 400 ? -27.193 52.026 -79.548 1.00 49.71 ? 467 MET B O 1 ATOM 5996 C CB . MET B 1 400 ? -25.756 49.626 -80.908 1.00 43.13 ? 467 MET B CB 1 ATOM 5997 C CG . MET B 1 400 ? -25.766 48.252 -81.565 1.00 46.08 ? 467 MET B CG 1 ATOM 5998 S SD . MET B 1 400 ? -25.084 46.880 -80.580 1.00 42.79 ? 467 MET B SD 1 ATOM 5999 C CE . MET B 1 400 ? -23.452 47.484 -80.198 1.00 44.64 ? 467 MET B CE 1 ATOM 6000 N N . PRO B 1 401 ? -25.422 51.512 -78.295 1.00 54.82 ? 468 PRO B N 1 ATOM 6001 C CA . PRO B 1 401 ? -24.958 52.900 -78.102 1.00 52.63 ? 468 PRO B CA 1 ATOM 6002 C C . PRO B 1 401 ? -24.646 53.522 -79.446 1.00 54.74 ? 468 PRO B C 1 ATOM 6003 O O . PRO B 1 401 ? -24.190 52.806 -80.332 1.00 55.80 ? 468 PRO B O 1 ATOM 6004 C CB . PRO B 1 401 ? -23.645 52.717 -77.340 1.00 58.10 ? 468 PRO B CB 1 ATOM 6005 C CG . PRO B 1 401 ? -23.740 51.375 -76.693 1.00 54.43 ? 468 PRO B CG 1 ATOM 6006 C CD . PRO B 1 401 ? -24.585 50.530 -77.579 1.00 51.07 ? 468 PRO B CD 1 ATOM 6007 N N . ILE B 1 402 ? -24.780 54.831 -79.611 1.00 57.45 ? 469 ILE B N 1 ATOM 6008 C CA . ILE B 1 402 ? -24.937 55.357 -80.998 1.00 64.96 ? 469 ILE B CA 1 ATOM 6009 C C . ILE B 1 402 ? -23.647 55.516 -81.847 1.00 63.88 ? 469 ILE B C 1 ATOM 6010 O O . ILE B 1 402 ? -22.703 56.162 -81.466 1.00 54.23 ? 469 ILE B O 1 ATOM 6011 C CB . ILE B 1 402 ? -25.925 56.551 -81.209 1.00 68.28 ? 469 ILE B CB 1 ATOM 6012 C CG1 . ILE B 1 402 ? -25.717 57.651 -80.181 1.00 75.20 ? 469 ILE B CG1 1 ATOM 6013 C CG2 . ILE B 1 402 ? -27.358 56.025 -81.260 1.00 65.49 ? 469 ILE B CG2 1 ATOM 6014 C CD1 . ILE B 1 402 ? -26.585 58.870 -80.420 1.00 84.40 ? 469 ILE B CD1 1 ATOM 6015 N N . ALA C 1 15 ? 17.314 29.188 -62.811 1.00 103.82 ? 82 ALA C N 1 ATOM 6016 C CA . ALA C 1 15 ? 17.581 30.597 -63.205 1.00 103.23 ? 82 ALA C CA 1 ATOM 6017 C C . ALA C 1 15 ? 18.817 31.135 -62.474 1.00 98.66 ? 82 ALA C C 1 ATOM 6018 O O . ALA C 1 15 ? 19.045 30.865 -61.295 1.00 95.78 ? 82 ALA C O 1 ATOM 6019 C CB . ALA C 1 15 ? 16.354 31.484 -62.973 1.00 94.57 ? 82 ALA C CB 1 ATOM 6020 N N . GLU C 1 16 ? 19.592 31.914 -63.214 1.00 94.42 ? 83 GLU C N 1 ATOM 6021 C CA . GLU C 1 16 ? 20.805 32.545 -62.744 1.00 83.14 ? 83 GLU C CA 1 ATOM 6022 C C . GLU C 1 16 ? 20.500 34.065 -62.633 1.00 67.54 ? 83 GLU C C 1 ATOM 6023 O O . GLU C 1 16 ? 19.521 34.569 -63.177 1.00 59.53 ? 83 GLU C O 1 ATOM 6024 C CB . GLU C 1 16 ? 21.912 32.252 -63.791 1.00 88.55 ? 83 GLU C CB 1 ATOM 6025 C CG . GLU C 1 16 ? 23.411 32.667 -63.524 1.00 103.69 ? 83 GLU C CG 1 ATOM 6026 C CD . GLU C 1 16 ? 24.051 32.463 -62.111 1.00 106.87 ? 83 GLU C CD 1 ATOM 6027 O OE1 . GLU C 1 16 ? 25.099 31.791 -62.118 1.00 99.26 ? 83 GLU C OE1 1 ATOM 6028 O OE2 . GLU C 1 16 ? 23.636 32.994 -61.022 1.00 87.48 ? 83 GLU C OE2 1 ATOM 6029 N N . TYR C 1 17 ? 21.361 34.794 -61.950 1.00 55.46 ? 84 TYR C N 1 ATOM 6030 C CA . TYR C 1 17 ? 21.316 36.230 -61.984 1.00 49.64 ? 84 TYR C CA 1 ATOM 6031 C C . TYR C 1 17 ? 21.684 36.781 -63.345 1.00 47.42 ? 84 TYR C C 1 ATOM 6032 O O . TYR C 1 17 ? 22.505 36.235 -64.039 1.00 48.32 ? 84 TYR C O 1 ATOM 6033 C CB . TYR C 1 17 ? 22.266 36.811 -60.939 1.00 46.37 ? 84 TYR C CB 1 ATOM 6034 C CG . TYR C 1 17 ? 21.862 36.487 -59.520 1.00 49.89 ? 84 TYR C CG 1 ATOM 6035 C CD1 . TYR C 1 17 ? 20.614 36.889 -59.029 1.00 45.03 ? 84 TYR C CD1 1 ATOM 6036 C CD2 . TYR C 1 17 ? 22.764 35.892 -58.629 1.00 53.69 ? 84 TYR C CD2 1 ATOM 6037 C CE1 . TYR C 1 17 ? 20.259 36.661 -57.723 1.00 51.08 ? 84 TYR C CE1 1 ATOM 6038 C CE2 . TYR C 1 17 ? 22.426 35.680 -57.292 1.00 52.53 ? 84 TYR C CE2 1 ATOM 6039 C CZ . TYR C 1 17 ? 21.162 36.044 -56.843 1.00 56.82 ? 84 TYR C CZ 1 ATOM 6040 O OH . TYR C 1 17 ? 20.771 35.819 -55.535 1.00 56.87 ? 84 TYR C OH 1 ATOM 6041 N N . ARG C 1 18 ? 21.057 37.886 -63.703 1.00 51.14 ? 85 ARG C N 1 ATOM 6042 C CA . ARG C 1 18 ? 21.462 38.680 -64.851 1.00 47.73 ? 85 ARG C CA 1 ATOM 6043 C C . ARG C 1 18 ? 22.692 39.490 -64.579 1.00 45.74 ? 85 ARG C C 1 ATOM 6044 O O . ARG C 1 18 ? 22.789 40.123 -63.516 1.00 39.72 ? 85 ARG C O 1 ATOM 6045 C CB . ARG C 1 18 ? 20.491 39.785 -65.108 1.00 52.54 ? 85 ARG C CB 1 ATOM 6046 C CG . ARG C 1 18 ? 19.242 39.470 -65.816 1.00 51.26 ? 85 ARG C CG 1 ATOM 6047 C CD . ARG C 1 18 ? 18.375 40.733 -65.618 1.00 52.54 ? 85 ARG C CD 1 ATOM 6048 N NE . ARG C 1 18 ? 17.470 40.896 -66.722 1.00 49.20 ? 85 ARG C NE 1 ATOM 6049 C CZ . ARG C 1 18 ? 16.348 41.582 -66.701 1.00 48.11 ? 85 ARG C CZ 1 ATOM 6050 N NH1 . ARG C 1 18 ? 15.946 42.248 -65.621 1.00 47.43 ? 85 ARG C NH1 1 ATOM 6051 N NH2 . ARG C 1 18 ? 15.640 41.613 -67.808 1.00 49.14 ? 85 ARG C NH2 1 ATOM 6052 N N . ASN C 1 19 ? 23.520 39.624 -65.633 1.00 43.72 ? 86 ASN C N 1 ATOM 6053 C CA . ASN C 1 19 ? 24.712 40.464 -65.612 1.00 42.29 ? 86 ASN C CA 1 ATOM 6054 C C . ASN C 1 19 ? 24.721 41.627 -66.593 1.00 43.03 ? 86 ASN C C 1 ATOM 6055 O O . ASN C 1 19 ? 25.539 42.536 -66.468 1.00 45.58 ? 86 ASN C O 1 ATOM 6056 C CB . ASN C 1 19 ? 25.920 39.570 -65.821 1.00 49.11 ? 86 ASN C CB 1 ATOM 6057 C CG . ASN C 1 19 ? 26.022 38.463 -64.749 1.00 53.43 ? 86 ASN C CG 1 ATOM 6058 O OD1 . ASN C 1 19 ? 25.823 37.294 -65.029 1.00 82.48 ? 86 ASN C OD1 1 ATOM 6059 N ND2 . ASN C 1 19 ? 26.228 38.846 -63.530 1.00 61.25 ? 86 ASN C ND2 1 ATOM 6060 N N . TRP C 1 20 ? 23.842 41.603 -67.585 1.00 37.62 ? 87 TRP C N 1 ATOM 6061 C CA . TRP C 1 20 ? 23.845 42.609 -68.648 1.00 39.30 ? 87 TRP C CA 1 ATOM 6062 C C . TRP C 1 20 ? 25.257 42.776 -69.272 1.00 39.18 ? 87 TRP C C 1 ATOM 6063 O O . TRP C 1 20 ? 25.669 43.910 -69.650 1.00 44.30 ? 87 TRP C O 1 ATOM 6064 C CB . TRP C 1 20 ? 23.438 43.960 -68.106 1.00 37.96 ? 87 TRP C CB 1 ATOM 6065 C CG . TRP C 1 20 ? 22.169 43.965 -67.421 1.00 39.19 ? 87 TRP C CG 1 ATOM 6066 C CD1 . TRP C 1 20 ? 21.978 43.876 -66.063 1.00 42.05 ? 87 TRP C CD1 1 ATOM 6067 C CD2 . TRP C 1 20 ? 20.881 44.120 -68.011 1.00 36.46 ? 87 TRP C CD2 1 ATOM 6068 N NE1 . TRP C 1 20 ? 20.646 43.982 -65.788 1.00 38.94 ? 87 TRP C NE1 1 ATOM 6069 C CE2 . TRP C 1 20 ? 19.953 44.146 -66.960 1.00 34.49 ? 87 TRP C CE2 1 ATOM 6070 C CE3 . TRP C 1 20 ? 20.413 44.291 -69.337 1.00 39.21 ? 87 TRP C CE3 1 ATOM 6071 C CZ2 . TRP C 1 20 ? 18.579 44.281 -67.177 1.00 32.03 ? 87 TRP C CZ2 1 ATOM 6072 C CZ3 . TRP C 1 20 ? 19.003 44.460 -69.556 1.00 39.33 ? 87 TRP C CZ3 1 ATOM 6073 C CH2 . TRP C 1 20 ? 18.126 44.466 -68.471 1.00 35.81 ? 87 TRP C CH2 1 ATOM 6074 N N . SER C 1 21 ? 25.960 41.678 -69.435 1.00 34.14 ? 88 SER C N 1 ATOM 6075 C CA . SER C 1 21 ? 27.324 41.744 -69.903 1.00 46.77 ? 88 SER C CA 1 ATOM 6076 C C . SER C 1 21 ? 27.369 41.601 -71.417 1.00 45.74 ? 88 SER C C 1 ATOM 6077 O O . SER C 1 21 ? 27.903 40.663 -71.894 1.00 50.40 ? 88 SER C O 1 ATOM 6078 C CB . SER C 1 21 ? 28.199 40.677 -69.200 1.00 47.28 ? 88 SER C CB 1 ATOM 6079 O OG . SER C 1 21 ? 27.598 39.417 -69.381 1.00 45.46 ? 88 SER C OG 1 ATOM 6080 N N . LYS C 1 22 ? 26.761 42.554 -72.135 1.00 48.58 ? 89 LYS C N 1 ATOM 6081 C CA . LYS C 1 22 ? 26.799 42.645 -73.561 1.00 47.25 ? 89 LYS C CA 1 ATOM 6082 C C . LYS C 1 22 ? 26.961 44.100 -73.937 1.00 48.00 ? 89 LYS C C 1 ATOM 6083 O O . LYS C 1 22 ? 26.548 44.948 -73.211 1.00 47.22 ? 89 LYS C O 1 ATOM 6084 C CB . LYS C 1 22 ? 25.534 42.116 -74.182 1.00 48.58 ? 89 LYS C CB 1 ATOM 6085 C CG . LYS C 1 22 ? 25.342 40.667 -73.859 1.00 50.46 ? 89 LYS C CG 1 ATOM 6086 C CD . LYS C 1 22 ? 24.061 40.109 -74.431 1.00 55.45 ? 89 LYS C CD 1 ATOM 6087 C CE . LYS C 1 22 ? 24.004 38.646 -74.069 1.00 57.77 ? 89 LYS C CE 1 ATOM 6088 N NZ . LYS C 1 22 ? 22.654 38.130 -74.310 1.00 57.26 ? 89 LYS C NZ 1 ATOM 6089 N N . PRO C 1 23 ? 27.623 44.380 -75.062 1.00 43.62 ? 90 PRO C N 1 ATOM 6090 C CA . PRO C 1 23 ? 27.648 45.754 -75.503 1.00 42.68 ? 90 PRO C CA 1 ATOM 6091 C C . PRO C 1 23 ? 26.242 46.312 -75.819 1.00 43.27 ? 90 PRO C C 1 ATOM 6092 O O . PRO C 1 23 ? 25.298 45.559 -76.095 1.00 40.58 ? 90 PRO C O 1 ATOM 6093 C CB . PRO C 1 23 ? 28.497 45.701 -76.812 1.00 38.76 ? 90 PRO C CB 1 ATOM 6094 C CG . PRO C 1 23 ? 28.316 44.296 -77.320 1.00 43.47 ? 90 PRO C CG 1 ATOM 6095 C CD . PRO C 1 23 ? 27.960 43.419 -76.139 1.00 44.50 ? 90 PRO C CD 1 ATOM 6096 N N . GLN C 1 24 ? 26.193 47.632 -75.889 1.00 40.70 ? 91 GLN C N 1 ATOM 6097 C CA . GLN C 1 24 ? 25.038 48.385 -76.329 1.00 41.02 ? 91 GLN C CA 1 ATOM 6098 C C . GLN C 1 24 ? 24.796 48.304 -77.832 1.00 40.68 ? 91 GLN C C 1 ATOM 6099 O O . GLN C 1 24 ? 25.714 48.406 -78.639 1.00 43.03 ? 91 GLN C O 1 ATOM 6100 C CB . GLN C 1 24 ? 25.286 49.813 -75.952 1.00 40.60 ? 91 GLN C CB 1 ATOM 6101 C CG . GLN C 1 24 ? 24.191 50.771 -76.288 1.00 44.87 ? 91 GLN C CG 1 ATOM 6102 C CD . GLN C 1 24 ? 24.445 52.087 -75.574 1.00 50.16 ? 91 GLN C CD 1 ATOM 6103 O OE1 . GLN C 1 24 ? 24.166 52.222 -74.362 1.00 50.53 ? 91 GLN C OE1 1 ATOM 6104 N NE2 . GLN C 1 24 ? 24.952 53.078 -76.311 1.00 48.84 ? 91 GLN C NE2 1 ATOM 6105 N N . CYS C 1 25 ? 23.556 48.074 -78.216 1.00 45.21 ? 92 CYS C N 1 ATOM 6106 C CA . CYS C 1 25 ? 23.208 47.990 -79.656 1.00 48.65 ? 92 CYS C CA 1 ATOM 6107 C C . CYS C 1 25 ? 23.509 49.324 -80.334 1.00 45.85 ? 92 CYS C C 1 ATOM 6108 O O . CYS C 1 25 ? 23.242 50.364 -79.756 1.00 47.19 ? 92 CYS C O 1 ATOM 6109 C CB . CYS C 1 25 ? 21.708 47.614 -79.853 1.00 48.82 ? 92 CYS C CB 1 ATOM 6110 S SG . CYS C 1 25 ? 21.176 46.038 -79.095 1.00 53.72 ? 92 CYS C SG 1 ATOM 6111 N N . GLN C 1 26 ? 24.047 49.282 -81.542 1.00 43.65 ? 93 GLN C N 1 ATOM 6112 C CA . GLN C 1 26 ? 24.233 50.479 -82.352 1.00 41.78 ? 93 GLN C CA 1 ATOM 6113 C C . GLN C 1 26 ? 22.924 50.813 -83.062 1.00 43.05 ? 93 GLN C C 1 ATOM 6114 O O . GLN C 1 26 ? 22.416 50.021 -83.823 1.00 51.84 ? 93 GLN C O 1 ATOM 6115 C CB . GLN C 1 26 ? 25.337 50.256 -83.380 1.00 43.51 ? 93 GLN C CB 1 ATOM 6116 C CG . GLN C 1 26 ? 26.730 50.053 -82.777 1.00 44.36 ? 93 GLN C CG 1 ATOM 6117 C CD . GLN C 1 26 ? 27.075 51.159 -81.769 1.00 44.67 ? 93 GLN C CD 1 ATOM 6118 O OE1 . GLN C 1 26 ? 27.330 52.296 -82.127 1.00 49.02 ? 93 GLN C OE1 1 ATOM 6119 N NE2 . GLN C 1 26 ? 27.012 50.824 -80.505 1.00 44.70 ? 93 GLN C NE2 1 ATOM 6120 N N . ILE C 1 27 ? 22.397 52.005 -82.834 1.00 40.81 ? 94 ILE C N 1 ATOM 6121 C CA . ILE C 1 27 ? 21.084 52.419 -83.344 1.00 40.32 ? 94 ILE C CA 1 ATOM 6122 C C . ILE C 1 27 ? 21.142 53.636 -84.220 1.00 41.18 ? 94 ILE C C 1 ATOM 6123 O O . ILE C 1 27 ? 22.068 54.413 -84.137 1.00 39.10 ? 94 ILE C O 1 ATOM 6124 C CB . ILE C 1 27 ? 20.078 52.708 -82.157 1.00 39.42 ? 94 ILE C CB 1 ATOM 6125 C CG1 . ILE C 1 27 ? 20.509 53.919 -81.343 1.00 40.09 ? 94 ILE C CG1 1 ATOM 6126 C CG2 . ILE C 1 27 ? 19.968 51.522 -81.194 1.00 38.19 ? 94 ILE C CG2 1 ATOM 6127 C CD1 . ILE C 1 27 ? 19.434 54.351 -80.380 1.00 41.44 ? 94 ILE C CD1 1 ATOM 6128 N N . THR C 1 28 ? 20.102 53.831 -85.015 1.00 43.40 ? 95 THR C N 1 ATOM 6129 C CA . THR C 1 28 ? 19.988 54.985 -85.928 1.00 43.83 ? 95 THR C CA 1 ATOM 6130 C C . THR C 1 28 ? 18.888 55.923 -85.475 1.00 44.84 ? 95 THR C C 1 ATOM 6131 O O . THR C 1 28 ? 18.613 56.953 -86.124 1.00 41.37 ? 95 THR C O 1 ATOM 6132 C CB . THR C 1 28 ? 19.606 54.504 -87.341 1.00 50.36 ? 95 THR C CB 1 ATOM 6133 O OG1 . THR C 1 28 ? 18.410 53.653 -87.284 1.00 56.30 ? 95 THR C OG1 1 ATOM 6134 C CG2 . THR C 1 28 ? 20.734 53.692 -87.896 1.00 53.45 ? 95 THR C CG2 1 ATOM 6135 N N . GLY C 1 29 ? 18.191 55.504 -84.409 1.00 43.52 ? 96 GLY C N 1 ATOM 6136 C CA . GLY C 1 29 ? 16.963 56.168 -83.966 1.00 39.31 ? 96 GLY C CA 1 ATOM 6137 C C . GLY C 1 29 ? 16.054 55.196 -83.239 1.00 39.67 ? 96 GLY C C 1 ATOM 6138 O O . GLY C 1 29 ? 16.518 54.137 -82.756 1.00 40.89 ? 96 GLY C O 1 ATOM 6139 N N . PHE C 1 30 ? 14.776 55.563 -83.153 1.00 36.09 ? 97 PHE C N 1 ATOM 6140 C CA . PHE C 1 30 ? 13.825 54.815 -82.376 1.00 35.21 ? 97 PHE C CA 1 ATOM 6141 C C . PHE C 1 30 ? 12.583 54.530 -83.182 1.00 40.62 ? 97 PHE C C 1 ATOM 6142 O O . PHE C 1 30 ? 12.160 55.324 -83.993 1.00 37.40 ? 97 PHE C O 1 ATOM 6143 C CB . PHE C 1 30 ? 13.449 55.567 -81.104 1.00 37.69 ? 97 PHE C CB 1 ATOM 6144 C CG . PHE C 1 30 ? 14.636 55.846 -80.194 1.00 36.79 ? 97 PHE C CG 1 ATOM 6145 C CD1 . PHE C 1 30 ? 15.050 54.934 -79.270 1.00 34.98 ? 97 PHE C CD1 1 ATOM 6146 C CD2 . PHE C 1 30 ? 15.366 56.983 -80.366 1.00 34.86 ? 97 PHE C CD2 1 ATOM 6147 C CE1 . PHE C 1 30 ? 16.158 55.135 -78.477 1.00 32.66 ? 97 PHE C CE1 1 ATOM 6148 C CE2 . PHE C 1 30 ? 16.485 57.207 -79.590 1.00 36.84 ? 97 PHE C CE2 1 ATOM 6149 C CZ . PHE C 1 30 ? 16.890 56.273 -78.639 1.00 35.23 ? 97 PHE C CZ 1 ATOM 6150 N N . ALA C 1 31 ? 12.004 53.371 -82.919 1.00 37.92 ? 98 ALA C N 1 ATOM 6151 C CA . ALA C 1 31 ? 10.842 52.944 -83.559 1.00 34.34 ? 98 ALA C CA 1 ATOM 6152 C C . ALA C 1 31 ? 9.705 52.722 -82.531 1.00 37.98 ? 98 ALA C C 1 ATOM 6153 O O . ALA C 1 31 ? 9.945 52.315 -81.403 1.00 37.68 ? 98 ALA C O 1 ATOM 6154 C CB . ALA C 1 31 ? 11.135 51.652 -84.314 1.00 37.65 ? 98 ALA C CB 1 ATOM 6155 N N . PRO C 1 32 ? 8.442 52.899 -82.975 1.00 36.42 ? 99 PRO C N 1 ATOM 6156 C CA . PRO C 1 32 ? 7.284 52.676 -82.127 1.00 36.59 ? 99 PRO C CA 1 ATOM 6157 C C . PRO C 1 32 ? 7.170 51.265 -81.577 1.00 39.45 ? 99 PRO C C 1 ATOM 6158 O O . PRO C 1 32 ? 7.415 50.276 -82.297 1.00 42.96 ? 99 PRO C O 1 ATOM 6159 C CB . PRO C 1 32 ? 6.095 52.957 -83.083 1.00 35.81 ? 99 PRO C CB 1 ATOM 6160 C CG . PRO C 1 32 ? 6.687 53.826 -84.158 1.00 34.96 ? 99 PRO C CG 1 ATOM 6161 C CD . PRO C 1 32 ? 8.032 53.205 -84.358 1.00 34.09 ? 99 PRO C CD 1 ATOM 6162 N N . PHE C 1 33 ? 6.863 51.185 -80.292 1.00 37.82 ? 100 PHE C N 1 ATOM 6163 C CA . PHE C 1 33 ? 6.800 49.911 -79.589 1.00 38.18 ? 100 PHE C CA 1 ATOM 6164 C C . PHE C 1 33 ? 5.468 49.680 -78.899 1.00 36.95 ? 100 PHE C C 1 ATOM 6165 O O . PHE C 1 33 ? 4.913 48.635 -79.038 1.00 50.34 ? 100 PHE C O 1 ATOM 6166 C CB . PHE C 1 33 ? 7.947 49.857 -78.572 1.00 38.52 ? 100 PHE C CB 1 ATOM 6167 C CG . PHE C 1 33 ? 8.150 48.525 -77.907 1.00 35.30 ? 100 PHE C CG 1 ATOM 6168 C CD1 . PHE C 1 33 ? 8.245 47.344 -78.651 1.00 42.60 ? 100 PHE C CD1 1 ATOM 6169 C CD2 . PHE C 1 33 ? 8.350 48.453 -76.538 1.00 39.82 ? 100 PHE C CD2 1 ATOM 6170 C CE1 . PHE C 1 33 ? 8.494 46.102 -78.029 1.00 42.15 ? 100 PHE C CE1 1 ATOM 6171 C CE2 . PHE C 1 33 ? 8.598 47.221 -75.903 1.00 44.13 ? 100 PHE C CE2 1 ATOM 6172 C CZ . PHE C 1 33 ? 8.679 46.051 -76.652 1.00 44.72 ? 100 PHE C CZ 1 ATOM 6173 N N . SER C 1 34 ? 4.981 50.605 -78.088 1.00 39.19 ? 101 SER C N 1 ATOM 6174 C CA . SER C 1 34 ? 3.762 50.342 -77.324 1.00 36.54 ? 101 SER C CA 1 ATOM 6175 C C . SER C 1 34 ? 3.071 51.635 -77.017 1.00 36.28 ? 101 SER C C 1 ATOM 6176 O O . SER C 1 34 ? 3.700 52.696 -76.908 1.00 37.47 ? 101 SER C O 1 ATOM 6177 C CB . SER C 1 34 ? 4.072 49.554 -76.068 1.00 41.10 ? 101 SER C CB 1 ATOM 6178 O OG . SER C 1 34 ? 2.935 49.047 -75.427 1.00 42.72 ? 101 SER C OG 1 ATOM 6179 N N . LYS C 1 35 ? 1.768 51.541 -76.842 1.00 36.43 ? 102 LYS C N 1 ATOM 6180 C CA . LYS C 1 35 ? 0.946 52.700 -76.460 1.00 39.18 ? 102 LYS C CA 1 ATOM 6181 C C . LYS C 1 35 ? -0.215 52.168 -75.667 1.00 38.78 ? 102 LYS C C 1 ATOM 6182 O O . LYS C 1 35 ? -0.775 51.162 -76.040 1.00 42.55 ? 102 LYS C O 1 ATOM 6183 C CB . LYS C 1 35 ? 0.434 53.371 -77.713 1.00 40.06 ? 102 LYS C CB 1 ATOM 6184 C CG . LYS C 1 35 ? -0.156 54.726 -77.484 1.00 40.37 ? 102 LYS C CG 1 ATOM 6185 C CD . LYS C 1 35 ? -0.605 55.382 -78.777 1.00 40.90 ? 102 LYS C CD 1 ATOM 6186 C CE . LYS C 1 35 ? -0.950 56.849 -78.530 1.00 42.35 ? 102 LYS C CE 1 ATOM 6187 N NZ . LYS C 1 35 ? -2.123 57.057 -77.619 1.00 45.61 ? 102 LYS C NZ 1 ATOM 6188 N N . ASP C 1 36 ? -0.606 52.787 -74.582 1.00 41.05 ? 103 ASP C N 1 ATOM 6189 C CA . ASP C 1 36 ? -1.684 52.144 -73.833 1.00 44.49 ? 103 ASP C CA 1 ATOM 6190 C C . ASP C 1 36 ? -3.079 52.750 -73.939 1.00 39.30 ? 103 ASP C C 1 ATOM 6191 O O . ASP C 1 36 ? -4.028 52.101 -73.576 1.00 43.01 ? 103 ASP C O 1 ATOM 6192 C CB . ASP C 1 36 ? -1.270 51.887 -72.371 1.00 56.42 ? 103 ASP C CB 1 ATOM 6193 C CG . ASP C 1 36 ? -1.280 53.120 -71.541 1.00 60.56 ? 103 ASP C CG 1 ATOM 6194 O OD1 . ASP C 1 36 ? -1.387 54.208 -72.169 1.00 65.82 ? 103 ASP C OD1 1 ATOM 6195 O OD2 . ASP C 1 36 ? -1.180 52.979 -70.265 1.00 72.42 ? 103 ASP C OD2 1 ATOM 6196 N N . ASN C 1 37 ? -3.198 53.964 -74.434 1.00 34.67 ? 104 ASN C N 1 ATOM 6197 C CA . ASN C 1 37 ? -4.489 54.601 -74.612 1.00 34.77 ? 104 ASN C CA 1 ATOM 6198 C C . ASN C 1 37 ? -5.382 54.728 -73.340 1.00 38.75 ? 104 ASN C C 1 ATOM 6199 O O . ASN C 1 37 ? -6.614 54.782 -73.461 1.00 36.10 ? 104 ASN C O 1 ATOM 6200 C CB . ASN C 1 37 ? -5.231 53.890 -75.697 1.00 36.05 ? 104 ASN C CB 1 ATOM 6201 C CG . ASN C 1 37 ? -4.594 54.090 -77.071 1.00 36.73 ? 104 ASN C CG 1 ATOM 6202 O OD1 . ASN C 1 37 ? -4.429 55.201 -77.538 1.00 40.39 ? 104 ASN C OD1 1 ATOM 6203 N ND2 . ASN C 1 37 ? -4.270 52.997 -77.723 1.00 37.34 ? 104 ASN C ND2 1 ATOM 6204 N N . SER C 1 38 ? -4.766 54.806 -72.156 1.00 35.15 ? 105 SER C N 1 ATOM 6205 C CA . SER C 1 38 ? -5.516 54.772 -70.885 1.00 39.15 ? 105 SER C CA 1 ATOM 6206 C C . SER C 1 38 ? -6.614 55.777 -70.750 1.00 36.89 ? 105 SER C C 1 ATOM 6207 O O . SER C 1 38 ? -7.679 55.444 -70.211 1.00 36.07 ? 105 SER C O 1 ATOM 6208 C CB . SER C 1 38 ? -4.612 55.043 -69.674 1.00 38.81 ? 105 SER C CB 1 ATOM 6209 O OG . SER C 1 38 ? -3.529 54.179 -69.748 1.00 55.54 ? 105 SER C OG 1 ATOM 6210 N N . ILE C 1 39 ? -6.340 57.018 -71.169 1.00 35.10 ? 106 ILE C N 1 ATOM 6211 C CA . ILE C 1 39 ? -7.305 58.091 -70.959 1.00 39.42 ? 106 ILE C CA 1 ATOM 6212 C C . ILE C 1 39 ? -8.485 57.937 -71.925 1.00 37.84 ? 106 ILE C C 1 ATOM 6213 O O . ILE C 1 39 ? -9.648 58.047 -71.510 1.00 37.42 ? 106 ILE C O 1 ATOM 6214 C CB . ILE C 1 39 ? -6.665 59.488 -71.100 1.00 42.82 ? 106 ILE C CB 1 ATOM 6215 C CG1 . ILE C 1 39 ? -5.437 59.645 -70.195 1.00 42.89 ? 106 ILE C CG1 1 ATOM 6216 C CG2 . ILE C 1 39 ? -7.659 60.575 -70.696 1.00 40.07 ? 106 ILE C CG2 1 ATOM 6217 C CD1 . ILE C 1 39 ? -5.692 59.270 -68.750 1.00 44.38 ? 106 ILE C CD1 1 ATOM 6218 N N . ARG C 1 40 ? -8.192 57.687 -73.206 1.00 37.76 ? 107 ARG C N 1 ATOM 6219 C CA . ARG C 1 40 ? -9.249 57.374 -74.179 1.00 37.99 ? 107 ARG C CA 1 ATOM 6220 C C . ARG C 1 40 ? -10.143 56.209 -73.664 1.00 41.88 ? 107 ARG C C 1 ATOM 6221 O O . ARG C 1 40 ? -11.385 56.284 -73.682 1.00 36.05 ? 107 ARG C O 1 ATOM 6222 C CB . ARG C 1 40 ? -8.663 57.045 -75.537 1.00 36.49 ? 107 ARG C CB 1 ATOM 6223 C CG . ARG C 1 40 ? -8.195 58.243 -76.285 1.00 35.93 ? 107 ARG C CG 1 ATOM 6224 C CD . ARG C 1 40 ? -7.363 57.865 -77.499 1.00 37.23 ? 107 ARG C CD 1 ATOM 6225 N NE . ARG C 1 40 ? -8.167 57.125 -78.469 1.00 33.66 ? 107 ARG C NE 1 ATOM 6226 C CZ . ARG C 1 40 ? -8.844 57.675 -79.455 1.00 32.85 ? 107 ARG C CZ 1 ATOM 6227 N NH1 . ARG C 1 40 ? -9.529 56.923 -80.290 1.00 35.99 ? 107 ARG C NH1 1 ATOM 6228 N NH2 . ARG C 1 40 ? -8.852 58.967 -79.596 1.00 34.18 ? 107 ARG C NH2 1 ATOM 6229 N N . LEU C 1 41 ? -9.520 55.162 -73.136 1.00 39.05 ? 108 LEU C N 1 ATOM 6230 C CA . LEU C 1 41 ? -10.321 54.068 -72.553 1.00 39.43 ? 108 LEU C CA 1 ATOM 6231 C C . LEU C 1 41 ? -11.117 54.436 -71.282 1.00 40.07 ? 108 LEU C C 1 ATOM 6232 O O . LEU C 1 41 ? -12.169 53.857 -71.016 1.00 43.49 ? 108 LEU C O 1 ATOM 6233 C CB . LEU C 1 41 ? -9.412 52.862 -72.281 1.00 37.77 ? 108 LEU C CB 1 ATOM 6234 C CG . LEU C 1 41 ? -8.734 52.283 -73.522 1.00 37.19 ? 108 LEU C CG 1 ATOM 6235 C CD1 . LEU C 1 41 ? -7.643 51.348 -73.103 1.00 36.53 ? 108 LEU C CD1 1 ATOM 6236 C CD2 . LEU C 1 41 ? -9.720 51.528 -74.404 1.00 40.33 ? 108 LEU C CD2 1 ATOM 6237 N N . SER C 1 42 ? -10.571 55.337 -70.465 1.00 40.29 ? 109 SER C N 1 ATOM 6238 C CA . SER C 1 42 ? -11.177 55.745 -69.193 1.00 39.80 ? 109 SER C CA 1 ATOM 6239 C C . SER C 1 42 ? -12.540 56.358 -69.363 1.00 42.46 ? 109 SER C C 1 ATOM 6240 O O . SER C 1 42 ? -13.350 56.371 -68.448 1.00 49.53 ? 109 SER C O 1 ATOM 6241 C CB . SER C 1 42 ? -10.259 56.730 -68.501 1.00 42.93 ? 109 SER C CB 1 ATOM 6242 O OG . SER C 1 42 ? -9.079 56.070 -68.046 1.00 46.85 ? 109 SER C OG 1 ATOM 6243 N N . ALA C 1 43 ? -12.800 56.847 -70.558 1.00 43.70 ? 110 ALA C N 1 ATOM 6244 C CA . ALA C 1 43 ? -14.074 57.430 -70.910 1.00 39.95 ? 110 ALA C CA 1 ATOM 6245 C C . ALA C 1 43 ? -15.141 56.436 -71.231 1.00 43.19 ? 110 ALA C C 1 ATOM 6246 O O . ALA C 1 43 ? -16.260 56.821 -71.531 1.00 44.76 ? 110 ALA C O 1 ATOM 6247 C CB . ALA C 1 43 ? -13.890 58.384 -72.092 1.00 42.19 ? 110 ALA C CB 1 ATOM 6248 N N . GLY C 1 44 ? -14.811 55.147 -71.222 1.00 45.34 ? 111 GLY C N 1 ATOM 6249 C CA . GLY C 1 44 ? -15.848 54.120 -71.407 1.00 48.04 ? 111 GLY C CA 1 ATOM 6250 C C . GLY C 1 44 ? -15.402 52.796 -70.816 1.00 50.12 ? 111 GLY C C 1 ATOM 6251 O O . GLY C 1 44 ? -15.361 51.758 -71.482 1.00 58.90 ? 111 GLY C O 1 ATOM 6252 N N . GLY C 1 45 ? -15.051 52.848 -69.554 1.00 49.62 ? 112 GLY C N 1 ATOM 6253 C CA . GLY C 1 45 ? -14.521 51.692 -68.851 1.00 47.26 ? 112 GLY C CA 1 ATOM 6254 C C . GLY C 1 45 ? -13.851 52.110 -67.551 1.00 41.98 ? 112 GLY C C 1 ATOM 6255 O O . GLY C 1 45 ? -13.541 53.306 -67.344 1.00 45.48 ? 112 GLY C O 1 ATOM 6256 N N . ASP C 1 46 ? -13.665 51.129 -66.682 1.00 41.96 ? 113 ASP C N 1 ATOM 6257 C CA . ASP C 1 46 ? -13.053 51.323 -65.343 1.00 43.36 ? 113 ASP C CA 1 ATOM 6258 C C . ASP C 1 46 ? -11.551 51.146 -65.422 1.00 40.91 ? 113 ASP C C 1 ATOM 6259 O O . ASP C 1 46 ? -11.070 50.029 -65.562 1.00 42.33 ? 113 ASP C O 1 ATOM 6260 C CB . ASP C 1 46 ? -13.676 50.368 -64.341 1.00 45.38 ? 113 ASP C CB 1 ATOM 6261 C CG . ASP C 1 46 ? -15.206 50.468 -64.326 1.00 49.18 ? 113 ASP C CG 1 ATOM 6262 O OD1 . ASP C 1 46 ? -15.702 51.612 -64.140 1.00 52.41 ? 113 ASP C OD1 1 ATOM 6263 O OD2 . ASP C 1 46 ? -15.895 49.418 -64.548 1.00 59.25 ? 113 ASP C OD2 1 ATOM 6264 N N . ILE C 1 47 ? -10.853 52.273 -65.382 1.00 35.76 ? 114 ILE C N 1 ATOM 6265 C CA . ILE C 1 47 ? -9.446 52.356 -65.543 1.00 37.21 ? 114 ILE C CA 1 ATOM 6266 C C . ILE C 1 47 ? -8.839 53.161 -64.379 1.00 35.34 ? 114 ILE C C 1 ATOM 6267 O O . ILE C 1 47 ? -9.378 54.173 -63.970 1.00 36.42 ? 114 ILE C O 1 ATOM 6268 C CB . ILE C 1 47 ? -9.088 53.068 -66.866 1.00 38.64 ? 114 ILE C CB 1 ATOM 6269 C CG1 . ILE C 1 47 ? -9.614 52.319 -68.090 1.00 40.32 ? 114 ILE C CG1 1 ATOM 6270 C CG2 . ILE C 1 47 ? -7.580 53.281 -66.971 1.00 35.24 ? 114 ILE C CG2 1 ATOM 6271 C CD1 . ILE C 1 47 ? -8.978 50.953 -68.334 1.00 43.43 ? 114 ILE C CD1 1 ATOM 6272 N N . TRP C 1 48 ? -7.705 52.688 -63.863 1.00 32.93 ? 115 TRP C N 1 ATOM 6273 C CA . TRP C 1 48 ? -7.035 53.328 -62.735 1.00 33.21 ? 115 TRP C CA 1 ATOM 6274 C C . TRP C 1 48 ? -6.579 54.732 -63.078 1.00 33.63 ? 115 TRP C C 1 ATOM 6275 O O . TRP C 1 48 ? -6.141 54.992 -64.199 1.00 34.48 ? 115 TRP C O 1 ATOM 6276 C CB . TRP C 1 48 ? -5.782 52.557 -62.352 1.00 35.84 ? 115 TRP C CB 1 ATOM 6277 C CG . TRP C 1 48 ? -6.025 51.401 -61.467 1.00 37.81 ? 115 TRP C CG 1 ATOM 6278 C CD1 . TRP C 1 48 ? -6.360 50.168 -61.841 1.00 37.56 ? 115 TRP C CD1 1 ATOM 6279 C CD2 . TRP C 1 48 ? -5.964 51.397 -60.041 1.00 39.16 ? 115 TRP C CD2 1 ATOM 6280 N NE1 . TRP C 1 48 ? -6.552 49.370 -60.748 1.00 36.26 ? 115 TRP C NE1 1 ATOM 6281 C CE2 . TRP C 1 48 ? -6.314 50.102 -59.621 1.00 38.40 ? 115 TRP C CE2 1 ATOM 6282 C CE3 . TRP C 1 48 ? -5.640 52.369 -59.073 1.00 39.03 ? 115 TRP C CE3 1 ATOM 6283 C CZ2 . TRP C 1 48 ? -6.343 49.727 -58.265 1.00 40.07 ? 115 TRP C CZ2 1 ATOM 6284 C CZ3 . TRP C 1 48 ? -5.695 52.002 -57.699 1.00 38.10 ? 115 TRP C CZ3 1 ATOM 6285 C CH2 . TRP C 1 48 ? -6.032 50.705 -57.318 1.00 39.35 ? 115 TRP C CH2 1 ATOM 6286 N N . VAL C 1 49 ? -6.692 55.644 -62.121 1.00 34.54 ? 116 VAL C N 1 ATOM 6287 C CA . VAL C 1 49 ? -6.005 56.933 -62.186 1.00 36.03 ? 116 VAL C CA 1 ATOM 6288 C C . VAL C 1 49 ? -4.571 56.752 -61.712 1.00 38.49 ? 116 VAL C C 1 ATOM 6289 O O . VAL C 1 49 ? -4.334 56.110 -60.692 1.00 34.89 ? 116 VAL C O 1 ATOM 6290 C CB . VAL C 1 49 ? -6.677 57.957 -61.270 1.00 39.11 ? 116 VAL C CB 1 ATOM 6291 C CG1 . VAL C 1 49 ? -5.826 59.206 -61.156 1.00 42.00 ? 116 VAL C CG1 1 ATOM 6292 C CG2 . VAL C 1 49 ? -8.045 58.305 -61.805 1.00 38.35 ? 116 VAL C CG2 1 ATOM 6293 N N . THR C 1 50 ? -3.624 57.282 -62.490 1.00 42.04 ? 117 THR C N 1 ATOM 6294 C CA . THR C 1 50 ? -2.212 57.094 -62.231 1.00 39.32 ? 117 THR C CA 1 ATOM 6295 C C . THR C 1 50 ? -1.342 58.304 -62.541 1.00 37.49 ? 117 THR C C 1 ATOM 6296 O O . THR C 1 50 ? -1.789 59.290 -63.116 1.00 37.39 ? 117 THR C O 1 ATOM 6297 C CB . THR C 1 50 ? -1.624 55.965 -63.135 1.00 47.09 ? 117 THR C CB 1 ATOM 6298 O OG1 . THR C 1 50 ? -1.648 56.363 -64.491 1.00 46.09 ? 117 THR C OG1 1 ATOM 6299 C CG2 . THR C 1 50 ? -2.362 54.670 -63.047 1.00 46.46 ? 117 THR C CG2 1 ATOM 6300 N N . ARG C 1 51 ? -0.078 58.202 -62.129 1.00 36.85 ? 118 ARG C N 1 ATOM 6301 C CA . ARG C 1 51 ? 1.021 59.056 -62.585 1.00 36.61 ? 118 ARG C CA 1 ATOM 6302 C C . ARG C 1 51 ? 2.338 58.390 -62.288 1.00 34.94 ? 118 ARG C C 1 ATOM 6303 O O . ARG C 1 51 ? 2.395 57.349 -61.633 1.00 33.73 ? 118 ARG C O 1 ATOM 6304 C CB . ARG C 1 51 ? 1.008 60.476 -61.972 1.00 38.95 ? 118 ARG C CB 1 ATOM 6305 C CG . ARG C 1 51 ? 0.330 61.529 -62.856 1.00 43.14 ? 118 ARG C CG 1 ATOM 6306 C CD . ARG C 1 51 ? 0.951 62.906 -62.732 1.00 41.76 ? 118 ARG C CD 1 ATOM 6307 N NE . ARG C 1 51 ? 2.311 62.873 -63.255 1.00 45.20 ? 118 ARG C NE 1 ATOM 6308 C CZ . ARG C 1 51 ? 3.320 63.640 -62.866 1.00 43.27 ? 118 ARG C CZ 1 ATOM 6309 N NH1 . ARG C 1 51 ? 3.137 64.569 -61.970 1.00 43.00 ? 118 ARG C NH1 1 ATOM 6310 N NH2 . ARG C 1 51 ? 4.531 63.498 -63.403 1.00 42.57 ? 118 ARG C NH2 1 ATOM 6311 N N . GLU C 1 52 ? 3.399 58.980 -62.839 1.00 36.09 ? 119 GLU C N 1 ATOM 6312 C CA . GLU C 1 52 ? 4.757 58.519 -62.628 1.00 34.91 ? 119 GLU C CA 1 ATOM 6313 C C . GLU C 1 52 ? 4.909 57.106 -63.109 1.00 35.00 ? 119 GLU C C 1 ATOM 6314 O O . GLU C 1 52 ? 5.351 56.209 -62.342 1.00 37.37 ? 119 GLU C O 1 ATOM 6315 C CB . GLU C 1 52 ? 5.168 58.669 -61.126 1.00 38.33 ? 119 GLU C CB 1 ATOM 6316 C CG . GLU C 1 52 ? 5.237 60.114 -60.595 1.00 36.72 ? 119 GLU C CG 1 ATOM 6317 C CD . GLU C 1 52 ? 3.939 60.676 -59.979 1.00 40.41 ? 119 GLU C CD 1 ATOM 6318 O OE1 . GLU C 1 52 ? 3.070 59.923 -59.468 1.00 40.01 ? 119 GLU C OE1 1 ATOM 6319 O OE2 . GLU C 1 52 ? 3.773 61.913 -60.030 1.00 46.35 ? 119 GLU C OE2 1 ATOM 6320 N N . PRO C 1 53 ? 4.518 56.850 -64.365 1.00 35.78 ? 120 PRO C N 1 ATOM 6321 C CA . PRO C 1 53 ? 4.684 55.481 -64.872 1.00 35.91 ? 120 PRO C CA 1 ATOM 6322 C C . PRO C 1 53 ? 6.128 55.163 -65.238 1.00 35.23 ? 120 PRO C C 1 ATOM 6323 O O . PRO C 1 53 ? 6.927 56.089 -65.460 1.00 34.36 ? 120 PRO C O 1 ATOM 6324 C CB . PRO C 1 53 ? 3.858 55.493 -66.178 1.00 31.72 ? 120 PRO C CB 1 ATOM 6325 C CG . PRO C 1 53 ? 4.095 56.871 -66.677 1.00 33.58 ? 120 PRO C CG 1 ATOM 6326 C CD . PRO C 1 53 ? 4.140 57.760 -65.451 1.00 34.95 ? 120 PRO C CD 1 ATOM 6327 N N . TYR C 1 54 ? 6.394 53.862 -65.465 1.00 32.67 ? 121 TYR C N 1 ATOM 6328 C CA . TYR C 1 54 ? 7.656 53.429 -66.095 1.00 32.11 ? 121 TYR C CA 1 ATOM 6329 C C . TYR C 1 54 ? 7.531 52.023 -66.634 1.00 34.34 ? 121 TYR C C 1 ATOM 6330 O O . TYR C 1 54 ? 6.487 51.395 -66.532 1.00 36.15 ? 121 TYR C O 1 ATOM 6331 C CB . TYR C 1 54 ? 8.829 53.567 -65.134 1.00 30.81 ? 121 TYR C CB 1 ATOM 6332 C CG . TYR C 1 54 ? 8.719 52.827 -63.806 1.00 31.74 ? 121 TYR C CG 1 ATOM 6333 C CD1 . TYR C 1 54 ? 8.100 53.425 -62.713 1.00 32.00 ? 121 TYR C CD1 1 ATOM 6334 C CD2 . TYR C 1 54 ? 9.275 51.559 -63.623 1.00 32.54 ? 121 TYR C CD2 1 ATOM 6335 C CE1 . TYR C 1 54 ? 8.012 52.785 -61.489 1.00 34.00 ? 121 TYR C CE1 1 ATOM 6336 C CE2 . TYR C 1 54 ? 9.133 50.883 -62.404 1.00 36.78 ? 121 TYR C CE2 1 ATOM 6337 C CZ . TYR C 1 54 ? 8.507 51.532 -61.317 1.00 38.45 ? 121 TYR C CZ 1 ATOM 6338 O OH . TYR C 1 54 ? 8.354 50.942 -60.076 1.00 34.68 ? 121 TYR C OH 1 ATOM 6339 N N . VAL C 1 55 ? 8.605 51.548 -67.241 1.00 37.31 ? 122 VAL C N 1 ATOM 6340 C CA . VAL C 1 55 ? 8.632 50.245 -67.863 1.00 36.35 ? 122 VAL C CA 1 ATOM 6341 C C . VAL C 1 55 ? 9.901 49.497 -67.387 1.00 36.38 ? 122 VAL C C 1 ATOM 6342 O O . VAL C 1 55 ? 10.905 50.085 -67.195 1.00 38.63 ? 122 VAL C O 1 ATOM 6343 C CB . VAL C 1 55 ? 8.578 50.384 -69.387 1.00 36.86 ? 122 VAL C CB 1 ATOM 6344 C CG1 . VAL C 1 55 ? 8.717 49.035 -70.068 1.00 36.17 ? 122 VAL C CG1 1 ATOM 6345 C CG2 . VAL C 1 55 ? 7.311 51.114 -69.851 1.00 34.87 ? 122 VAL C CG2 1 ATOM 6346 N N . SER C 1 56 ? 9.793 48.184 -67.166 1.00 39.54 ? 123 SER C N 1 ATOM 6347 C CA . SER C 1 56 ? 10.916 47.302 -66.838 1.00 40.13 ? 123 SER C CA 1 ATOM 6348 C C . SER C 1 56 ? 10.597 45.886 -67.311 1.00 40.87 ? 123 SER C C 1 ATOM 6349 O O . SER C 1 56 ? 9.451 45.495 -67.302 1.00 36.24 ? 123 SER C O 1 ATOM 6350 C CB . SER C 1 56 ? 11.240 47.354 -65.340 1.00 45.64 ? 123 SER C CB 1 ATOM 6351 O OG . SER C 1 56 ? 12.463 46.649 -65.057 1.00 43.03 ? 123 SER C OG 1 ATOM 6352 N N . CYS C 1 57 ? 11.621 45.152 -67.758 1.00 44.90 ? 124 CYS C N 1 ATOM 6353 C CA . CYS C 1 57 ? 11.449 43.792 -68.311 1.00 48.42 ? 124 CYS C CA 1 ATOM 6354 C C . CYS C 1 57 ? 12.173 42.764 -67.422 1.00 44.90 ? 124 CYS C C 1 ATOM 6355 O O . CYS C 1 57 ? 13.267 42.983 -67.041 1.00 45.09 ? 124 CYS C O 1 ATOM 6356 C CB . CYS C 1 57 ? 11.946 43.722 -69.776 1.00 46.79 ? 124 CYS C CB 1 ATOM 6357 S SG . CYS C 1 57 ? 11.224 45.056 -70.830 1.00 55.67 ? 124 CYS C SG 1 ATOM 6358 N N . SER C 1 58 ? 11.506 41.680 -67.057 1.00 42.91 ? 125 SER C N 1 ATOM 6359 C CA . SER C 1 58 ? 12.136 40.468 -66.620 1.00 46.34 ? 125 SER C CA 1 ATOM 6360 C C . SER C 1 58 ? 12.707 39.769 -67.882 1.00 48.27 ? 125 SER C C 1 ATOM 6361 O O . SER C 1 58 ? 12.579 40.286 -68.985 1.00 46.98 ? 125 SER C O 1 ATOM 6362 C CB . SER C 1 58 ? 11.128 39.529 -65.989 1.00 45.70 ? 125 SER C CB 1 ATOM 6363 O OG . SER C 1 58 ? 10.184 39.126 -66.975 1.00 41.26 ? 125 SER C OG 1 ATOM 6364 N N . PRO C 1 59 ? 13.404 38.629 -67.709 1.00 49.18 ? 126 PRO C N 1 ATOM 6365 C CA . PRO C 1 59 ? 14.025 38.013 -68.923 1.00 50.68 ? 126 PRO C CA 1 ATOM 6366 C C . PRO C 1 59 ? 12.944 37.470 -69.825 1.00 50.26 ? 126 PRO C C 1 ATOM 6367 O O . PRO C 1 59 ? 13.141 37.406 -71.005 1.00 49.23 ? 126 PRO C O 1 ATOM 6368 C CB . PRO C 1 59 ? 14.909 36.900 -68.347 1.00 43.35 ? 126 PRO C CB 1 ATOM 6369 C CG . PRO C 1 59 ? 15.267 37.388 -66.979 1.00 50.29 ? 126 PRO C CG 1 ATOM 6370 C CD . PRO C 1 59 ? 14.048 38.159 -66.474 1.00 48.24 ? 126 PRO C CD 1 ATOM 6371 N N . GLY C 1 60 ? 11.803 37.126 -69.242 1.00 50.27 ? 127 GLY C N 1 ATOM 6372 C CA . GLY C 1 60 ? 10.671 36.610 -70.002 1.00 54.78 ? 127 GLY C CA 1 ATOM 6373 C C . GLY C 1 60 ? 9.711 37.641 -70.577 1.00 58.00 ? 127 GLY C C 1 ATOM 6374 O O . GLY C 1 60 ? 9.192 37.439 -71.633 1.00 60.45 ? 127 GLY C O 1 ATOM 6375 N N . LYS C 1 61 ? 9.453 38.736 -69.863 1.00 66.87 ? 128 LYS C N 1 ATOM 6376 C CA . LYS C 1 61 ? 8.629 39.806 -70.431 1.00 58.62 ? 128 LYS C CA 1 ATOM 6377 C C . LYS C 1 61 ? 8.691 41.187 -69.813 1.00 52.28 ? 128 LYS C C 1 ATOM 6378 O O . LYS C 1 61 ? 9.244 41.396 -68.714 1.00 50.97 ? 128 LYS C O 1 ATOM 6379 C CB . LYS C 1 61 ? 7.189 39.363 -70.470 1.00 68.04 ? 128 LYS C CB 1 ATOM 6380 C CG . LYS C 1 61 ? 6.473 39.384 -69.149 1.00 72.89 ? 128 LYS C CG 1 ATOM 6381 C CD . LYS C 1 61 ? 5.307 38.406 -69.171 1.00 86.23 ? 128 LYS C CD 1 ATOM 6382 C CE . LYS C 1 61 ? 4.714 38.166 -70.561 1.00 86.25 ? 128 LYS C CE 1 ATOM 6383 N NZ . LYS C 1 61 ? 3.756 37.031 -70.511 1.00 93.42 ? 128 LYS C NZ 1 ATOM 6384 N N . CYS C 1 62 ? 8.073 42.122 -70.540 1.00 43.74 ? 129 CYS C N 1 ATOM 6385 C CA . CYS C 1 62 ? 7.990 43.535 -70.163 1.00 45.06 ? 129 CYS C CA 1 ATOM 6386 C C . CYS C 1 62 ? 6.730 43.921 -69.413 1.00 40.68 ? 129 CYS C C 1 ATOM 6387 O O . CYS C 1 62 ? 5.663 43.439 -69.704 1.00 38.43 ? 129 CYS C O 1 ATOM 6388 C CB . CYS C 1 62 ? 8.133 44.421 -71.385 1.00 46.85 ? 129 CYS C CB 1 ATOM 6389 S SG . CYS C 1 62 ? 9.792 44.215 -72.135 1.00 57.05 ? 129 CYS C SG 1 ATOM 6390 N N . TYR C 1 63 ? 6.885 44.839 -68.458 1.00 37.47 ? 130 TYR C N 1 ATOM 6391 C CA . TYR C 1 63 ? 5.782 45.310 -67.667 1.00 36.36 ? 130 TYR C CA 1 ATOM 6392 C C . TYR C 1 63 ? 5.738 46.812 -67.647 1.00 38.11 ? 130 TYR C C 1 ATOM 6393 O O . TYR C 1 63 ? 6.769 47.447 -67.725 1.00 38.72 ? 130 TYR C O 1 ATOM 6394 C CB . TYR C 1 63 ? 5.902 44.788 -66.223 1.00 37.67 ? 130 TYR C CB 1 ATOM 6395 C CG . TYR C 1 63 ? 5.787 43.315 -66.079 1.00 37.16 ? 130 TYR C CG 1 ATOM 6396 C CD1 . TYR C 1 63 ? 6.885 42.493 -66.321 1.00 40.26 ? 130 TYR C CD1 1 ATOM 6397 C CD2 . TYR C 1 63 ? 4.571 42.712 -65.746 1.00 44.12 ? 130 TYR C CD2 1 ATOM 6398 C CE1 . TYR C 1 63 ? 6.774 41.108 -66.217 1.00 42.16 ? 130 TYR C CE1 1 ATOM 6399 C CE2 . TYR C 1 63 ? 4.454 41.328 -65.624 1.00 44.88 ? 130 TYR C CE2 1 ATOM 6400 C CZ . TYR C 1 63 ? 5.572 40.541 -65.869 1.00 43.81 ? 130 TYR C CZ 1 ATOM 6401 O OH . TYR C 1 63 ? 5.493 39.204 -65.774 1.00 50.77 ? 130 TYR C OH 1 ATOM 6402 N N . GLN C 1 64 ? 4.528 47.365 -67.561 1.00 34.50 ? 131 GLN C N 1 ATOM 6403 C CA . GLN C 1 64 ? 4.346 48.760 -67.272 1.00 38.06 ? 131 GLN C CA 1 ATOM 6404 C C . GLN C 1 64 ? 3.897 48.950 -65.823 1.00 36.27 ? 131 GLN C C 1 ATOM 6405 O O . GLN C 1 64 ? 3.206 48.113 -65.268 1.00 36.50 ? 131 GLN C O 1 ATOM 6406 C CB . GLN C 1 64 ? 3.367 49.457 -68.211 1.00 38.71 ? 131 GLN C CB 1 ATOM 6407 C CG . GLN C 1 64 ? 1.980 48.865 -68.268 1.00 46.93 ? 131 GLN C CG 1 ATOM 6408 C CD . GLN C 1 64 ? 1.137 49.490 -69.393 1.00 45.72 ? 131 GLN C CD 1 ATOM 6409 O OE1 . GLN C 1 64 ? 1.277 49.152 -70.567 1.00 47.67 ? 131 GLN C OE1 1 ATOM 6410 N NE2 . GLN C 1 64 ? 0.219 50.353 -69.014 1.00 49.42 ? 131 GLN C NE2 1 ATOM 6411 N N . PHE C 1 65 ? 4.412 50.013 -65.208 1.00 34.27 ? 132 PHE C N 1 ATOM 6412 C CA . PHE C 1 65 ? 4.226 50.276 -63.803 1.00 34.60 ? 132 PHE C CA 1 ATOM 6413 C C . PHE C 1 65 ? 3.730 51.687 -63.691 1.00 35.85 ? 132 PHE C C 1 ATOM 6414 O O . PHE C 1 65 ? 3.995 52.520 -64.567 1.00 27.99 ? 132 PHE C O 1 ATOM 6415 C CB . PHE C 1 65 ? 5.503 50.227 -63.034 1.00 34.15 ? 132 PHE C CB 1 ATOM 6416 C CG . PHE C 1 65 ? 6.136 48.852 -62.960 1.00 37.06 ? 132 PHE C CG 1 ATOM 6417 C CD1 . PHE C 1 65 ? 7.015 48.418 -63.959 1.00 36.69 ? 132 PHE C CD1 1 ATOM 6418 C CD2 . PHE C 1 65 ? 5.971 48.072 -61.832 1.00 38.07 ? 132 PHE C CD2 1 ATOM 6419 C CE1 . PHE C 1 65 ? 7.647 47.214 -63.860 1.00 36.72 ? 132 PHE C CE1 1 ATOM 6420 C CE2 . PHE C 1 65 ? 6.607 46.868 -61.710 1.00 43.41 ? 132 PHE C CE2 1 ATOM 6421 C CZ . PHE C 1 65 ? 7.481 46.447 -62.712 1.00 41.28 ? 132 PHE C CZ 1 ATOM 6422 N N . ALA C 1 66 ? 3.018 51.950 -62.606 1.00 34.83 ? 133 ALA C N 1 ATOM 6423 C CA . ALA C 1 66 ? 2.657 53.329 -62.298 1.00 36.98 ? 133 ALA C CA 1 ATOM 6424 C C . ALA C 1 66 ? 2.172 53.466 -60.877 1.00 35.39 ? 133 ALA C C 1 ATOM 6425 O O . ALA C 1 66 ? 1.795 52.469 -60.238 1.00 38.85 ? 133 ALA C O 1 ATOM 6426 C CB . ALA C 1 66 ? 1.582 53.815 -63.229 1.00 33.71 ? 133 ALA C CB 1 ATOM 6427 N N . LEU C 1 67 ? 2.145 54.693 -60.380 1.00 34.94 ? 134 LEU C N 1 ATOM 6428 C CA . LEU C 1 67 ? 1.592 54.921 -59.021 1.00 33.19 ? 134 LEU C CA 1 ATOM 6429 C C . LEU C 1 67 ? 0.119 55.241 -59.142 1.00 33.89 ? 134 LEU C C 1 ATOM 6430 O O . LEU C 1 67 ? -0.265 56.285 -59.663 1.00 32.83 ? 134 LEU C O 1 ATOM 6431 C CB . LEU C 1 67 ? 2.304 56.038 -58.325 1.00 31.49 ? 134 LEU C CB 1 ATOM 6432 C CG . LEU C 1 67 ? 3.793 55.899 -58.152 1.00 34.69 ? 134 LEU C CG 1 ATOM 6433 C CD1 . LEU C 1 67 ? 4.450 57.150 -57.528 1.00 37.32 ? 134 LEU C CD1 1 ATOM 6434 C CD2 . LEU C 1 67 ? 4.086 54.714 -57.262 1.00 34.89 ? 134 LEU C CD2 1 ATOM 6435 N N . GLY C 1 68 ? -0.719 54.313 -58.700 1.00 32.92 ? 135 GLY C N 1 ATOM 6436 C CA . GLY C 1 68 ? -2.132 54.578 -58.683 1.00 31.57 ? 135 GLY C CA 1 ATOM 6437 C C . GLY C 1 68 ? -2.472 55.628 -57.674 1.00 33.14 ? 135 GLY C C 1 ATOM 6438 O O . GLY C 1 68 ? -1.703 55.928 -56.748 1.00 36.05 ? 135 GLY C O 1 ATOM 6439 N N . GLN C 1 69 ? -3.688 56.125 -57.788 1.00 33.73 ? 136 GLN C N 1 ATOM 6440 C CA . GLN C 1 69 ? -4.245 57.037 -56.834 1.00 33.54 ? 136 GLN C CA 1 ATOM 6441 C C . GLN C 1 69 ? -5.390 56.411 -55.992 1.00 38.06 ? 136 GLN C C 1 ATOM 6442 O O . GLN C 1 69 ? -6.231 57.123 -55.427 1.00 36.14 ? 136 GLN C O 1 ATOM 6443 C CB . GLN C 1 69 ? -4.731 58.265 -57.582 1.00 35.67 ? 136 GLN C CB 1 ATOM 6444 C CG . GLN C 1 69 ? -3.596 59.096 -58.110 1.00 36.22 ? 136 GLN C CG 1 ATOM 6445 C CD . GLN C 1 69 ? -2.997 59.988 -57.034 1.00 39.34 ? 136 GLN C CD 1 ATOM 6446 O OE1 . GLN C 1 69 ? -3.228 59.797 -55.841 1.00 44.69 ? 136 GLN C OE1 1 ATOM 6447 N NE2 . GLN C 1 69 ? -2.214 60.949 -57.450 1.00 43.67 ? 136 GLN C NE2 1 ATOM 6448 N N . GLY C 1 70 ? -5.432 55.107 -55.934 1.00 34.32 ? 137 GLY C N 1 ATOM 6449 C CA . GLY C 1 70 ? -6.442 54.435 -55.154 1.00 39.90 ? 137 GLY C CA 1 ATOM 6450 C C . GLY C 1 70 ? -7.861 54.609 -55.662 1.00 37.85 ? 137 GLY C C 1 ATOM 6451 O O . GLY C 1 70 ? -8.819 54.467 -54.904 1.00 38.52 ? 137 GLY C O 1 ATOM 6452 N N . THR C 1 71 ? -8.003 54.840 -56.953 1.00 33.87 ? 138 THR C N 1 ATOM 6453 C CA . THR C 1 71 ? -9.300 55.082 -57.544 1.00 36.40 ? 138 THR C CA 1 ATOM 6454 C C . THR C 1 71 ? -9.246 54.945 -59.051 1.00 36.38 ? 138 THR C C 1 ATOM 6455 O O . THR C 1 71 ? -8.153 55.017 -59.656 1.00 38.04 ? 138 THR C O 1 ATOM 6456 C CB . THR C 1 71 ? -9.796 56.494 -57.223 1.00 38.42 ? 138 THR C CB 1 ATOM 6457 O OG1 . THR C 1 71 ? -11.099 56.700 -57.808 1.00 41.19 ? 138 THR C OG1 1 ATOM 6458 C CG2 . THR C 1 71 ? -8.806 57.519 -57.737 1.00 38.54 ? 138 THR C CG2 1 ATOM 6459 N N . THR C 1 72 ? -10.406 54.659 -59.634 1.00 34.22 ? 139 THR C N 1 ATOM 6460 C CA . THR C 1 72 ? -10.564 54.707 -61.078 1.00 36.78 ? 139 THR C CA 1 ATOM 6461 C C . THR C 1 72 ? -10.950 56.118 -61.448 1.00 36.68 ? 139 THR C C 1 ATOM 6462 O O . THR C 1 72 ? -11.162 56.970 -60.605 1.00 36.32 ? 139 THR C O 1 ATOM 6463 C CB . THR C 1 72 ? -11.640 53.732 -61.580 1.00 37.86 ? 139 THR C CB 1 ATOM 6464 O OG1 . THR C 1 72 ? -12.808 53.791 -60.728 1.00 37.50 ? 139 THR C OG1 1 ATOM 6465 C CG2 . THR C 1 72 ? -11.050 52.305 -61.541 1.00 35.84 ? 139 THR C CG2 1 ATOM 6466 N N . LEU C 1 73 ? -10.988 56.389 -62.733 1.00 33.25 ? 140 LEU C N 1 ATOM 6467 C CA . LEU C 1 73 ? -11.182 57.754 -63.168 1.00 36.15 ? 140 LEU C CA 1 ATOM 6468 C C . LEU C 1 73 ? -12.623 58.164 -63.140 1.00 35.63 ? 140 LEU C C 1 ATOM 6469 O O . LEU C 1 73 ? -12.932 59.266 -62.736 1.00 40.14 ? 140 LEU C O 1 ATOM 6470 C CB . LEU C 1 73 ? -10.559 57.892 -64.524 1.00 30.94 ? 140 LEU C CB 1 ATOM 6471 C CG . LEU C 1 73 ? -10.683 59.028 -65.527 1.00 31.40 ? 140 LEU C CG 1 ATOM 6472 C CD1 . LEU C 1 73 ? -11.856 59.924 -65.507 1.00 33.68 ? 140 LEU C CD1 1 ATOM 6473 C CD2 . LEU C 1 73 ? -9.411 59.777 -65.732 1.00 33.50 ? 140 LEU C CD2 1 ATOM 6474 N N . ASN C 1 74 ? -13.477 57.282 -63.564 1.00 35.08 ? 141 ASN C N 1 ATOM 6475 C CA . ASN C 1 74 ? -14.871 57.556 -63.533 1.00 38.77 ? 141 ASN C CA 1 ATOM 6476 C C . ASN C 1 74 ? -15.445 57.162 -62.192 1.00 39.45 ? 141 ASN C C 1 ATOM 6477 O O . ASN C 1 74 ? -16.081 56.122 -62.041 1.00 41.85 ? 141 ASN C O 1 ATOM 6478 C CB . ASN C 1 74 ? -15.581 56.804 -64.668 1.00 30.20 ? 141 ASN C CB 1 ATOM 6479 C CG . ASN C 1 74 ? -17.026 57.248 -64.790 1.00 34.19 ? 141 ASN C CG 1 ATOM 6480 O OD1 . ASN C 1 74 ? -17.435 58.329 -64.324 1.00 32.22 ? 141 ASN C OD1 1 ATOM 6481 N ND2 . ASN C 1 74 ? -17.817 56.452 -65.421 1.00 34.09 ? 141 ASN C ND2 1 ATOM 6482 N N . ASN C 1 75 ? -15.142 58.005 -61.216 1.00 39.47 ? 142 ASN C N 1 ATOM 6483 C CA . ASN C 1 75 ? -15.269 57.684 -59.802 1.00 38.40 ? 142 ASN C CA 1 ATOM 6484 C C . ASN C 1 75 ? -15.095 59.018 -59.119 1.00 37.60 ? 142 ASN C C 1 ATOM 6485 O O . ASN C 1 75 ? -14.126 59.750 -59.403 1.00 38.00 ? 142 ASN C O 1 ATOM 6486 C CB . ASN C 1 75 ? -14.148 56.712 -59.415 1.00 35.93 ? 142 ASN C CB 1 ATOM 6487 C CG . ASN C 1 75 ? -14.255 56.165 -57.973 1.00 38.74 ? 142 ASN C CG 1 ATOM 6488 O OD1 . ASN C 1 75 ? -14.588 56.868 -57.066 1.00 41.42 ? 142 ASN C OD1 1 ATOM 6489 N ND2 . ASN C 1 75 ? -13.859 54.906 -57.781 1.00 39.93 ? 142 ASN C ND2 1 ATOM 6490 N N . LYS C 1 76 ? -15.969 59.331 -58.181 1.00 36.12 ? 143 LYS C N 1 ATOM 6491 C CA . LYS C 1 76 ? -15.821 60.601 -57.456 1.00 39.36 ? 143 LYS C CA 1 ATOM 6492 C C . LYS C 1 76 ? -14.530 60.749 -56.641 1.00 38.34 ? 143 LYS C C 1 ATOM 6493 O O . LYS C 1 76 ? -14.082 61.866 -56.427 1.00 38.11 ? 143 LYS C O 1 ATOM 6494 C CB . LYS C 1 76 ? -17.031 60.895 -56.610 1.00 45.96 ? 143 LYS C CB 1 ATOM 6495 C CG . LYS C 1 76 ? -18.180 61.299 -57.496 1.00 51.25 ? 143 LYS C CG 1 ATOM 6496 C CD . LYS C 1 76 ? -19.480 61.440 -56.755 1.00 62.98 ? 143 LYS C CD 1 ATOM 6497 C CE . LYS C 1 76 ? -20.547 61.781 -57.776 1.00 70.08 ? 143 LYS C CE 1 ATOM 6498 N NZ . LYS C 1 76 ? -21.863 61.892 -57.122 1.00 81.33 ? 143 LYS C NZ 1 ATOM 6499 N N . HIS C 1 77 ? -13.890 59.657 -56.266 1.00 35.50 ? 144 HIS C N 1 ATOM 6500 C CA . HIS C 1 77 ? -12.585 59.791 -55.625 1.00 36.76 ? 144 HIS C CA 1 ATOM 6501 C C . HIS C 1 77 ? -11.439 60.269 -56.535 1.00 35.89 ? 144 HIS C C 1 ATOM 6502 O O . HIS C 1 77 ? -10.334 60.489 -56.046 1.00 36.11 ? 144 HIS C O 1 ATOM 6503 C CB . HIS C 1 77 ? -12.165 58.464 -54.965 1.00 39.85 ? 144 HIS C CB 1 ATOM 6504 C CG . HIS C 1 77 ? -13.106 58.009 -53.893 1.00 39.03 ? 144 HIS C CG 1 ATOM 6505 N ND1 . HIS C 1 77 ? -14.165 57.179 -54.160 1.00 40.48 ? 144 HIS C ND1 1 ATOM 6506 C CD2 . HIS C 1 77 ? -13.146 58.257 -52.560 1.00 35.77 ? 144 HIS C CD2 1 ATOM 6507 C CE1 . HIS C 1 77 ? -14.846 56.961 -53.048 1.00 40.39 ? 144 HIS C CE1 1 ATOM 6508 N NE2 . HIS C 1 77 ? -14.230 57.583 -52.058 1.00 40.07 ? 144 HIS C NE2 1 ATOM 6509 N N . SER C 1 78 ? -11.680 60.415 -57.836 1.00 34.65 ? 145 SER C N 1 ATOM 6510 C CA . SER C 1 78 ? -10.632 60.932 -58.749 1.00 35.53 ? 145 SER C CA 1 ATOM 6511 C C . SER C 1 78 ? -10.445 62.428 -58.551 1.00 35.57 ? 145 SER C C 1 ATOM 6512 O O . SER C 1 78 ? -9.452 62.989 -59.023 1.00 38.68 ? 145 SER C O 1 ATOM 6513 C CB . SER C 1 78 ? -10.987 60.656 -60.221 1.00 38.34 ? 145 SER C CB 1 ATOM 6514 O OG . SER C 1 78 ? -12.095 61.448 -60.631 1.00 34.25 ? 145 SER C OG 1 ATOM 6515 N N . ASN C 1 79 ? -11.395 63.068 -57.854 1.00 34.50 ? 146 ASN C N 1 ATOM 6516 C CA . ASN C 1 79 ? -11.312 64.495 -57.542 1.00 39.33 ? 146 ASN C CA 1 ATOM 6517 C C . ASN C 1 79 ? -10.095 64.813 -56.652 1.00 43.16 ? 146 ASN C C 1 ATOM 6518 O O . ASN C 1 79 ? -9.911 64.203 -55.656 1.00 47.33 ? 146 ASN C O 1 ATOM 6519 C CB . ASN C 1 79 ? -12.575 64.923 -56.824 1.00 42.15 ? 146 ASN C CB 1 ATOM 6520 C CG . ASN C 1 79 ? -12.759 66.428 -56.753 1.00 49.25 ? 146 ASN C CG 1 ATOM 6521 O OD1 . ASN C 1 79 ? -11.830 67.215 -56.963 1.00 48.49 ? 146 ASN C OD1 1 ATOM 6522 N ND2 . ASN C 1 79 ? -14.001 66.844 -56.437 1.00 60.43 ? 146 ASN C ND2 1 ATOM 6523 N N . GLY C 1 80 ? -9.225 65.703 -57.071 1.00 44.97 ? 147 GLY C N 1 ATOM 6524 C CA . GLY C 1 80 ? -8.101 66.088 -56.252 1.00 41.90 ? 147 GLY C CA 1 ATOM 6525 C C . GLY C 1 80 ? -6.858 65.253 -56.430 1.00 44.38 ? 147 GLY C C 1 ATOM 6526 O O . GLY C 1 80 ? -5.896 65.400 -55.675 1.00 51.61 ? 147 GLY C O 1 ATOM 6527 N N . THR C 1 81 ? -6.824 64.437 -57.459 1.00 42.66 ? 148 THR C N 1 ATOM 6528 C CA . THR C 1 81 ? -5.667 63.561 -57.745 1.00 42.67 ? 148 THR C CA 1 ATOM 6529 C C . THR C 1 81 ? -4.418 64.224 -58.322 1.00 40.90 ? 148 THR C C 1 ATOM 6530 O O . THR C 1 81 ? -3.401 63.559 -58.571 1.00 45.66 ? 148 THR C O 1 ATOM 6531 C CB . THR C 1 81 ? -6.079 62.346 -58.602 1.00 42.71 ? 148 THR C CB 1 ATOM 6532 O OG1 . THR C 1 81 ? -6.874 62.767 -59.713 1.00 36.27 ? 148 THR C OG1 1 ATOM 6533 C CG2 . THR C 1 81 ? -6.914 61.415 -57.718 1.00 40.78 ? 148 THR C CG2 1 ATOM 6534 N N . ILE C 1 82 ? -4.415 65.545 -58.403 1.00 42.96 ? 149 ILE C N 1 ATOM 6535 C CA . ILE C 1 82 ? -3.135 66.284 -58.604 1.00 40.01 ? 149 ILE C CA 1 ATOM 6536 C C . ILE C 1 82 ? -2.118 66.124 -57.434 1.00 43.31 ? 149 ILE C C 1 ATOM 6537 O O . ILE C 1 82 ? -0.906 66.176 -57.646 1.00 39.81 ? 149 ILE C O 1 ATOM 6538 C CB . ILE C 1 82 ? -3.381 67.788 -58.843 1.00 45.40 ? 149 ILE C CB 1 ATOM 6539 C CG1 . ILE C 1 82 ? -2.091 68.457 -59.351 1.00 50.42 ? 149 ILE C CG1 1 ATOM 6540 C CG2 . ILE C 1 82 ? -3.952 68.495 -57.597 1.00 39.63 ? 149 ILE C CG2 1 ATOM 6541 C CD1 . ILE C 1 82 ? -2.330 69.838 -59.926 1.00 51.64 ? 149 ILE C CD1 1 ATOM 6542 N N . HIS C 1 83 ? -2.608 65.963 -56.208 1.00 37.75 ? 150 HIS C N 1 ATOM 6543 C CA . HIS C 1 83 ? -1.703 65.793 -55.043 1.00 42.38 ? 150 HIS C CA 1 ATOM 6544 C C . HIS C 1 83 ? -0.883 64.512 -55.215 1.00 44.21 ? 150 HIS C C 1 ATOM 6545 O O . HIS C 1 83 ? -1.424 63.486 -55.616 1.00 53.58 ? 150 HIS C O 1 ATOM 6546 C CB . HIS C 1 83 ? -2.484 65.858 -53.711 1.00 41.44 ? 150 HIS C CB 1 ATOM 6547 C CG . HIS C 1 83 ? -3.165 67.181 -53.529 1.00 57.92 ? 150 HIS C CG 1 ATOM 6548 N ND1 . HIS C 1 83 ? -2.470 68.381 -53.516 1.00 61.47 ? 150 HIS C ND1 1 ATOM 6549 C CD2 . HIS C 1 83 ? -4.481 67.515 -53.493 1.00 63.73 ? 150 HIS C CD2 1 ATOM 6550 C CE1 . HIS C 1 83 ? -3.318 69.387 -53.421 1.00 63.15 ? 150 HIS C CE1 1 ATOM 6551 N NE2 . HIS C 1 83 ? -4.545 68.889 -53.407 1.00 74.97 ? 150 HIS C NE2 1 ATOM 6552 N N . ASP C 1 84 ? 0.395 64.609 -54.900 1.00 38.86 ? 151 ASP C N 1 ATOM 6553 C CA . ASP C 1 84 ? 1.325 63.540 -55.087 1.00 43.97 ? 151 ASP C CA 1 ATOM 6554 C C . ASP C 1 84 ? 1.326 62.480 -53.996 1.00 41.23 ? 151 ASP C C 1 ATOM 6555 O O . ASP C 1 84 ? 1.693 61.347 -54.249 1.00 38.39 ? 151 ASP C O 1 ATOM 6556 C CB . ASP C 1 84 ? 2.759 64.067 -55.173 1.00 49.90 ? 151 ASP C CB 1 ATOM 6557 C CG . ASP C 1 84 ? 3.046 64.924 -56.398 1.00 51.04 ? 151 ASP C CG 1 ATOM 6558 O OD1 . ASP C 1 84 ? 2.375 64.834 -57.443 1.00 60.86 ? 151 ASP C OD1 1 ATOM 6559 O OD2 . ASP C 1 84 ? 3.984 65.733 -56.307 1.00 63.38 ? 151 ASP C OD2 1 ATOM 6560 N N . ARG C 1 85 ? 0.954 62.822 -52.780 1.00 41.30 ? 152 ARG C N 1 ATOM 6561 C CA . ARG C 1 85 ? 1.218 61.917 -51.656 1.00 39.73 ? 152 ARG C CA 1 ATOM 6562 C C . ARG C 1 85 ? 0.047 61.702 -50.749 1.00 41.80 ? 152 ARG C C 1 ATOM 6563 O O . ARG C 1 85 ? -0.251 62.519 -49.913 1.00 42.63 ? 152 ARG C O 1 ATOM 6564 C CB . ARG C 1 85 ? 2.428 62.377 -50.855 1.00 38.99 ? 152 ARG C CB 1 ATOM 6565 C CG . ARG C 1 85 ? 3.689 62.336 -51.708 1.00 38.58 ? 152 ARG C CG 1 ATOM 6566 C CD . ARG C 1 85 ? 4.948 62.711 -50.940 1.00 39.77 ? 152 ARG C CD 1 ATOM 6567 N NE . ARG C 1 85 ? 4.768 64.009 -50.344 1.00 37.08 ? 152 ARG C NE 1 ATOM 6568 C CZ . ARG C 1 85 ? 4.943 65.157 -50.977 1.00 42.15 ? 152 ARG C CZ 1 ATOM 6569 N NH1 . ARG C 1 85 ? 5.311 65.195 -52.255 1.00 43.78 ? 152 ARG C NH1 1 ATOM 6570 N NH2 . ARG C 1 85 ? 4.717 66.281 -50.331 1.00 41.36 ? 152 ARG C NH2 1 ATOM 6571 N N . ILE C 1 86 ? -0.645 60.593 -50.959 1.00 42.98 ? 153 ILE C N 1 ATOM 6572 C CA . ILE C 1 86 ? -1.699 60.169 -50.056 1.00 38.89 ? 153 ILE C CA 1 ATOM 6573 C C . ILE C 1 86 ? -1.421 58.711 -49.682 1.00 38.51 ? 153 ILE C C 1 ATOM 6574 O O . ILE C 1 86 ? -0.713 57.981 -50.397 1.00 40.31 ? 153 ILE C O 1 ATOM 6575 C CB . ILE C 1 86 ? -3.109 60.342 -50.698 1.00 39.49 ? 153 ILE C CB 1 ATOM 6576 C CG1 . ILE C 1 86 ? -3.260 59.557 -52.022 1.00 37.63 ? 153 ILE C CG1 1 ATOM 6577 C CG2 . ILE C 1 86 ? -3.409 61.794 -50.960 1.00 37.65 ? 153 ILE C CG2 1 ATOM 6578 C CD1 . ILE C 1 86 ? -4.713 59.479 -52.546 1.00 35.99 ? 153 ILE C CD1 1 ATOM 6579 N N . PRO C 1 87 ? -2.039 58.239 -48.609 1.00 38.92 ? 154 PRO C N 1 ATOM 6580 C CA . PRO C 1 87 ? -1.793 56.849 -48.175 1.00 39.66 ? 154 PRO C CA 1 ATOM 6581 C C . PRO C 1 87 ? -2.340 55.800 -49.100 1.00 39.35 ? 154 PRO C C 1 ATOM 6582 O O . PRO C 1 87 ? -1.985 54.638 -48.977 1.00 35.23 ? 154 PRO C O 1 ATOM 6583 C CB . PRO C 1 87 ? -2.525 56.765 -46.794 1.00 42.43 ? 154 PRO C CB 1 ATOM 6584 C CG . PRO C 1 87 ? -2.877 58.179 -46.422 1.00 40.80 ? 154 PRO C CG 1 ATOM 6585 C CD . PRO C 1 87 ? -2.954 58.963 -47.689 1.00 40.89 ? 154 PRO C CD 1 ATOM 6586 N N . HIS C 1 88 ? -3.262 56.184 -49.978 1.00 37.89 ? 155 HIS C N 1 ATOM 6587 C CA . HIS C 1 88 ? -3.906 55.212 -50.859 1.00 37.27 ? 155 HIS C CA 1 ATOM 6588 C C . HIS C 1 88 ? -3.120 54.939 -52.133 1.00 36.43 ? 155 HIS C C 1 ATOM 6589 O O . HIS C 1 88 ? -3.556 54.115 -52.915 1.00 36.69 ? 155 HIS C O 1 ATOM 6590 C CB . HIS C 1 88 ? -5.326 55.646 -51.135 1.00 39.90 ? 155 HIS C CB 1 ATOM 6591 C CG . HIS C 1 88 ? -5.985 56.122 -49.899 1.00 45.58 ? 155 HIS C CG 1 ATOM 6592 N ND1 . HIS C 1 88 ? -6.114 55.312 -48.801 1.00 45.43 ? 155 HIS C ND1 1 ATOM 6593 C CD2 . HIS C 1 88 ? -6.380 57.353 -49.509 1.00 45.30 ? 155 HIS C CD2 1 ATOM 6594 C CE1 . HIS C 1 88 ? -6.598 56.012 -47.795 1.00 44.97 ? 155 HIS C CE1 1 ATOM 6595 N NE2 . HIS C 1 88 ? -6.770 57.251 -48.201 1.00 45.56 ? 155 HIS C NE2 1 ATOM 6596 N N . ARG C 1 89 ? -1.986 55.621 -52.342 1.00 32.98 ? 156 ARG C N 1 ATOM 6597 C CA . ARG C 1 89 ? -1.226 55.348 -53.550 1.00 34.70 ? 156 ARG C CA 1 ATOM 6598 C C . ARG C 1 89 ? -0.522 53.994 -53.426 1.00 34.27 ? 156 ARG C C 1 ATOM 6599 O O . ARG C 1 89 ? 0.105 53.713 -52.414 1.00 37.32 ? 156 ARG C O 1 ATOM 6600 C CB . ARG C 1 89 ? -0.206 56.433 -53.846 1.00 32.83 ? 156 ARG C CB 1 ATOM 6601 C CG . ARG C 1 89 ? -0.893 57.757 -54.067 1.00 37.02 ? 156 ARG C CG 1 ATOM 6602 C CD . ARG C 1 89 ? -0.055 58.690 -54.939 1.00 39.77 ? 156 ARG C CD 1 ATOM 6603 N NE . ARG C 1 89 ? -0.073 58.369 -56.364 1.00 37.28 ? 156 ARG C NE 1 ATOM 6604 C CZ . ARG C 1 89 ? 0.520 59.115 -57.287 1.00 42.07 ? 156 ARG C CZ 1 ATOM 6605 N NH1 . ARG C 1 89 ? 1.220 60.172 -56.907 1.00 39.54 ? 156 ARG C NH1 1 ATOM 6606 N NH2 . ARG C 1 89 ? 0.464 58.805 -58.607 1.00 40.12 ? 156 ARG C NH2 1 ATOM 6607 N N . THR C 1 90 ? -0.618 53.189 -54.488 1.00 33.98 ? 157 THR C N 1 ATOM 6608 C CA . THR C 1 90 ? -0.016 51.880 -54.565 1.00 32.61 ? 157 THR C CA 1 ATOM 6609 C C . THR C 1 90 ? 0.714 51.748 -55.901 1.00 34.93 ? 157 THR C C 1 ATOM 6610 O O . THR C 1 90 ? 0.336 52.353 -56.895 1.00 36.72 ? 157 THR C O 1 ATOM 6611 C CB . THR C 1 90 ? -1.071 50.757 -54.445 1.00 32.87 ? 157 THR C CB 1 ATOM 6612 O OG1 . THR C 1 90 ? -2.134 50.903 -55.422 1.00 35.45 ? 157 THR C OG1 1 ATOM 6613 C CG2 . THR C 1 90 ? -1.703 50.760 -53.053 1.00 35.00 ? 157 THR C CG2 1 ATOM 6614 N N . LEU C 1 91 ? 1.724 50.903 -55.933 1.00 34.52 ? 158 LEU C N 1 ATOM 6615 C CA . LEU C 1 91 ? 2.414 50.620 -57.150 1.00 31.33 ? 158 LEU C CA 1 ATOM 6616 C C . LEU C 1 91 ? 1.659 49.573 -57.999 1.00 35.64 ? 158 LEU C C 1 ATOM 6617 O O . LEU C 1 91 ? 1.497 48.428 -57.584 1.00 37.44 ? 158 LEU C O 1 ATOM 6618 C CB . LEU C 1 91 ? 3.823 50.114 -56.826 1.00 29.59 ? 158 LEU C CB 1 ATOM 6619 C CG . LEU C 1 91 ? 4.681 49.724 -58.090 1.00 30.87 ? 158 LEU C CG 1 ATOM 6620 C CD1 . LEU C 1 91 ? 4.814 50.833 -59.112 1.00 31.79 ? 158 LEU C CD1 1 ATOM 6621 C CD2 . LEU C 1 91 ? 6.039 49.217 -57.638 1.00 29.71 ? 158 LEU C CD2 1 ATOM 6622 N N . LEU C 1 92 ? 1.232 49.981 -59.195 1.00 38.61 ? 159 LEU C N 1 ATOM 6623 C CA . LEU C 1 92 ? 0.544 49.091 -60.152 1.00 35.91 ? 159 LEU C CA 1 ATOM 6624 C C . LEU C 1 92 ? 1.529 48.432 -61.114 1.00 36.54 ? 159 LEU C C 1 ATOM 6625 O O . LEU C 1 92 ? 2.451 49.076 -61.587 1.00 32.67 ? 159 LEU C O 1 ATOM 6626 C CB . LEU C 1 92 ? -0.451 49.868 -60.970 1.00 35.14 ? 159 LEU C CB 1 ATOM 6627 C CG . LEU C 1 92 ? -1.491 50.691 -60.177 1.00 35.81 ? 159 LEU C CG 1 ATOM 6628 C CD1 . LEU C 1 92 ? -2.333 51.545 -61.079 1.00 34.51 ? 159 LEU C CD1 1 ATOM 6629 C CD2 . LEU C 1 92 ? -2.416 49.822 -59.329 1.00 39.14 ? 159 LEU C CD2 1 ATOM 6630 N N . MET C 1 93 ? 1.291 47.154 -61.403 1.00 37.50 ? 160 MET C N 1 ATOM 6631 C CA . MET C 1 93 ? 2.125 46.379 -62.291 1.00 37.21 ? 160 MET C CA 1 ATOM 6632 C C . MET C 1 93 ? 1.257 45.592 -63.272 1.00 38.07 ? 160 MET C C 1 ATOM 6633 O O . MET C 1 93 ? 0.417 44.821 -62.879 1.00 39.01 ? 160 MET C O 1 ATOM 6634 C CB . MET C 1 93 ? 2.988 45.451 -61.492 1.00 35.33 ? 160 MET C CB 1 ATOM 6635 C CG . MET C 1 93 ? 3.925 44.549 -62.288 1.00 38.83 ? 160 MET C CG 1 ATOM 6636 S SD . MET C 1 93 ? 4.936 43.498 -61.144 1.00 40.71 ? 160 MET C SD 1 ATOM 6637 C CE . MET C 1 93 ? 5.991 42.723 -62.378 1.00 39.47 ? 160 MET C CE 1 ATOM 6638 N N . SER C 1 94 ? 1.507 45.773 -64.560 1.00 36.60 ? 161 SER C N 1 ATOM 6639 C CA . SER C 1 94 ? 0.735 45.071 -65.590 1.00 37.98 ? 161 SER C CA 1 ATOM 6640 C C . SER C 1 94 ? 1.610 44.763 -66.782 1.00 33.59 ? 161 SER C C 1 ATOM 6641 O O . SER C 1 94 ? 2.581 45.463 -67.034 1.00 36.14 ? 161 SER C O 1 ATOM 6642 C CB . SER C 1 94 ? -0.413 45.991 -65.971 1.00 39.07 ? 161 SER C CB 1 ATOM 6643 O OG . SER C 1 94 ? -0.905 45.796 -67.256 1.00 41.76 ? 161 SER C OG 1 ATOM 6644 N N . GLU C 1 95 ? 1.293 43.721 -67.519 1.00 34.16 ? 162 GLU C N 1 ATOM 6645 C CA . GLU C 1 95 ? 2.095 43.413 -68.709 1.00 38.68 ? 162 GLU C CA 1 ATOM 6646 C C . GLU C 1 95 ? 2.038 44.592 -69.639 1.00 36.70 ? 162 GLU C C 1 ATOM 6647 O O . GLU C 1 95 ? 0.985 45.216 -69.742 1.00 36.33 ? 162 GLU C O 1 ATOM 6648 C CB . GLU C 1 95 ? 1.606 42.207 -69.448 1.00 39.16 ? 162 GLU C CB 1 ATOM 6649 C CG . GLU C 1 95 ? 1.667 40.905 -68.649 1.00 54.50 ? 162 GLU C CG 1 ATOM 6650 C CD . GLU C 1 95 ? 1.383 39.633 -69.483 1.00 63.60 ? 162 GLU C CD 1 ATOM 6651 O OE1 . GLU C 1 95 ? 1.367 39.681 -70.749 1.00 74.25 ? 162 GLU C OE1 1 ATOM 6652 O OE2 . GLU C 1 95 ? 1.198 38.572 -68.846 1.00 82.60 ? 162 GLU C OE2 1 ATOM 6653 N N . LEU C 1 96 ? 3.163 44.918 -70.277 1.00 31.50 ? 163 LEU C N 1 ATOM 6654 C CA . LEU C 1 96 ? 3.211 46.065 -71.201 1.00 33.59 ? 163 LEU C CA 1 ATOM 6655 C C . LEU C 1 96 ? 2.160 45.939 -72.314 1.00 33.36 ? 163 LEU C C 1 ATOM 6656 O O . LEU C 1 96 ? 2.037 44.891 -72.931 1.00 34.24 ? 163 LEU C O 1 ATOM 6657 C CB . LEU C 1 96 ? 4.567 46.141 -71.849 1.00 37.84 ? 163 LEU C CB 1 ATOM 6658 C CG . LEU C 1 96 ? 4.794 47.357 -72.747 1.00 42.12 ? 163 LEU C CG 1 ATOM 6659 C CD1 . LEU C 1 96 ? 4.778 48.663 -71.935 1.00 40.87 ? 163 LEU C CD1 1 ATOM 6660 C CD2 . LEU C 1 96 ? 6.132 47.244 -73.472 1.00 41.93 ? 163 LEU C CD2 1 ATOM 6661 N N . GLY C 1 97 ? 1.361 46.972 -72.475 1.00 32.21 ? 164 GLY C N 1 ATOM 6662 C CA . GLY C 1 97 ? 0.245 46.989 -73.400 1.00 33.56 ? 164 GLY C CA 1 ATOM 6663 C C . GLY C 1 97 ? -1.117 46.634 -72.811 1.00 36.37 ? 164 GLY C C 1 ATOM 6664 O O . GLY C 1 97 ? -2.163 46.822 -73.501 1.00 38.74 ? 164 GLY C O 1 ATOM 6665 N N . VAL C 1 98 ? -1.131 46.029 -71.614 1.00 32.71 ? 165 VAL C N 1 ATOM 6666 C CA . VAL C 1 98 ? -2.390 45.729 -70.951 1.00 34.96 ? 165 VAL C CA 1 ATOM 6667 C C . VAL C 1 98 ? -2.667 46.946 -70.091 1.00 35.17 ? 165 VAL C C 1 ATOM 6668 O O . VAL C 1 98 ? -1.919 47.249 -69.168 1.00 33.63 ? 165 VAL C O 1 ATOM 6669 C CB . VAL C 1 98 ? -2.327 44.454 -70.076 1.00 36.94 ? 165 VAL C CB 1 ATOM 6670 C CG1 . VAL C 1 98 ? -3.586 44.279 -69.264 1.00 35.49 ? 165 VAL C CG1 1 ATOM 6671 C CG2 . VAL C 1 98 ? -2.100 43.223 -70.949 1.00 36.37 ? 165 VAL C CG2 1 ATOM 6672 N N . PRO C 1 99 ? -3.724 47.696 -70.405 1.00 38.24 ? 166 PRO C N 1 ATOM 6673 C CA . PRO C 1 99 ? -4.029 48.867 -69.583 1.00 37.65 ? 166 PRO C CA 1 ATOM 6674 C C . PRO C 1 99 ? -4.301 48.569 -68.093 1.00 38.38 ? 166 PRO C C 1 ATOM 6675 O O . PRO C 1 99 ? -4.547 47.428 -67.701 1.00 41.61 ? 166 PRO C O 1 ATOM 6676 C CB . PRO C 1 99 ? -5.286 49.450 -70.227 1.00 38.66 ? 166 PRO C CB 1 ATOM 6677 C CG . PRO C 1 99 ? -5.715 48.509 -71.275 1.00 40.10 ? 166 PRO C CG 1 ATOM 6678 C CD . PRO C 1 99 ? -4.773 47.372 -71.371 1.00 37.85 ? 166 PRO C CD 1 ATOM 6679 N N . PHE C 1 100 ? -4.304 49.614 -67.272 1.00 39.08 ? 167 PHE C N 1 ATOM 6680 C CA . PHE C 1 100 ? -4.457 49.470 -65.828 1.00 38.21 ? 167 PHE C CA 1 ATOM 6681 C C . PHE C 1 100 ? -5.960 49.414 -65.508 1.00 37.51 ? 167 PHE C C 1 ATOM 6682 O O . PHE C 1 100 ? -6.550 50.396 -65.163 1.00 38.14 ? 167 PHE C O 1 ATOM 6683 C CB . PHE C 1 100 ? -3.778 50.593 -65.067 1.00 36.59 ? 167 PHE C CB 1 ATOM 6684 C CG . PHE C 1 100 ? -2.261 50.622 -65.176 1.00 36.39 ? 167 PHE C CG 1 ATOM 6685 C CD1 . PHE C 1 100 ? -1.490 49.580 -64.734 1.00 36.12 ? 167 PHE C CD1 1 ATOM 6686 C CD2 . PHE C 1 100 ? -1.614 51.762 -65.689 1.00 38.66 ? 167 PHE C CD2 1 ATOM 6687 C CE1 . PHE C 1 100 ? -0.100 49.629 -64.817 1.00 36.93 ? 167 PHE C CE1 1 ATOM 6688 C CE2 . PHE C 1 100 ? -0.226 51.831 -65.792 1.00 40.61 ? 167 PHE C CE2 1 ATOM 6689 C CZ . PHE C 1 100 ? 0.544 50.748 -65.339 1.00 41.22 ? 167 PHE C CZ 1 ATOM 6690 N N . HIS C 1 101 ? -6.534 48.234 -65.666 1.00 36.43 ? 168 HIS C N 1 ATOM 6691 C CA . HIS C 1 101 ? -7.925 47.941 -65.400 1.00 39.54 ? 168 HIS C CA 1 ATOM 6692 C C . HIS C 1 101 ? -8.082 47.346 -63.984 1.00 41.73 ? 168 HIS C C 1 ATOM 6693 O O . HIS C 1 101 ? -7.099 47.228 -63.253 1.00 41.33 ? 168 HIS C O 1 ATOM 6694 C CB . HIS C 1 101 ? -8.453 46.971 -66.491 1.00 43.81 ? 168 HIS C CB 1 ATOM 6695 C CG . HIS C 1 101 ? -7.746 45.660 -66.527 1.00 45.62 ? 168 HIS C CG 1 ATOM 6696 N ND1 . HIS C 1 101 ? -8.108 44.610 -65.737 1.00 48.65 ? 168 HIS C ND1 1 ATOM 6697 C CD2 . HIS C 1 101 ? -6.639 45.253 -67.180 1.00 52.63 ? 168 HIS C CD2 1 ATOM 6698 C CE1 . HIS C 1 101 ? -7.288 43.593 -65.924 1.00 39.06 ? 168 HIS C CE1 1 ATOM 6699 N NE2 . HIS C 1 101 ? -6.386 43.958 -66.791 1.00 42.41 ? 168 HIS C NE2 1 ATOM 6700 N N . LEU C 1 102 ? -9.295 46.975 -63.589 1.00 40.72 ? 169 LEU C N 1 ATOM 6701 C CA . LEU C 1 102 ? -9.540 46.498 -62.217 1.00 41.99 ? 169 LEU C CA 1 ATOM 6702 C C . LEU C 1 102 ? -8.870 45.178 -61.786 1.00 40.47 ? 169 LEU C C 1 ATOM 6703 O O . LEU C 1 102 ? -8.804 44.886 -60.619 1.00 42.06 ? 169 LEU C O 1 ATOM 6704 C CB . LEU C 1 102 ? -11.042 46.374 -61.925 1.00 45.68 ? 169 LEU C CB 1 ATOM 6705 C CG . LEU C 1 102 ? -11.745 47.680 -61.669 1.00 46.65 ? 169 LEU C CG 1 ATOM 6706 C CD1 . LEU C 1 102 ? -13.223 47.446 -61.493 1.00 52.79 ? 169 LEU C CD1 1 ATOM 6707 C CD2 . LEU C 1 102 ? -11.198 48.383 -60.456 1.00 46.30 ? 169 LEU C CD2 1 ATOM 6708 N N . GLY C 1 103 ? -8.421 44.369 -62.718 1.00 39.83 ? 170 GLY C N 1 ATOM 6709 C CA . GLY C 1 103 ? -7.635 43.177 -62.366 1.00 40.83 ? 170 GLY C CA 1 ATOM 6710 C C . GLY C 1 103 ? -6.141 43.411 -62.174 1.00 42.07 ? 170 GLY C C 1 ATOM 6711 O O . GLY C 1 103 ? -5.395 42.483 -61.975 1.00 41.45 ? 170 GLY C O 1 ATOM 6712 N N . THR C 1 104 ? -5.719 44.659 -62.245 1.00 41.91 ? 171 THR C N 1 ATOM 6713 C CA . THR C 1 104 ? -4.341 45.002 -62.095 1.00 40.77 ? 171 THR C CA 1 ATOM 6714 C C . THR C 1 104 ? -3.885 44.785 -60.642 1.00 42.87 ? 171 THR C C 1 ATOM 6715 O O . THR C 1 104 ? -4.588 45.132 -59.661 1.00 40.91 ? 171 THR C O 1 ATOM 6716 C CB . THR C 1 104 ? -4.110 46.467 -62.446 1.00 44.47 ? 171 THR C CB 1 ATOM 6717 O OG1 . THR C 1 104 ? -4.517 46.732 -63.806 1.00 41.24 ? 171 THR C OG1 1 ATOM 6718 C CG2 . THR C 1 104 ? -2.642 46.812 -62.309 1.00 45.78 ? 171 THR C CG2 1 ATOM 6719 N N . LYS C 1 105 ? -2.714 44.181 -60.533 1.00 37.95 ? 172 LYS C N 1 ATOM 6720 C CA . LYS C 1 105 ? -2.096 43.918 -59.264 1.00 43.44 ? 172 LYS C CA 1 ATOM 6721 C C . LYS C 1 105 ? -1.460 45.195 -58.639 1.00 42.50 ? 172 LYS C C 1 ATOM 6722 O O . LYS C 1 105 ? -0.713 45.905 -59.298 1.00 40.16 ? 172 LYS C O 1 ATOM 6723 C CB . LYS C 1 105 ? -1.039 42.839 -59.419 1.00 42.18 ? 172 LYS C CB 1 ATOM 6724 C CG . LYS C 1 105 ? -0.414 42.475 -58.094 1.00 51.80 ? 172 LYS C CG 1 ATOM 6725 C CD . LYS C 1 105 ? 0.426 41.227 -58.205 1.00 58.18 ? 172 LYS C CD 1 ATOM 6726 C CE . LYS C 1 105 ? 0.884 40.747 -56.830 1.00 69.80 ? 172 LYS C CE 1 ATOM 6727 N NZ . LYS C 1 105 ? 0.651 39.270 -56.743 1.00 85.59 ? 172 LYS C NZ 1 ATOM 6728 N N . GLN C 1 106 ? -1.828 45.462 -57.390 1.00 39.16 ? 173 GLN C N 1 ATOM 6729 C CA . GLN C 1 106 ? -1.190 46.485 -56.566 1.00 41.79 ? 173 GLN C CA 1 ATOM 6730 C C . GLN C 1 106 ? -0.101 45.787 -55.772 1.00 40.62 ? 173 GLN C C 1 ATOM 6731 O O . GLN C 1 106 ? -0.350 45.036 -54.847 1.00 45.68 ? 173 GLN C O 1 ATOM 6732 C CB . GLN C 1 106 ? -2.161 47.131 -55.609 1.00 38.29 ? 173 GLN C CB 1 ATOM 6733 C CG . GLN C 1 106 ? -3.303 47.780 -56.305 1.00 41.84 ? 173 GLN C CG 1 ATOM 6734 C CD . GLN C 1 106 ? -4.374 48.255 -55.337 1.00 44.90 ? 173 GLN C CD 1 ATOM 6735 O OE1 . GLN C 1 106 ? -4.297 49.358 -54.816 1.00 36.68 ? 173 GLN C OE1 1 ATOM 6736 N NE2 . GLN C 1 106 ? -5.373 47.418 -55.109 1.00 41.03 ? 173 GLN C NE2 1 ATOM 6737 N N . VAL C 1 107 ? 1.109 46.046 -56.155 1.00 36.99 ? 174 VAL C N 1 ATOM 6738 C CA . VAL C 1 107 ? 2.249 45.266 -55.724 1.00 37.20 ? 174 VAL C CA 1 ATOM 6739 C C . VAL C 1 107 ? 2.753 45.729 -54.339 1.00 38.05 ? 174 VAL C C 1 ATOM 6740 O O . VAL C 1 107 ? 3.391 44.966 -53.632 1.00 40.55 ? 174 VAL C O 1 ATOM 6741 C CB . VAL C 1 107 ? 3.284 45.386 -56.866 1.00 44.69 ? 174 VAL C CB 1 ATOM 6742 C CG1 . VAL C 1 107 ? 4.665 45.617 -56.385 1.00 46.42 ? 174 VAL C CG1 1 ATOM 6743 C CG2 . VAL C 1 107 ? 3.213 44.163 -57.754 1.00 44.38 ? 174 VAL C CG2 1 ATOM 6744 N N . CYS C 1 108 ? 2.523 46.989 -53.960 1.00 37.29 ? 175 CYS C N 1 ATOM 6745 C CA . CYS C 1 108 ? 2.954 47.501 -52.646 1.00 38.81 ? 175 CYS C CA 1 ATOM 6746 C C . CYS C 1 108 ? 2.389 48.909 -52.496 1.00 39.44 ? 175 CYS C C 1 ATOM 6747 O O . CYS C 1 108 ? 1.763 49.407 -53.409 1.00 38.07 ? 175 CYS C O 1 ATOM 6748 C CB . CYS C 1 108 ? 4.474 47.551 -52.523 1.00 43.72 ? 175 CYS C CB 1 ATOM 6749 S SG . CYS C 1 108 ? 5.089 48.734 -53.731 1.00 53.48 ? 175 CYS C SG 1 ATOM 6750 N N . ILE C 1 109 ? 2.521 49.488 -51.297 1.00 36.50 ? 176 ILE C N 1 ATOM 6751 C CA . ILE C 1 109 ? 1.935 50.769 -50.970 1.00 35.28 ? 176 ILE C CA 1 ATOM 6752 C C . ILE C 1 109 ? 3.001 51.794 -51.261 1.00 32.98 ? 176 ILE C C 1 ATOM 6753 O O . ILE C 1 109 ? 4.084 51.634 -50.793 1.00 34.68 ? 176 ILE C O 1 ATOM 6754 C CB . ILE C 1 109 ? 1.574 50.885 -49.456 1.00 35.54 ? 176 ILE C CB 1 ATOM 6755 C CG1 . ILE C 1 109 ? 0.678 49.751 -49.038 1.00 37.17 ? 176 ILE C CG1 1 ATOM 6756 C CG2 . ILE C 1 109 ? 0.861 52.214 -49.192 1.00 39.70 ? 176 ILE C CG2 1 ATOM 6757 C CD1 . ILE C 1 109 ? 0.325 49.726 -47.571 1.00 40.51 ? 176 ILE C CD1 1 ATOM 6758 N N . ALA C 1 110 ? 2.720 52.805 -52.089 1.00 34.92 ? 177 ALA C N 1 ATOM 6759 C CA . ALA C 1 110 ? 3.796 53.693 -52.559 1.00 34.42 ? 177 ALA C CA 1 ATOM 6760 C C . ALA C 1 110 ? 3.299 54.967 -53.158 1.00 33.67 ? 177 ALA C C 1 ATOM 6761 O O . ALA C 1 110 ? 2.429 54.956 -54.005 1.00 36.50 ? 177 ALA C O 1 ATOM 6762 C CB . ALA C 1 110 ? 4.682 52.976 -53.587 1.00 34.38 ? 177 ALA C CB 1 ATOM 6763 N N . TRP C 1 111 ? 3.871 56.072 -52.689 1.00 34.45 ? 178 TRP C N 1 ATOM 6764 C CA . TRP C 1 111 ? 3.792 57.313 -53.410 1.00 32.53 ? 178 TRP C CA 1 ATOM 6765 C C . TRP C 1 111 ? 5.130 57.682 -54.079 1.00 33.85 ? 178 TRP C C 1 ATOM 6766 O O . TRP C 1 111 ? 5.241 58.746 -54.615 1.00 33.31 ? 178 TRP C O 1 ATOM 6767 C CB . TRP C 1 111 ? 3.174 58.433 -52.595 1.00 30.59 ? 178 TRP C CB 1 ATOM 6768 C CG . TRP C 1 111 ? 3.638 58.671 -51.199 1.00 33.97 ? 178 TRP C CG 1 ATOM 6769 C CD1 . TRP C 1 111 ? 2.867 58.591 -50.061 1.00 34.13 ? 178 TRP C CD1 1 ATOM 6770 C CD2 . TRP C 1 111 ? 4.911 59.150 -50.774 1.00 33.15 ? 178 TRP C CD2 1 ATOM 6771 N NE1 . TRP C 1 111 ? 3.595 58.930 -48.959 1.00 32.79 ? 178 TRP C NE1 1 ATOM 6772 C CE2 . TRP C 1 111 ? 4.857 59.273 -49.357 1.00 36.21 ? 178 TRP C CE2 1 ATOM 6773 C CE3 . TRP C 1 111 ? 6.103 59.480 -51.443 1.00 35.54 ? 178 TRP C CE3 1 ATOM 6774 C CZ2 . TRP C 1 111 ? 5.931 59.707 -48.609 1.00 33.21 ? 178 TRP C CZ2 1 ATOM 6775 C CZ3 . TRP C 1 111 ? 7.179 59.873 -50.694 1.00 36.14 ? 178 TRP C CZ3 1 ATOM 6776 C CH2 . TRP C 1 111 ? 7.080 60.006 -49.290 1.00 33.05 ? 178 TRP C CH2 1 ATOM 6777 N N . SER C 1 112 ? 6.127 56.790 -54.044 1.00 34.10 ? 179 SER C N 1 ATOM 6778 C CA . SER C 1 112 ? 7.336 56.919 -54.873 1.00 33.12 ? 179 SER C CA 1 ATOM 6779 C C . SER C 1 112 ? 7.881 55.524 -54.987 1.00 31.72 ? 179 SER C C 1 ATOM 6780 O O . SER C 1 112 ? 7.753 54.760 -54.044 1.00 33.35 ? 179 SER C O 1 ATOM 6781 C CB . SER C 1 112 ? 8.357 57.841 -54.218 1.00 37.77 ? 179 SER C CB 1 ATOM 6782 O OG . SER C 1 112 ? 9.540 57.951 -54.980 1.00 37.63 ? 179 SER C OG 1 ATOM 6783 N N . SER C 1 113 ? 8.455 55.159 -56.151 1.00 33.04 ? 180 SER C N 1 ATOM 6784 C CA . SER C 1 113 ? 8.894 53.779 -56.337 1.00 33.94 ? 180 SER C CA 1 ATOM 6785 C C . SER C 1 113 ? 9.937 53.568 -57.422 1.00 37.46 ? 180 SER C C 1 ATOM 6786 O O . SER C 1 113 ? 10.203 54.485 -58.212 1.00 38.37 ? 180 SER C O 1 ATOM 6787 C CB . SER C 1 113 ? 7.714 52.880 -56.707 1.00 38.04 ? 180 SER C CB 1 ATOM 6788 O OG . SER C 1 113 ? 7.396 53.007 -58.085 1.00 39.13 ? 180 SER C OG 1 ATOM 6789 N N . SER C 1 114 ? 10.518 52.354 -57.405 1.00 32.76 ? 181 SER C N 1 ATOM 6790 C CA . SER C 1 114 ? 11.434 51.879 -58.387 1.00 36.28 ? 181 SER C CA 1 ATOM 6791 C C . SER C 1 114 ? 11.363 50.356 -58.398 1.00 37.99 ? 181 SER C C 1 ATOM 6792 O O . SER C 1 114 ? 11.066 49.769 -57.390 1.00 36.55 ? 181 SER C O 1 ATOM 6793 C CB . SER C 1 114 ? 12.878 52.341 -58.082 1.00 34.94 ? 181 SER C CB 1 ATOM 6794 O OG . SER C 1 114 ? 13.818 51.785 -59.023 1.00 38.04 ? 181 SER C OG 1 ATOM 6795 N N . SER C 1 115 ? 11.518 49.726 -59.561 1.00 37.21 ? 182 SER C N 1 ATOM 6796 C CA . SER C 1 115 ? 11.428 48.240 -59.642 1.00 35.39 ? 182 SER C CA 1 ATOM 6797 C C . SER C 1 115 ? 12.469 47.686 -60.562 1.00 35.71 ? 182 SER C C 1 ATOM 6798 O O . SER C 1 115 ? 12.864 48.376 -61.524 1.00 36.43 ? 182 SER C O 1 ATOM 6799 C CB . SER C 1 115 ? 10.067 47.771 -60.150 1.00 35.85 ? 182 SER C CB 1 ATOM 6800 O OG . SER C 1 115 ? 9.024 48.228 -59.315 1.00 39.59 ? 182 SER C OG 1 ATOM 6801 N N . CYS C 1 116 ? 12.896 46.451 -60.318 1.00 33.35 ? 183 CYS C N 1 ATOM 6802 C CA . CYS C 1 116 ? 13.775 45.802 -61.255 1.00 36.03 ? 183 CYS C CA 1 ATOM 6803 C C . CYS C 1 116 ? 13.797 44.338 -60.961 1.00 37.65 ? 183 CYS C C 1 ATOM 6804 O O . CYS C 1 116 ? 13.428 43.909 -59.889 1.00 40.25 ? 183 CYS C O 1 ATOM 6805 C CB . CYS C 1 116 ? 15.196 46.384 -61.193 1.00 41.63 ? 183 CYS C CB 1 ATOM 6806 S SG . CYS C 1 116 ? 15.819 46.632 -59.500 1.00 47.08 ? 183 CYS C SG 1 ATOM 6807 N N . HIS C 1 117 ? 14.246 43.566 -61.954 1.00 36.29 ? 184 HIS C N 1 ATOM 6808 C CA . HIS C 1 117 ? 14.270 42.103 -61.888 1.00 36.27 ? 184 HIS C CA 1 ATOM 6809 C C . HIS C 1 117 ? 15.741 41.671 -61.972 1.00 38.76 ? 184 HIS C C 1 ATOM 6810 O O . HIS C 1 117 ? 16.470 42.198 -62.838 1.00 36.83 ? 184 HIS C O 1 ATOM 6811 C CB . HIS C 1 117 ? 13.479 41.525 -63.051 1.00 33.34 ? 184 HIS C CB 1 ATOM 6812 C CG . HIS C 1 117 ? 13.148 40.092 -62.878 1.00 36.12 ? 184 HIS C CG 1 ATOM 6813 N ND1 . HIS C 1 117 ? 14.062 39.083 -63.082 1.00 37.94 ? 184 HIS C ND1 1 ATOM 6814 C CD2 . HIS C 1 117 ? 12.001 39.487 -62.491 1.00 36.11 ? 184 HIS C CD2 1 ATOM 6815 C CE1 . HIS C 1 117 ? 13.504 37.920 -62.832 1.00 33.75 ? 184 HIS C CE1 1 ATOM 6816 N NE2 . HIS C 1 117 ? 12.258 38.138 -62.458 1.00 37.36 ? 184 HIS C NE2 1 ATOM 6817 N N . ASP C 1 118 ? 16.192 40.808 -61.049 1.00 36.50 ? 185 ASP C N 1 ATOM 6818 C CA . ASP C 1 118 ? 17.621 40.452 -60.951 1.00 37.68 ? 185 ASP C CA 1 ATOM 6819 C C . ASP C 1 118 ? 17.973 39.203 -61.734 1.00 37.69 ? 185 ASP C C 1 ATOM 6820 O O . ASP C 1 118 ? 19.092 38.692 -61.645 1.00 37.81 ? 185 ASP C O 1 ATOM 6821 C CB . ASP C 1 118 ? 18.088 40.320 -59.473 1.00 37.52 ? 185 ASP C CB 1 ATOM 6822 C CG . ASP C 1 118 ? 17.475 39.156 -58.759 1.00 40.50 ? 185 ASP C CG 1 ATOM 6823 O OD1 . ASP C 1 118 ? 16.715 38.388 -59.401 1.00 41.97 ? 185 ASP C OD1 1 ATOM 6824 O OD2 . ASP C 1 118 ? 17.744 39.020 -57.542 1.00 43.19 ? 185 ASP C OD2 1 ATOM 6825 N N . GLY C 1 119 ? 17.010 38.713 -62.493 1.00 37.63 ? 186 GLY C N 1 ATOM 6826 C CA . GLY C 1 119 ? 17.111 37.411 -63.176 1.00 39.88 ? 186 GLY C CA 1 ATOM 6827 C C . GLY C 1 119 ? 16.393 36.268 -62.484 1.00 41.72 ? 186 GLY C C 1 ATOM 6828 O O . GLY C 1 119 ? 16.052 35.290 -63.116 1.00 47.11 ? 186 GLY C O 1 ATOM 6829 N N . LYS C 1 120 ? 16.181 36.375 -61.180 1.00 44.31 ? 187 LYS C N 1 ATOM 6830 C CA . LYS C 1 120 ? 15.398 35.384 -60.429 1.00 48.48 ? 187 LYS C CA 1 ATOM 6831 C C . LYS C 1 120 ? 14.052 35.887 -59.964 1.00 45.00 ? 187 LYS C C 1 ATOM 6832 O O . LYS C 1 120 ? 13.103 35.130 -59.884 1.00 48.75 ? 187 LYS C O 1 ATOM 6833 C CB . LYS C 1 120 ? 16.156 34.960 -59.156 1.00 57.53 ? 187 LYS C CB 1 ATOM 6834 C CG . LYS C 1 120 ? 17.479 34.315 -59.455 1.00 62.75 ? 187 LYS C CG 1 ATOM 6835 C CD . LYS C 1 120 ? 18.119 33.624 -58.253 1.00 73.61 ? 187 LYS C CD 1 ATOM 6836 C CE . LYS C 1 120 ? 19.233 32.697 -58.762 1.00 83.34 ? 187 LYS C CE 1 ATOM 6837 N NZ . LYS C 1 120 ? 20.521 32.912 -58.053 1.00 87.86 ? 187 LYS C NZ 1 ATOM 6838 N N . ALA C 1 121 ? 13.994 37.153 -59.563 1.00 42.12 ? 188 ALA C N 1 ATOM 6839 C CA . ALA C 1 121 ? 12.804 37.723 -58.958 1.00 37.98 ? 188 ALA C CA 1 ATOM 6840 C C . ALA C 1 121 ? 12.755 39.239 -59.069 1.00 39.08 ? 188 ALA C C 1 ATOM 6841 O O . ALA C 1 121 ? 13.756 39.910 -59.329 1.00 38.87 ? 188 ALA C O 1 ATOM 6842 C CB . ALA C 1 121 ? 12.732 37.295 -57.486 1.00 39.05 ? 188 ALA C CB 1 ATOM 6843 N N . TRP C 1 122 ? 11.573 39.759 -58.810 1.00 39.50 ? 189 TRP C N 1 ATOM 6844 C CA . TRP C 1 122 ? 11.351 41.177 -58.773 1.00 37.99 ? 189 TRP C CA 1 ATOM 6845 C C . TRP C 1 122 ? 11.774 41.771 -57.439 1.00 37.22 ? 189 TRP C C 1 ATOM 6846 O O . TRP C 1 122 ? 11.470 41.221 -56.391 1.00 33.75 ? 189 TRP C O 1 ATOM 6847 C CB . TRP C 1 122 ? 9.855 41.462 -59.025 1.00 39.15 ? 189 TRP C CB 1 ATOM 6848 C CG . TRP C 1 122 ? 9.521 41.390 -60.504 1.00 40.34 ? 189 TRP C CG 1 ATOM 6849 C CD1 . TRP C 1 122 ? 8.896 40.372 -61.140 1.00 39.09 ? 189 TRP C CD1 1 ATOM 6850 C CD2 . TRP C 1 122 ? 9.863 42.346 -61.507 1.00 36.02 ? 189 TRP C CD2 1 ATOM 6851 N NE1 . TRP C 1 122 ? 8.835 40.621 -62.489 1.00 44.46 ? 189 TRP C NE1 1 ATOM 6852 C CE2 . TRP C 1 122 ? 9.432 41.823 -62.745 1.00 40.64 ? 189 TRP C CE2 1 ATOM 6853 C CE3 . TRP C 1 122 ? 10.546 43.548 -61.492 1.00 36.40 ? 189 TRP C CE3 1 ATOM 6854 C CZ2 . TRP C 1 122 ? 9.593 42.507 -63.964 1.00 39.91 ? 189 TRP C CZ2 1 ATOM 6855 C CZ3 . TRP C 1 122 ? 10.726 44.258 -62.708 1.00 38.11 ? 189 TRP C CZ3 1 ATOM 6856 C CH2 . TRP C 1 122 ? 10.238 43.733 -63.930 1.00 40.04 ? 189 TRP C CH2 1 ATOM 6857 N N . LEU C 1 123 ? 12.419 42.937 -57.509 1.00 35.90 ? 190 LEU C N 1 ATOM 6858 C CA . LEU C 1 123 ? 12.567 43.859 -56.393 1.00 35.18 ? 190 LEU C CA 1 ATOM 6859 C C . LEU C 1 123 ? 11.728 45.122 -56.632 1.00 37.24 ? 190 LEU C C 1 ATOM 6860 O O . LEU C 1 123 ? 11.723 45.679 -57.726 1.00 38.40 ? 190 LEU C O 1 ATOM 6861 C CB . LEU C 1 123 ? 13.996 44.326 -56.286 1.00 38.93 ? 190 LEU C CB 1 ATOM 6862 C CG . LEU C 1 123 ? 14.254 45.375 -55.181 1.00 35.82 ? 190 LEU C CG 1 ATOM 6863 C CD1 . LEU C 1 123 ? 14.119 44.821 -53.768 1.00 35.88 ? 190 LEU C CD1 1 ATOM 6864 C CD2 . LEU C 1 123 ? 15.660 45.923 -55.385 1.00 39.11 ? 190 LEU C CD2 1 ATOM 6865 N N . HIS C 1 124 ? 10.998 45.525 -55.611 1.00 35.13 ? 191 HIS C N 1 ATOM 6866 C CA . HIS C 1 124 ? 10.296 46.781 -55.614 1.00 37.15 ? 191 HIS C CA 1 ATOM 6867 C C . HIS C 1 124 ? 10.729 47.584 -54.400 1.00 35.39 ? 191 HIS C C 1 ATOM 6868 O O . HIS C 1 124 ? 10.782 47.073 -53.293 1.00 36.85 ? 191 HIS C O 1 ATOM 6869 C CB . HIS C 1 124 ? 8.772 46.596 -55.523 1.00 33.94 ? 191 HIS C CB 1 ATOM 6870 C CG . HIS C 1 124 ? 8.223 45.662 -56.540 1.00 36.04 ? 191 HIS C CG 1 ATOM 6871 N ND1 . HIS C 1 124 ? 8.160 45.966 -57.889 1.00 40.06 ? 191 HIS C ND1 1 ATOM 6872 C CD2 . HIS C 1 124 ? 7.718 44.418 -56.416 1.00 37.07 ? 191 HIS C CD2 1 ATOM 6873 C CE1 . HIS C 1 124 ? 7.632 44.950 -58.547 1.00 34.61 ? 191 HIS C CE1 1 ATOM 6874 N NE2 . HIS C 1 124 ? 7.360 43.998 -57.678 1.00 36.90 ? 191 HIS C NE2 1 ATOM 6875 N N . VAL C 1 125 ? 10.964 48.857 -54.645 1.00 35.91 ? 192 VAL C N 1 ATOM 6876 C CA . VAL C 1 125 ? 11.223 49.819 -53.643 1.00 38.01 ? 192 VAL C CA 1 ATOM 6877 C C . VAL C 1 125 ? 10.070 50.801 -53.561 1.00 38.86 ? 192 VAL C C 1 ATOM 6878 O O . VAL C 1 125 ? 9.741 51.485 -54.546 1.00 38.80 ? 192 VAL C O 1 ATOM 6879 C CB . VAL C 1 125 ? 12.449 50.610 -54.010 1.00 41.46 ? 192 VAL C CB 1 ATOM 6880 C CG1 . VAL C 1 125 ? 12.733 51.639 -52.911 1.00 40.74 ? 192 VAL C CG1 1 ATOM 6881 C CG2 . VAL C 1 125 ? 13.624 49.694 -54.207 1.00 37.03 ? 192 VAL C CG2 1 ATOM 6882 N N . CYS C 1 126 ? 9.448 50.846 -52.385 1.00 35.80 ? 193 CYS C N 1 ATOM 6883 C CA . CYS C 1 126 ? 8.141 51.446 -52.235 1.00 38.95 ? 193 CYS C CA 1 ATOM 6884 C C . CYS C 1 126 ? 8.146 52.369 -51.045 1.00 39.09 ? 193 CYS C C 1 ATOM 6885 O O . CYS C 1 126 ? 8.394 51.927 -49.925 1.00 36.55 ? 193 CYS C O 1 ATOM 6886 C CB . CYS C 1 126 ? 7.073 50.359 -52.021 1.00 45.95 ? 193 CYS C CB 1 ATOM 6887 S SG . CYS C 1 126 ? 6.999 49.146 -53.373 1.00 50.75 ? 193 CYS C SG 1 ATOM 6888 N N . VAL C 1 127 ? 7.909 53.652 -51.281 1.00 39.55 ? 194 VAL C N 1 ATOM 6889 C CA . VAL C 1 127 ? 7.969 54.651 -50.215 1.00 40.40 ? 194 VAL C CA 1 ATOM 6890 C C . VAL C 1 127 ? 6.592 55.171 -49.969 1.00 38.76 ? 194 VAL C C 1 ATOM 6891 O O . VAL C 1 127 ? 5.885 55.534 -50.935 1.00 35.30 ? 194 VAL C O 1 ATOM 6892 C CB . VAL C 1 127 ? 8.846 55.839 -50.588 1.00 40.46 ? 194 VAL C CB 1 ATOM 6893 C CG1 . VAL C 1 127 ? 9.046 56.728 -49.383 1.00 42.00 ? 194 VAL C CG1 1 ATOM 6894 C CG2 . VAL C 1 127 ? 10.176 55.385 -51.144 1.00 37.92 ? 194 VAL C CG2 1 ATOM 6895 N N . THR C 1 128 ? 6.209 55.167 -48.694 1.00 34.80 ? 195 THR C N 1 ATOM 6896 C CA . THR C 1 128 ? 4.879 55.667 -48.261 1.00 36.64 ? 195 THR C CA 1 ATOM 6897 C C . THR C 1 128 ? 4.965 56.204 -46.803 1.00 36.12 ? 195 THR C C 1 ATOM 6898 O O . THR C 1 128 ? 6.008 56.124 -46.176 1.00 37.20 ? 195 THR C O 1 ATOM 6899 C CB . THR C 1 128 ? 3.771 54.615 -48.389 1.00 34.82 ? 195 THR C CB 1 ATOM 6900 O OG1 . THR C 1 128 ? 2.476 55.173 -48.093 1.00 36.86 ? 195 THR C OG1 1 ATOM 6901 C CG2 . THR C 1 128 ? 3.988 53.507 -47.443 1.00 33.93 ? 195 THR C CG2 1 ATOM 6902 N N . GLY C 1 129 ? 3.879 56.793 -46.323 1.00 36.04 ? 196 GLY C N 1 ATOM 6903 C CA . GLY C 1 129 ? 3.777 57.360 -44.993 1.00 35.68 ? 196 GLY C CA 1 ATOM 6904 C C . GLY C 1 129 ? 3.822 58.860 -44.935 1.00 37.07 ? 196 GLY C C 1 ATOM 6905 O O . GLY C 1 129 ? 3.620 59.552 -45.941 1.00 35.48 ? 196 GLY C O 1 ATOM 6906 N N . ASP C 1 130 ? 4.053 59.386 -43.725 1.00 40.32 ? 197 ASP C N 1 ATOM 6907 C CA . ASP C 1 130 ? 4.114 60.843 -43.521 1.00 40.12 ? 197 ASP C CA 1 ATOM 6908 C C . ASP C 1 130 ? 5.193 61.416 -44.420 1.00 42.36 ? 197 ASP C C 1 ATOM 6909 O O . ASP C 1 130 ? 6.283 60.851 -44.546 1.00 38.00 ? 197 ASP C O 1 ATOM 6910 C CB . ASP C 1 130 ? 4.465 61.209 -42.060 1.00 40.84 ? 197 ASP C CB 1 ATOM 6911 C CG . ASP C 1 130 ? 3.380 60.824 -41.062 1.00 46.62 ? 197 ASP C CG 1 ATOM 6912 O OD1 . ASP C 1 130 ? 2.193 60.778 -41.445 1.00 47.91 ? 197 ASP C OD1 1 ATOM 6913 O OD2 . ASP C 1 130 ? 3.716 60.552 -39.877 1.00 54.78 ? 197 ASP C OD2 1 ATOM 6914 N N . ASP C 1 131 ? 4.916 62.577 -44.985 1.00 45.79 ? 198 ASP C N 1 ATOM 6915 C CA . ASP C 1 131 ? 5.874 63.297 -45.830 1.00 46.94 ? 198 ASP C CA 1 ATOM 6916 C C . ASP C 1 131 ? 7.307 63.286 -45.244 1.00 50.31 ? 198 ASP C C 1 ATOM 6917 O O . ASP C 1 131 ? 8.279 62.990 -45.938 1.00 45.18 ? 198 ASP C O 1 ATOM 6918 C CB . ASP C 1 131 ? 5.417 64.747 -46.002 1.00 51.68 ? 198 ASP C CB 1 ATOM 6919 C CG . ASP C 1 131 ? 4.312 64.921 -47.042 1.00 52.87 ? 198 ASP C CG 1 ATOM 6920 O OD1 . ASP C 1 131 ? 3.712 63.956 -47.491 1.00 58.40 ? 198 ASP C OD1 1 ATOM 6921 O OD2 . ASP C 1 131 ? 4.060 66.053 -47.455 1.00 61.87 ? 198 ASP C OD2 1 ATOM 6922 N N . ARG C 1 132 ? 7.415 63.624 -43.971 1.00 47.81 ? 199 ARG C N 1 ATOM 6923 C CA . ARG C 1 132 ? 8.686 63.929 -43.362 1.00 50.27 ? 199 ARG C CA 1 ATOM 6924 C C . ARG C 1 132 ? 9.176 62.815 -42.489 1.00 43.95 ? 199 ARG C C 1 ATOM 6925 O O . ARG C 1 132 ? 10.117 63.001 -41.729 1.00 43.92 ? 199 ARG C O 1 ATOM 6926 C CB . ARG C 1 132 ? 8.524 65.196 -42.504 1.00 66.45 ? 199 ARG C CB 1 ATOM 6927 C CG . ARG C 1 132 ? 7.987 66.389 -43.287 1.00 75.50 ? 199 ARG C CG 1 ATOM 6928 C CD . ARG C 1 132 ? 9.050 67.289 -43.844 1.00 77.35 ? 199 ARG C CD 1 ATOM 6929 N NE . ARG C 1 132 ? 8.461 68.188 -44.832 1.00 92.12 ? 199 ARG C NE 1 ATOM 6930 C CZ . ARG C 1 132 ? 9.095 69.194 -45.449 1.00 103.51 ? 199 ARG C CZ 1 ATOM 6931 N NH1 . ARG C 1 132 ? 10.361 69.505 -45.161 1.00 102.50 ? 199 ARG C NH1 1 ATOM 6932 N NH2 . ARG C 1 132 ? 8.445 69.906 -46.366 1.00 98.59 ? 199 ARG C NH2 1 ATOM 6933 N N . ASN C 1 133 ? 8.484 61.681 -42.504 1.00 43.82 ? 200 ASN C N 1 ATOM 6934 C CA . ASN C 1 133 ? 8.914 60.527 -41.709 1.00 39.62 ? 200 ASN C CA 1 ATOM 6935 C C . ASN C 1 133 ? 8.456 59.268 -42.395 1.00 39.70 ? 200 ASN C C 1 ATOM 6936 O O . ASN C 1 133 ? 7.797 58.416 -41.805 1.00 32.28 ? 200 ASN C O 1 ATOM 6937 C CB . ASN C 1 133 ? 8.441 60.615 -40.226 1.00 38.36 ? 200 ASN C CB 1 ATOM 6938 C CG . ASN C 1 133 ? 9.277 59.735 -39.264 1.00 37.21 ? 200 ASN C CG 1 ATOM 6939 O OD1 . ASN C 1 133 ? 10.392 59.401 -39.567 1.00 36.42 ? 200 ASN C OD1 1 ATOM 6940 N ND2 . ASN C 1 133 ? 8.696 59.338 -38.134 1.00 42.57 ? 200 ASN C ND2 1 ATOM 6941 N N . ALA C 1 134 ? 8.861 59.146 -43.667 1.00 40.26 ? 201 ALA C N 1 ATOM 6942 C CA . ALA C 1 134 ? 8.351 58.064 -44.522 1.00 37.75 ? 201 ALA C CA 1 ATOM 6943 C C . ALA C 1 134 ? 9.042 56.769 -44.223 1.00 38.52 ? 201 ALA C C 1 ATOM 6944 O O . ALA C 1 134 ? 10.092 56.765 -43.611 1.00 40.32 ? 201 ALA C O 1 ATOM 6945 C CB . ALA C 1 134 ? 8.524 58.427 -45.980 1.00 40.76 ? 201 ALA C CB 1 ATOM 6946 N N . THR C 1 135 ? 8.496 55.692 -44.775 1.00 37.13 ? 202 THR C N 1 ATOM 6947 C CA . THR C 1 135 ? 9.133 54.430 -44.749 1.00 35.26 ? 202 THR C CA 1 ATOM 6948 C C . THR C 1 135 ? 9.325 53.935 -46.186 1.00 35.31 ? 202 THR C C 1 ATOM 6949 O O . THR C 1 135 ? 8.396 53.949 -47.002 1.00 40.59 ? 202 THR C O 1 ATOM 6950 C CB . THR C 1 135 ? 8.244 53.411 -44.056 1.00 37.00 ? 202 THR C CB 1 ATOM 6951 O OG1 . THR C 1 135 ? 7.973 53.816 -42.729 1.00 39.62 ? 202 THR C OG1 1 ATOM 6952 C CG2 . THR C 1 135 ? 8.943 52.042 -44.014 1.00 39.12 ? 202 THR C CG2 1 ATOM 6953 N N . ALA C 1 136 ? 10.487 53.408 -46.468 1.00 34.01 ? 203 ALA C N 1 ATOM 6954 C CA . ALA C 1 136 ? 10.720 52.732 -47.726 1.00 37.81 ? 203 ALA C CA 1 ATOM 6955 C C . ALA C 1 136 ? 10.790 51.263 -47.452 1.00 37.88 ? 203 ALA C C 1 ATOM 6956 O O . ALA C 1 136 ? 11.693 50.791 -46.731 1.00 38.90 ? 203 ALA C O 1 ATOM 6957 C CB . ALA C 1 136 ? 12.024 53.192 -48.399 1.00 36.19 ? 203 ALA C CB 1 ATOM 6958 N N . SER C 1 137 ? 9.902 50.520 -48.108 1.00 36.65 ? 204 SER C N 1 ATOM 6959 C CA . SER C 1 137 ? 9.899 49.041 -47.999 1.00 38.64 ? 204 SER C CA 1 ATOM 6960 C C . SER C 1 137 ? 10.579 48.447 -49.242 1.00 37.08 ? 204 SER C C 1 ATOM 6961 O O . SER C 1 137 ? 10.424 48.928 -50.363 1.00 42.12 ? 204 SER C O 1 ATOM 6962 C CB . SER C 1 137 ? 8.458 48.486 -47.910 1.00 35.80 ? 204 SER C CB 1 ATOM 6963 O OG . SER C 1 137 ? 7.808 48.851 -46.709 1.00 38.12 ? 204 SER C OG 1 ATOM 6964 N N . PHE C 1 138 ? 11.270 47.362 -49.005 1.00 39.68 ? 205 PHE C N 1 ATOM 6965 C CA . PHE C 1 138 ? 11.943 46.582 -50.038 1.00 39.59 ? 205 PHE C CA 1 ATOM 6966 C C . PHE C 1 138 ? 11.335 45.197 -50.122 1.00 36.34 ? 205 PHE C C 1 ATOM 6967 O O . PHE C 1 138 ? 11.375 44.424 -49.150 1.00 36.71 ? 205 PHE C O 1 ATOM 6968 C CB . PHE C 1 138 ? 13.431 46.503 -49.743 1.00 37.97 ? 205 PHE C CB 1 ATOM 6969 C CG . PHE C 1 138 ? 14.052 47.833 -49.693 1.00 39.68 ? 205 PHE C CG 1 ATOM 6970 C CD1 . PHE C 1 138 ? 13.938 48.611 -48.550 1.00 39.51 ? 205 PHE C CD1 1 ATOM 6971 C CD2 . PHE C 1 138 ? 14.749 48.327 -50.780 1.00 40.52 ? 205 PHE C CD2 1 ATOM 6972 C CE1 . PHE C 1 138 ? 14.511 49.850 -48.501 1.00 43.79 ? 205 PHE C CE1 1 ATOM 6973 C CE2 . PHE C 1 138 ? 15.314 49.575 -50.742 1.00 38.05 ? 205 PHE C CE2 1 ATOM 6974 C CZ . PHE C 1 138 ? 15.183 50.350 -49.612 1.00 43.15 ? 205 PHE C CZ 1 ATOM 6975 N N . ILE C 1 139 ? 10.789 44.908 -51.291 1.00 34.24 ? 206 ILE C N 1 ATOM 6976 C CA . ILE C 1 139 ? 10.012 43.707 -51.483 1.00 35.21 ? 206 ILE C CA 1 ATOM 6977 C C . ILE C 1 139 ? 10.671 42.908 -52.556 1.00 36.43 ? 206 ILE C C 1 ATOM 6978 O O . ILE C 1 139 ? 10.903 43.411 -53.623 1.00 38.87 ? 206 ILE C O 1 ATOM 6979 C CB . ILE C 1 139 ? 8.586 44.073 -51.845 1.00 43.62 ? 206 ILE C CB 1 ATOM 6980 C CG1 . ILE C 1 139 ? 8.034 44.809 -50.574 1.00 46.03 ? 206 ILE C CG1 1 ATOM 6981 C CG2 . ILE C 1 139 ? 7.795 42.824 -52.253 1.00 39.81 ? 206 ILE C CG2 1 ATOM 6982 C CD1 . ILE C 1 139 ? 6.636 45.272 -50.695 1.00 50.30 ? 206 ILE C CD1 1 ATOM 6983 N N . TYR C 1 140 ? 11.040 41.683 -52.213 1.00 35.53 ? 207 TYR C N 1 ATOM 6984 C CA . TYR C 1 140 ? 11.818 40.854 -53.072 1.00 36.52 ? 207 TYR C CA 1 ATOM 6985 C C . TYR C 1 140 ? 11.068 39.553 -53.167 1.00 38.37 ? 207 TYR C C 1 ATOM 6986 O O . TYR C 1 140 ? 10.720 38.947 -52.172 1.00 38.21 ? 207 TYR C O 1 ATOM 6987 C CB . TYR C 1 140 ? 13.243 40.632 -52.502 1.00 38.62 ? 207 TYR C CB 1 ATOM 6988 C CG . TYR C 1 140 ? 14.096 39.794 -53.408 1.00 39.86 ? 207 TYR C CG 1 ATOM 6989 C CD1 . TYR C 1 140 ? 14.591 40.335 -54.585 1.00 44.06 ? 207 TYR C CD1 1 ATOM 6990 C CD2 . TYR C 1 140 ? 14.349 38.451 -53.140 1.00 40.17 ? 207 TYR C CD2 1 ATOM 6991 C CE1 . TYR C 1 140 ? 15.330 39.580 -55.475 1.00 39.61 ? 207 TYR C CE1 1 ATOM 6992 C CE2 . TYR C 1 140 ? 15.080 37.686 -54.020 1.00 41.63 ? 207 TYR C CE2 1 ATOM 6993 C CZ . TYR C 1 140 ? 15.565 38.283 -55.199 1.00 44.87 ? 207 TYR C CZ 1 ATOM 6994 O OH . TYR C 1 140 ? 16.305 37.576 -56.086 1.00 45.13 ? 207 TYR C OH 1 ATOM 6995 N N . ASP C 1 141 ? 10.786 39.151 -54.395 1.00 46.12 ? 208 ASP C N 1 ATOM 6996 C CA . ASP C 1 141 ? 10.060 37.911 -54.671 1.00 44.37 ? 208 ASP C CA 1 ATOM 6997 C C . ASP C 1 141 ? 8.747 37.825 -53.899 1.00 41.64 ? 208 ASP C C 1 ATOM 6998 O O . ASP C 1 141 ? 8.418 36.806 -53.300 1.00 42.39 ? 208 ASP C O 1 ATOM 6999 C CB . ASP C 1 141 ? 10.951 36.712 -54.324 1.00 46.71 ? 208 ASP C CB 1 ATOM 7000 C CG . ASP C 1 141 ? 10.573 35.447 -55.112 1.00 56.11 ? 208 ASP C CG 1 ATOM 7001 O OD1 . ASP C 1 141 ? 9.741 35.492 -56.082 1.00 58.84 ? 208 ASP C OD1 1 ATOM 7002 O OD2 . ASP C 1 141 ? 11.122 34.392 -54.748 1.00 57.37 ? 208 ASP C OD2 1 ATOM 7003 N N . GLY C 1 142 ? 8.009 38.918 -53.892 1.00 41.62 ? 209 GLY C N 1 ATOM 7004 C CA . GLY C 1 142 ? 6.728 38.942 -53.181 1.00 40.78 ? 209 GLY C CA 1 ATOM 7005 C C . GLY C 1 142 ? 6.816 39.019 -51.641 1.00 44.86 ? 209 GLY C C 1 ATOM 7006 O O . GLY C 1 142 ? 5.795 39.023 -51.010 1.00 47.32 ? 209 GLY C O 1 ATOM 7007 N N . MET C 1 143 ? 8.004 39.104 -51.050 1.00 40.61 ? 210 MET C N 1 ATOM 7008 C CA . MET C 1 143 ? 8.150 39.168 -49.586 1.00 46.10 ? 210 MET C CA 1 ATOM 7009 C C . MET C 1 143 ? 8.886 40.401 -49.115 1.00 46.18 ? 210 MET C C 1 ATOM 7010 O O . MET C 1 143 ? 9.832 40.855 -49.760 1.00 44.34 ? 210 MET C O 1 ATOM 7011 C CB . MET C 1 143 ? 8.963 38.002 -49.040 1.00 48.41 ? 210 MET C CB 1 ATOM 7012 C CG . MET C 1 143 ? 8.414 36.615 -49.370 1.00 56.73 ? 210 MET C CG 1 ATOM 7013 S SD . MET C 1 143 ? 9.603 35.324 -48.916 1.00 78.19 ? 210 MET C SD 1 ATOM 7014 C CE . MET C 1 143 ? 8.885 33.935 -49.851 1.00 97.34 ? 210 MET C CE 1 ATOM 7015 N N . LEU C 1 144 ? 8.435 40.936 -47.992 1.00 39.90 ? 211 LEU C N 1 ATOM 7016 C CA . LEU C 1 144 ? 9.101 42.054 -47.390 1.00 41.11 ? 211 LEU C CA 1 ATOM 7017 C C . LEU C 1 144 ? 10.441 41.641 -46.835 1.00 43.48 ? 211 LEU C C 1 ATOM 7018 O O . LEU C 1 144 ? 10.526 40.744 -46.016 1.00 38.88 ? 211 LEU C O 1 ATOM 7019 C CB . LEU C 1 144 ? 8.283 42.640 -46.258 1.00 46.89 ? 211 LEU C CB 1 ATOM 7020 C CG . LEU C 1 144 ? 8.934 44.009 -45.953 1.00 48.18 ? 211 LEU C CG 1 ATOM 7021 C CD1 . LEU C 1 144 ? 7.958 45.124 -46.133 1.00 49.19 ? 211 LEU C CD1 1 ATOM 7022 C CD2 . LEU C 1 144 ? 9.576 44.085 -44.577 1.00 51.07 ? 211 LEU C CD2 1 ATOM 7023 N N . ALA C 1 145 ? 11.481 42.268 -47.325 1.00 42.65 ? 212 ALA C N 1 ATOM 7024 C CA . ALA C 1 145 ? 12.833 41.858 -46.994 1.00 41.68 ? 212 ALA C CA 1 ATOM 7025 C C . ALA C 1 145 ? 13.597 42.877 -46.146 1.00 42.07 ? 212 ALA C C 1 ATOM 7026 O O . ALA C 1 145 ? 14.531 42.523 -45.464 1.00 44.25 ? 212 ALA C O 1 ATOM 7027 C CB . ALA C 1 145 ? 13.601 41.588 -48.282 1.00 41.61 ? 212 ALA C CB 1 ATOM 7028 N N . ASP C 1 146 ? 13.222 44.138 -46.214 1.00 41.17 ? 213 ASP C N 1 ATOM 7029 C CA . ASP C 1 146 ? 13.923 45.172 -45.465 1.00 43.47 ? 213 ASP C CA 1 ATOM 7030 C C . ASP C 1 146 ? 13.132 46.473 -45.521 1.00 44.42 ? 213 ASP C C 1 ATOM 7031 O O . ASP C 1 146 ? 12.213 46.595 -46.314 1.00 40.02 ? 213 ASP C O 1 ATOM 7032 C CB . ASP C 1 146 ? 15.295 45.447 -46.080 1.00 45.65 ? 213 ASP C CB 1 ATOM 7033 C CG . ASP C 1 146 ? 16.394 45.746 -45.019 1.00 53.96 ? 213 ASP C CG 1 ATOM 7034 O OD1 . ASP C 1 146 ? 16.049 46.055 -43.821 1.00 44.19 ? 213 ASP C OD1 1 ATOM 7035 O OD2 . ASP C 1 146 ? 17.615 45.662 -45.411 1.00 49.49 ? 213 ASP C OD2 1 ATOM 7036 N N . SER C 1 147 ? 13.529 47.444 -44.705 1.00 37.53 ? 214 SER C N 1 ATOM 7037 C CA . SER C 1 147 ? 12.935 48.752 -44.765 1.00 36.86 ? 214 SER C CA 1 ATOM 7038 C C . SER C 1 147 ? 13.942 49.767 -44.242 1.00 37.74 ? 214 SER C C 1 ATOM 7039 O O . SER C 1 147 ? 14.813 49.449 -43.456 1.00 36.58 ? 214 SER C O 1 ATOM 7040 C CB . SER C 1 147 ? 11.674 48.801 -43.880 1.00 38.03 ? 214 SER C CB 1 ATOM 7041 O OG . SER C 1 147 ? 11.975 48.612 -42.455 1.00 38.82 ? 214 SER C OG 1 ATOM 7042 N N . ILE C 1 148 ? 13.728 51.015 -44.591 1.00 40.36 ? 215 ILE C N 1 ATOM 7043 C CA . ILE C 1 148 ? 14.504 52.084 -44.040 1.00 42.61 ? 215 ILE C CA 1 ATOM 7044 C C . ILE C 1 148 ? 13.596 53.281 -43.834 1.00 45.33 ? 215 ILE C C 1 ATOM 7045 O O . ILE C 1 148 ? 12.696 53.538 -44.640 1.00 39.10 ? 215 ILE C O 1 ATOM 7046 C CB . ILE C 1 148 ? 15.710 52.411 -44.961 1.00 46.74 ? 215 ILE C CB 1 ATOM 7047 C CG1 . ILE C 1 148 ? 16.691 53.273 -44.225 1.00 49.30 ? 215 ILE C CG1 1 ATOM 7048 C CG2 . ILE C 1 148 ? 15.284 53.092 -46.267 1.00 44.50 ? 215 ILE C CG2 1 ATOM 7049 C CD1 . ILE C 1 148 ? 18.030 53.357 -44.930 1.00 54.62 ? 215 ILE C CD1 1 ATOM 7050 N N . GLY C 1 149 ? 13.831 53.986 -42.726 1.00 47.21 ? 216 GLY C N 1 ATOM 7051 C CA . GLY C 1 149 ? 13.175 55.268 -42.437 1.00 42.78 ? 216 GLY C CA 1 ATOM 7052 C C . GLY C 1 149 ? 13.872 56.444 -43.117 1.00 40.57 ? 216 GLY C C 1 ATOM 7053 O O . GLY C 1 149 ? 14.988 56.355 -43.585 1.00 43.15 ? 216 GLY C O 1 ATOM 7054 N N . SER C 1 150 ? 13.172 57.554 -43.222 1.00 45.66 ? 217 SER C N 1 ATOM 7055 C CA . SER C 1 150 ? 13.738 58.809 -43.751 1.00 42.38 ? 217 SER C CA 1 ATOM 7056 C C . SER C 1 150 ? 14.929 59.191 -42.883 1.00 44.67 ? 217 SER C C 1 ATOM 7057 O O . SER C 1 150 ? 14.784 59.257 -41.667 1.00 45.02 ? 217 SER C O 1 ATOM 7058 C CB . SER C 1 150 ? 12.655 59.839 -43.659 1.00 38.63 ? 217 SER C CB 1 ATOM 7059 O OG . SER C 1 150 ? 13.096 61.097 -44.049 1.00 48.68 ? 217 SER C OG 1 ATOM 7060 N N . TRP C 1 151 ? 16.092 59.418 -43.493 1.00 44.00 ? 218 TRP C N 1 ATOM 7061 C CA . TRP C 1 151 ? 17.318 59.792 -42.766 1.00 43.12 ? 218 TRP C CA 1 ATOM 7062 C C . TRP C 1 151 ? 17.499 61.284 -42.525 1.00 44.58 ? 218 TRP C C 1 ATOM 7063 O O . TRP C 1 151 ? 18.209 61.664 -41.653 1.00 51.68 ? 218 TRP C O 1 ATOM 7064 C CB . TRP C 1 151 ? 18.566 59.260 -43.465 1.00 45.01 ? 218 TRP C CB 1 ATOM 7065 C CG . TRP C 1 151 ? 18.653 59.544 -44.974 1.00 52.05 ? 218 TRP C CG 1 ATOM 7066 C CD1 . TRP C 1 151 ? 19.081 60.671 -45.566 1.00 49.68 ? 218 TRP C CD1 1 ATOM 7067 C CD2 . TRP C 1 151 ? 18.317 58.647 -46.036 1.00 50.73 ? 218 TRP C CD2 1 ATOM 7068 N NE1 . TRP C 1 151 ? 19.055 60.543 -46.925 1.00 50.68 ? 218 TRP C NE1 1 ATOM 7069 C CE2 . TRP C 1 151 ? 18.599 59.305 -47.246 1.00 48.55 ? 218 TRP C CE2 1 ATOM 7070 C CE3 . TRP C 1 151 ? 17.862 57.330 -46.073 1.00 53.13 ? 218 TRP C CE3 1 ATOM 7071 C CZ2 . TRP C 1 151 ? 18.390 58.711 -48.518 1.00 54.35 ? 218 TRP C CZ2 1 ATOM 7072 C CZ3 . TRP C 1 151 ? 17.658 56.734 -47.325 1.00 53.55 ? 218 TRP C CZ3 1 ATOM 7073 C CH2 . TRP C 1 151 ? 17.920 57.428 -48.528 1.00 47.16 ? 218 TRP C CH2 1 ATOM 7074 N N . SER C 1 152 ? 16.834 62.141 -43.263 1.00 46.30 ? 219 SER C N 1 ATOM 7075 C CA . SER C 1 152 ? 16.883 63.587 -42.992 1.00 48.01 ? 219 SER C CA 1 ATOM 7076 C C . SER C 1 152 ? 15.593 64.203 -42.557 1.00 46.95 ? 219 SER C C 1 ATOM 7077 O O . SER C 1 152 ? 15.559 65.389 -42.253 1.00 53.26 ? 219 SER C O 1 ATOM 7078 C CB . SER C 1 152 ? 17.275 64.329 -44.265 1.00 53.26 ? 219 SER C CB 1 ATOM 7079 O OG . SER C 1 152 ? 18.535 63.871 -44.670 1.00 65.21 ? 219 SER C OG 1 ATOM 7080 N N . GLN C 1 153 ? 14.514 63.439 -42.631 1.00 51.20 ? 220 GLN C N 1 ATOM 7081 C CA . GLN C 1 153 ? 13.169 63.950 -42.338 1.00 56.68 ? 220 GLN C CA 1 ATOM 7082 C C . GLN C 1 153 ? 12.746 65.112 -43.203 1.00 53.30 ? 220 GLN C C 1 ATOM 7083 O O . GLN C 1 153 ? 12.057 66.013 -42.763 1.00 51.06 ? 220 GLN C O 1 ATOM 7084 C CB . GLN C 1 153 ? 13.037 64.267 -40.868 1.00 55.25 ? 220 GLN C CB 1 ATOM 7085 C CG . GLN C 1 153 ? 13.536 63.059 -40.099 1.00 64.93 ? 220 GLN C CG 1 ATOM 7086 C CD . GLN C 1 153 ? 13.097 62.989 -38.657 1.00 73.60 ? 220 GLN C CD 1 ATOM 7087 O OE1 . GLN C 1 153 ? 13.244 63.960 -37.894 1.00 80.87 ? 220 GLN C OE1 1 ATOM 7088 N NE2 . GLN C 1 153 ? 12.648 61.804 -38.246 1.00 72.94 ? 220 GLN C NE2 1 ATOM 7089 N N . ASN C 1 154 ? 13.189 65.057 -44.445 1.00 52.74 ? 221 ASN C N 1 ATOM 7090 C CA . ASN C 1 154 ? 12.580 65.788 -45.547 1.00 52.40 ? 221 ASN C CA 1 ATOM 7091 C C . ASN C 1 154 ? 11.672 64.756 -46.219 1.00 47.65 ? 221 ASN C C 1 ATOM 7092 O O . ASN C 1 154 ? 11.239 63.803 -45.577 1.00 48.76 ? 221 ASN C O 1 ATOM 7093 C CB . ASN C 1 154 ? 13.672 66.329 -46.463 1.00 55.10 ? 221 ASN C CB 1 ATOM 7094 C CG . ASN C 1 154 ? 14.494 67.421 -45.770 1.00 62.73 ? 221 ASN C CG 1 ATOM 7095 O OD1 . ASN C 1 154 ? 13.957 68.436 -45.376 1.00 58.78 ? 221 ASN C OD1 1 ATOM 7096 N ND2 . ASN C 1 154 ? 15.812 67.211 -45.635 1.00 71.27 ? 221 ASN C ND2 1 ATOM 7097 N N . ILE C 1 155 ? 11.453 64.848 -47.511 1.00 45.57 ? 222 ILE C N 1 ATOM 7098 C CA . ILE C 1 155 ? 10.621 63.864 -48.193 1.00 42.24 ? 222 ILE C CA 1 ATOM 7099 C C . ILE C 1 155 ? 11.432 62.797 -48.917 1.00 40.56 ? 222 ILE C C 1 ATOM 7100 O O . ILE C 1 155 ? 12.133 63.090 -49.853 1.00 38.04 ? 222 ILE C O 1 ATOM 7101 C CB . ILE C 1 155 ? 9.745 64.622 -49.167 1.00 43.79 ? 222 ILE C CB 1 ATOM 7102 C CG1 . ILE C 1 155 ? 8.926 65.616 -48.348 1.00 49.90 ? 222 ILE C CG1 1 ATOM 7103 C CG2 . ILE C 1 155 ? 8.823 63.693 -49.897 1.00 45.56 ? 222 ILE C CG2 1 ATOM 7104 C CD1 . ILE C 1 155 ? 8.280 66.696 -49.186 1.00 50.27 ? 222 ILE C CD1 1 ATOM 7105 N N . LEU C 1 156 ? 11.394 61.574 -48.414 1.00 42.02 ? 223 LEU C N 1 ATOM 7106 C CA . LEU C 1 156 ? 12.168 60.500 -48.990 1.00 42.13 ? 223 LEU C CA 1 ATOM 7107 C C . LEU C 1 156 ? 11.512 60.057 -50.289 1.00 43.04 ? 223 LEU C C 1 ATOM 7108 O O . LEU C 1 156 ? 10.348 59.752 -50.286 1.00 45.48 ? 223 LEU C O 1 ATOM 7109 C CB . LEU C 1 156 ? 12.285 59.354 -47.991 1.00 41.86 ? 223 LEU C CB 1 ATOM 7110 C CG . LEU C 1 156 ? 13.059 58.128 -48.429 1.00 40.55 ? 223 LEU C CG 1 ATOM 7111 C CD1 . LEU C 1 156 ? 14.519 58.456 -48.631 1.00 43.81 ? 223 LEU C CD1 1 ATOM 7112 C CD2 . LEU C 1 156 ? 12.935 57.065 -47.363 1.00 44.67 ? 223 LEU C CD2 1 ATOM 7113 N N . ARG C 1 157 ? 12.284 60.037 -51.360 1.00 42.00 ? 224 ARG C N 1 ATOM 7114 C CA . ARG C 1 157 ? 11.819 59.738 -52.700 1.00 47.62 ? 224 ARG C CA 1 ATOM 7115 C C . ARG C 1 157 ? 12.865 58.938 -53.495 1.00 45.15 ? 224 ARG C C 1 ATOM 7116 O O . ARG C 1 157 ? 14.052 58.983 -53.201 1.00 46.45 ? 224 ARG C O 1 ATOM 7117 C CB . ARG C 1 157 ? 11.534 61.039 -53.439 1.00 51.92 ? 224 ARG C CB 1 ATOM 7118 C CG . ARG C 1 157 ? 10.117 61.643 -53.299 1.00 60.58 ? 224 ARG C CG 1 ATOM 7119 C CD . ARG C 1 157 ? 10.043 63.132 -53.759 1.00 64.68 ? 224 ARG C CD 1 ATOM 7120 N NE . ARG C 1 157 ? 10.937 64.074 -53.005 1.00 87.92 ? 224 ARG C NE 1 ATOM 7121 C CZ . ARG C 1 157 ? 12.276 64.301 -53.149 1.00 96.79 ? 224 ARG C CZ 1 ATOM 7122 N NH1 . ARG C 1 157 ? 12.881 65.168 -52.337 1.00 82.31 ? 224 ARG C NH1 1 ATOM 7123 N NH2 . ARG C 1 157 ? 13.035 63.696 -54.077 1.00 106.72 ? 224 ARG C NH2 1 ATOM 7124 N N . THR C 1 158 ? 12.415 58.221 -54.520 1.00 43.42 ? 225 THR C N 1 ATOM 7125 C CA . THR C 1 158 ? 13.309 57.458 -55.372 1.00 37.91 ? 225 THR C CA 1 ATOM 7126 C C . THR C 1 158 ? 13.093 57.725 -56.870 1.00 36.83 ? 225 THR C C 1 ATOM 7127 O O . THR C 1 158 ? 12.704 58.825 -57.293 1.00 34.33 ? 225 THR C O 1 ATOM 7128 C CB . THR C 1 158 ? 13.301 55.967 -54.926 1.00 41.74 ? 225 THR C CB 1 ATOM 7129 O OG1 . THR C 1 158 ? 14.331 55.253 -55.619 1.00 37.63 ? 225 THR C OG1 1 ATOM 7130 C CG2 . THR C 1 158 ? 12.003 55.334 -55.150 1.00 39.78 ? 225 THR C CG2 1 ATOM 7131 N N . GLN C 1 159 ? 13.477 56.783 -57.710 1.00 39.07 ? 226 GLN C N 1 ATOM 7132 C CA . GLN C 1 159 ? 13.702 57.091 -59.146 1.00 34.76 ? 226 GLN C CA 1 ATOM 7133 C C . GLN C 1 159 ? 12.480 57.340 -59.996 1.00 33.11 ? 226 GLN C C 1 ATOM 7134 O O . GLN C 1 159 ? 12.496 58.112 -60.958 1.00 36.98 ? 226 GLN C O 1 ATOM 7135 C CB . GLN C 1 159 ? 14.518 55.975 -59.776 1.00 37.11 ? 226 GLN C CB 1 ATOM 7136 C CG . GLN C 1 159 ? 15.907 55.852 -59.206 1.00 35.45 ? 226 GLN C CG 1 ATOM 7137 C CD . GLN C 1 159 ? 16.738 54.718 -59.788 1.00 40.37 ? 226 GLN C CD 1 ATOM 7138 O OE1 . GLN C 1 159 ? 17.702 54.267 -59.154 1.00 43.33 ? 226 GLN C OE1 1 ATOM 7139 N NE2 . GLN C 1 159 ? 16.373 54.227 -60.967 1.00 42.36 ? 226 GLN C NE2 1 ATOM 7140 N N . GLU C 1 160 ? 11.397 56.690 -59.663 1.00 35.26 ? 227 GLU C N 1 ATOM 7141 C CA . GLU C 1 160 ? 10.249 56.603 -60.558 1.00 36.67 ? 227 GLU C CA 1 ATOM 7142 C C . GLU C 1 160 ? 10.575 55.972 -61.951 1.00 38.98 ? 227 GLU C C 1 ATOM 7143 O O . GLU C 1 160 ? 9.911 56.254 -62.964 1.00 38.37 ? 227 GLU C O 1 ATOM 7144 C CB . GLU C 1 160 ? 9.548 57.938 -60.735 1.00 38.03 ? 227 GLU C CB 1 ATOM 7145 C CG . GLU C 1 160 ? 9.536 58.895 -59.556 1.00 42.69 ? 227 GLU C CG 1 ATOM 7146 C CD . GLU C 1 160 ? 8.894 58.385 -58.269 1.00 47.37 ? 227 GLU C CD 1 ATOM 7147 O OE1 . GLU C 1 160 ? 8.262 57.304 -58.302 1.00 52.66 ? 227 GLU C OE1 1 ATOM 7148 O OE2 . GLU C 1 160 ? 9.011 59.086 -57.199 1.00 52.75 ? 227 GLU C OE2 1 ATOM 7149 N N . SER C 1 161 ? 11.566 55.085 -61.970 1.00 38.59 ? 228 SER C N 1 ATOM 7150 C CA . SER C 1 161 ? 11.851 54.259 -63.145 1.00 38.89 ? 228 SER C CA 1 ATOM 7151 C C . SER C 1 161 ? 12.660 53.037 -62.701 1.00 36.57 ? 228 SER C C 1 ATOM 7152 O O . SER C 1 161 ? 12.879 52.833 -61.502 1.00 36.91 ? 228 SER C O 1 ATOM 7153 C CB . SER C 1 161 ? 12.558 55.060 -64.225 1.00 41.84 ? 228 SER C CB 1 ATOM 7154 O OG . SER C 1 161 ? 13.788 55.574 -63.715 1.00 45.14 ? 228 SER C OG 1 ATOM 7155 N N . GLU C 1 162 ? 13.078 52.202 -63.644 1.00 36.49 ? 229 GLU C N 1 ATOM 7156 C CA . GLU C 1 162 ? 13.697 50.936 -63.262 1.00 37.04 ? 229 GLU C CA 1 ATOM 7157 C C . GLU C 1 162 ? 15.046 51.115 -62.528 1.00 38.66 ? 229 GLU C C 1 ATOM 7158 O O . GLU C 1 162 ? 15.874 51.960 -62.913 1.00 35.04 ? 229 GLU C O 1 ATOM 7159 C CB . GLU C 1 162 ? 13.847 49.989 -64.451 1.00 38.73 ? 229 GLU C CB 1 ATOM 7160 C CG . GLU C 1 162 ? 14.941 50.239 -65.469 1.00 39.38 ? 229 GLU C CG 1 ATOM 7161 C CD . GLU C 1 162 ? 15.085 49.021 -66.442 1.00 44.33 ? 229 GLU C CD 1 ATOM 7162 O OE1 . GLU C 1 162 ? 15.963 49.020 -67.355 1.00 46.25 ? 229 GLU C OE1 1 ATOM 7163 O OE2 . GLU C 1 162 ? 14.352 48.007 -66.273 1.00 46.90 ? 229 GLU C OE2 1 ATOM 7164 N N . CYS C 1 163 ? 15.228 50.323 -61.481 1.00 36.06 ? 230 CYS C N 1 ATOM 7165 C CA . CYS C 1 163 ? 16.549 50.139 -60.886 1.00 39.21 ? 230 CYS C CA 1 ATOM 7166 C C . CYS C 1 163 ? 17.304 49.132 -61.759 1.00 40.10 ? 230 CYS C C 1 ATOM 7167 O O . CYS C 1 163 ? 16.791 48.651 -62.795 1.00 40.96 ? 230 CYS C O 1 ATOM 7168 C CB . CYS C 1 163 ? 16.465 49.703 -59.400 1.00 41.42 ? 230 CYS C CB 1 ATOM 7169 S SG . CYS C 1 163 ? 15.175 48.533 -58.901 1.00 46.96 ? 230 CYS C SG 1 ATOM 7170 N N . VAL C 1 164 ? 18.524 48.833 -61.372 1.00 39.30 ? 231 VAL C N 1 ATOM 7171 C CA . VAL C 1 164 ? 19.387 47.994 -62.164 1.00 38.16 ? 231 VAL C CA 1 ATOM 7172 C C . VAL C 1 164 ? 20.104 46.990 -61.255 1.00 40.00 ? 231 VAL C C 1 ATOM 7173 O O . VAL C 1 164 ? 20.680 47.373 -60.216 1.00 39.81 ? 231 VAL C O 1 ATOM 7174 C CB . VAL C 1 164 ? 20.428 48.854 -62.903 1.00 38.27 ? 231 VAL C CB 1 ATOM 7175 C CG1 . VAL C 1 164 ? 21.248 48.013 -63.855 1.00 41.57 ? 231 VAL C CG1 1 ATOM 7176 C CG2 . VAL C 1 164 ? 19.752 49.903 -63.714 1.00 36.35 ? 231 VAL C CG2 1 ATOM 7177 N N . CYS C 1 165 ? 20.143 45.736 -61.698 1.00 38.87 ? 232 CYS C N 1 ATOM 7178 C CA . CYS C 1 165 ? 20.780 44.680 -60.963 1.00 42.30 ? 232 CYS C CA 1 ATOM 7179 C C . CYS C 1 165 ? 21.825 44.039 -61.780 1.00 40.68 ? 232 CYS C C 1 ATOM 7180 O O . CYS C 1 165 ? 21.576 43.698 -62.923 1.00 37.82 ? 232 CYS C O 1 ATOM 7181 C CB . CYS C 1 165 ? 19.814 43.581 -60.597 1.00 45.71 ? 232 CYS C CB 1 ATOM 7182 S SG . CYS C 1 165 ? 18.315 44.138 -59.798 1.00 49.55 ? 232 CYS C SG 1 ATOM 7183 N N . ILE C 1 166 ? 22.998 43.852 -61.167 1.00 42.15 ? 233 ILE C N 1 ATOM 7184 C CA . ILE C 1 166 ? 24.069 43.083 -61.790 1.00 42.77 ? 233 ILE C CA 1 ATOM 7185 C C . ILE C 1 166 ? 24.597 42.008 -60.872 1.00 45.52 ? 233 ILE C C 1 ATOM 7186 O O . ILE C 1 166 ? 25.022 42.290 -59.750 1.00 45.61 ? 233 ILE C O 1 ATOM 7187 C CB . ILE C 1 166 ? 25.244 43.974 -62.231 1.00 45.17 ? 233 ILE C CB 1 ATOM 7188 C CG1 . ILE C 1 166 ? 24.771 44.967 -63.292 1.00 46.45 ? 233 ILE C CG1 1 ATOM 7189 C CG2 . ILE C 1 166 ? 26.409 43.114 -62.725 1.00 42.33 ? 233 ILE C CG2 1 ATOM 7190 C CD1 . ILE C 1 166 ? 25.791 45.996 -63.751 1.00 50.53 ? 233 ILE C CD1 1 ATOM 7191 N N . ASN C 1 167 ? 24.597 40.774 -61.367 1.00 45.02 ? 234 ASN C N 1 ATOM 7192 C CA . ASN C 1 167 ? 25.072 39.649 -60.572 1.00 47.88 ? 234 ASN C CA 1 ATOM 7193 C C . ASN C 1 167 ? 24.451 39.599 -59.181 1.00 46.39 ? 234 ASN C C 1 ATOM 7194 O O . ASN C 1 167 ? 25.117 39.347 -58.219 1.00 43.15 ? 234 ASN C O 1 ATOM 7195 C CB . ASN C 1 167 ? 26.616 39.665 -60.374 1.00 48.18 ? 234 ASN C CB 1 ATOM 7196 C CG . ASN C 1 167 ? 27.158 38.326 -59.800 1.00 54.95 ? 234 ASN C CG 1 ATOM 7197 O OD1 . ASN C 1 167 ? 26.665 37.250 -60.148 1.00 53.46 ? 234 ASN C OD1 1 ATOM 7198 N ND2 . ASN C 1 167 ? 28.145 38.395 -58.899 1.00 70.84 ? 234 ASN C ND2 1 ATOM 7199 N N . GLY C 1 168 ? 23.183 39.882 -59.074 1.00 46.47 ? 235 GLY C N 1 ATOM 7200 C CA . GLY C 1 168 ? 22.495 39.675 -57.800 1.00 43.79 ? 235 GLY C CA 1 ATOM 7201 C C . GLY C 1 168 ? 22.502 40.875 -56.892 1.00 44.48 ? 235 GLY C C 1 ATOM 7202 O O . GLY C 1 168 ? 21.814 40.886 -55.908 1.00 45.93 ? 235 GLY C O 1 ATOM 7203 N N . THR C 1 169 ? 23.255 41.912 -57.253 1.00 42.19 ? 236 THR C N 1 ATOM 7204 C CA . THR C 1 169 ? 23.232 43.160 -56.523 1.00 41.99 ? 236 THR C CA 1 ATOM 7205 C C . THR C 1 169 ? 22.490 44.253 -57.309 1.00 41.37 ? 236 THR C C 1 ATOM 7206 O O . THR C 1 169 ? 22.899 44.637 -58.406 1.00 42.61 ? 236 THR C O 1 ATOM 7207 C CB . THR C 1 169 ? 24.664 43.667 -56.234 1.00 40.34 ? 236 THR C CB 1 ATOM 7208 O OG1 . THR C 1 169 ? 25.313 42.724 -55.392 1.00 40.80 ? 236 THR C OG1 1 ATOM 7209 C CG2 . THR C 1 169 ? 24.623 44.959 -55.498 1.00 37.55 ? 236 THR C CG2 1 ATOM 7210 N N . CYS C 1 170 ? 21.476 44.797 -56.675 1.00 38.06 ? 237 CYS C N 1 ATOM 7211 C CA . CYS C 1 170 ? 20.679 45.859 -57.280 1.00 42.13 ? 237 CYS C CA 1 ATOM 7212 C C . CYS C 1 170 ? 21.004 47.190 -56.671 1.00 39.37 ? 237 CYS C C 1 ATOM 7213 O O . CYS C 1 170 ? 21.248 47.309 -55.476 1.00 39.56 ? 237 CYS C O 1 ATOM 7214 C CB . CYS C 1 170 ? 19.191 45.590 -57.101 1.00 41.93 ? 237 CYS C CB 1 ATOM 7215 S SG . CYS C 1 170 ? 18.654 43.933 -57.677 1.00 48.91 ? 237 CYS C SG 1 ATOM 7216 N N . THR C 1 171 ? 20.987 48.205 -57.509 1.00 36.85 ? 238 THR C N 1 ATOM 7217 C CA . THR C 1 171 ? 21.285 49.521 -57.061 1.00 37.16 ? 238 THR C CA 1 ATOM 7218 C C . THR C 1 171 ? 20.120 50.444 -57.367 1.00 39.73 ? 238 THR C C 1 ATOM 7219 O O . THR C 1 171 ? 19.447 50.305 -58.369 1.00 37.23 ? 238 THR C O 1 ATOM 7220 C CB . THR C 1 171 ? 22.600 50.045 -57.692 1.00 41.42 ? 238 THR C CB 1 ATOM 7221 O OG1 . THR C 1 171 ? 22.959 51.234 -57.009 1.00 48.86 ? 238 THR C OG1 1 ATOM 7222 C CG2 . THR C 1 171 ? 22.439 50.354 -59.152 1.00 39.57 ? 238 THR C CG2 1 ATOM 7223 N N . VAL C 1 172 ? 19.890 51.367 -56.452 1.00 40.03 ? 239 VAL C N 1 ATOM 7224 C CA . VAL C 1 172 ? 18.844 52.327 -56.539 1.00 42.48 ? 239 VAL C CA 1 ATOM 7225 C C . VAL C 1 172 ? 19.269 53.644 -55.855 1.00 44.92 ? 239 VAL C C 1 ATOM 7226 O O . VAL C 1 172 ? 19.919 53.619 -54.791 1.00 37.73 ? 239 VAL C O 1 ATOM 7227 C CB . VAL C 1 172 ? 17.528 51.808 -55.904 1.00 52.02 ? 239 VAL C CB 1 ATOM 7228 C CG1 . VAL C 1 172 ? 17.612 51.709 -54.401 1.00 51.90 ? 239 VAL C CG1 1 ATOM 7229 C CG2 . VAL C 1 172 ? 16.372 52.735 -56.249 1.00 59.08 ? 239 VAL C CG2 1 ATOM 7230 N N . VAL C 1 173 ? 18.851 54.761 -56.466 1.00 42.30 ? 240 VAL C N 1 ATOM 7231 C CA . VAL C 1 173 ? 19.188 56.061 -56.023 1.00 40.49 ? 240 VAL C CA 1 ATOM 7232 C C . VAL C 1 173 ? 18.005 56.650 -55.323 1.00 39.58 ? 240 VAL C C 1 ATOM 7233 O O . VAL C 1 173 ? 16.920 56.653 -55.855 1.00 40.88 ? 240 VAL C O 1 ATOM 7234 C CB . VAL C 1 173 ? 19.560 56.983 -57.194 1.00 36.78 ? 240 VAL C CB 1 ATOM 7235 C CG1 . VAL C 1 173 ? 20.054 58.309 -56.649 1.00 41.18 ? 240 VAL C CG1 1 ATOM 7236 C CG2 . VAL C 1 173 ? 20.678 56.395 -58.064 1.00 40.51 ? 240 VAL C CG2 1 ATOM 7237 N N . MET C 1 174 ? 18.258 57.240 -54.159 1.00 42.12 ? 241 MET C N 1 ATOM 7238 C CA . MET C 1 174 ? 17.215 57.846 -53.318 1.00 42.45 ? 241 MET C CA 1 ATOM 7239 C C . MET C 1 174 ? 17.659 59.212 -52.828 1.00 39.56 ? 241 MET C C 1 ATOM 7240 O O . MET C 1 174 ? 18.806 59.444 -52.562 1.00 48.28 ? 241 MET C O 1 ATOM 7241 C CB . MET C 1 174 ? 16.919 56.961 -52.118 1.00 43.94 ? 241 MET C CB 1 ATOM 7242 C CG . MET C 1 174 ? 16.449 55.553 -52.454 1.00 46.98 ? 241 MET C CG 1 ATOM 7243 S SD . MET C 1 174 ? 15.675 54.685 -51.047 1.00 51.08 ? 241 MET C SD 1 ATOM 7244 C CE . MET C 1 174 ? 14.001 55.325 -51.022 1.00 53.18 ? 241 MET C CE 1 ATOM 7245 N N . THR C 1 175 ? 16.729 60.123 -52.717 1.00 43.31 ? 242 THR C N 1 ATOM 7246 C CA . THR C 1 175 ? 16.991 61.450 -52.237 1.00 41.88 ? 242 THR C CA 1 ATOM 7247 C C . THR C 1 175 ? 15.985 61.753 -51.134 1.00 42.54 ? 242 THR C C 1 ATOM 7248 O O . THR C 1 175 ? 14.793 61.478 -51.252 1.00 42.84 ? 242 THR C O 1 ATOM 7249 C CB . THR C 1 175 ? 16.895 62.477 -53.369 1.00 47.94 ? 242 THR C CB 1 ATOM 7250 O OG1 . THR C 1 175 ? 17.886 62.170 -54.344 1.00 45.95 ? 242 THR C OG1 1 ATOM 7251 C CG2 . THR C 1 175 ? 17.180 63.919 -52.852 1.00 51.23 ? 242 THR C CG2 1 ATOM 7252 N N . ASP C 1 176 ? 16.481 62.262 -50.024 1.00 43.44 ? 243 ASP C N 1 ATOM 7253 C CA . ASP C 1 176 ? 15.633 62.721 -48.909 1.00 38.91 ? 243 ASP C CA 1 ATOM 7254 C C . ASP C 1 176 ? 15.799 64.243 -49.018 1.00 42.25 ? 243 ASP C C 1 ATOM 7255 O O . ASP C 1 176 ? 16.866 64.778 -48.778 1.00 42.87 ? 243 ASP C O 1 ATOM 7256 C CB . ASP C 1 176 ? 16.075 62.100 -47.581 1.00 42.88 ? 243 ASP C CB 1 ATOM 7257 C CG . ASP C 1 176 ? 15.020 62.253 -46.452 1.00 48.97 ? 243 ASP C CG 1 ATOM 7258 O OD1 . ASP C 1 176 ? 14.303 63.277 -46.388 1.00 52.19 ? 243 ASP C OD1 1 ATOM 7259 O OD2 . ASP C 1 176 ? 14.943 61.352 -45.593 1.00 51.30 ? 243 ASP C OD2 1 ATOM 7260 N N . GLY C 1 177 ? 14.788 64.904 -49.572 1.00 50.40 ? 244 GLY C N 1 ATOM 7261 C CA . GLY C 1 177 ? 14.896 66.303 -50.012 1.00 50.23 ? 244 GLY C CA 1 ATOM 7262 C C . GLY C 1 177 ? 13.615 67.119 -49.878 1.00 48.80 ? 244 GLY C C 1 ATOM 7263 O O . GLY C 1 177 ? 12.543 66.594 -49.548 1.00 55.61 ? 244 GLY C O 1 ATOM 7264 N N . SER C 1 178 ? 13.724 68.405 -50.120 1.00 50.38 ? 245 SER C N 1 ATOM 7265 C CA . SER C 1 178 ? 12.634 69.332 -49.840 1.00 60.46 ? 245 SER C CA 1 ATOM 7266 C C . SER C 1 178 ? 12.760 70.481 -50.796 1.00 59.62 ? 245 SER C C 1 ATOM 7267 O O . SER C 1 178 ? 13.814 70.694 -51.427 1.00 59.31 ? 245 SER C O 1 ATOM 7268 C CB . SER C 1 178 ? 12.662 69.836 -48.367 1.00 62.38 ? 245 SER C CB 1 ATOM 7269 O OG . SER C 1 178 ? 13.778 70.703 -48.149 1.00 76.82 ? 245 SER C OG 1 ATOM 7270 N N . ALA C 1 179 ? 11.640 71.199 -50.904 1.00 64.68 ? 246 ALA C N 1 ATOM 7271 C CA . ALA C 1 179 ? 11.470 72.364 -51.786 1.00 60.19 ? 246 ALA C CA 1 ATOM 7272 C C . ALA C 1 179 ? 12.503 73.475 -51.548 1.00 64.63 ? 246 ALA C C 1 ATOM 7273 O O . ALA C 1 179 ? 12.827 74.176 -52.479 1.00 75.66 ? 246 ALA C O 1 ATOM 7274 C CB . ALA C 1 179 ? 10.067 72.906 -51.645 1.00 56.66 ? 246 ALA C CB 1 ATOM 7275 N N . SER C 1 180 ? 13.070 73.581 -50.336 1.00 62.67 ? 247 SER C N 1 ATOM 7276 C CA . SER C 1 180 ? 14.145 74.565 -50.048 1.00 65.72 ? 247 SER C CA 1 ATOM 7277 C C . SER C 1 180 ? 15.541 74.319 -50.672 1.00 66.50 ? 247 SER C C 1 ATOM 7278 O O . SER C 1 180 ? 16.545 74.764 -50.090 1.00 74.80 ? 247 SER C O 1 ATOM 7279 C CB . SER C 1 180 ? 14.345 74.696 -48.527 1.00 66.25 ? 247 SER C CB 1 ATOM 7280 O OG . SER C 1 180 ? 14.901 73.510 -47.985 1.00 70.23 ? 247 SER C OG 1 ATOM 7281 N N . GLY C 1 181 ? 15.604 73.612 -51.806 1.00 59.84 ? 248 GLY C N 1 ATOM 7282 C CA . GLY C 1 181 ? 16.847 73.183 -52.442 1.00 66.21 ? 248 GLY C CA 1 ATOM 7283 C C . GLY C 1 181 ? 17.702 72.127 -51.716 1.00 62.99 ? 248 GLY C C 1 ATOM 7284 O O . GLY C 1 181 ? 18.810 71.780 -52.134 1.00 62.23 ? 248 GLY C O 1 ATOM 7285 N N . ARG C 1 182 ? 17.163 71.586 -50.641 1.00 59.24 ? 249 ARG C N 1 ATOM 7286 C CA . ARG C 1 182 ? 17.855 70.616 -49.815 1.00 66.14 ? 249 ARG C CA 1 ATOM 7287 C C . ARG C 1 182 ? 17.715 69.202 -50.419 1.00 61.88 ? 249 ARG C C 1 ATOM 7288 O O . ARG C 1 182 ? 16.648 68.822 -50.854 1.00 50.91 ? 249 ARG C O 1 ATOM 7289 C CB . ARG C 1 182 ? 17.243 70.710 -48.414 1.00 72.74 ? 249 ARG C CB 1 ATOM 7290 C CG . ARG C 1 182 ? 17.531 69.563 -47.478 1.00 75.73 ? 249 ARG C CG 1 ATOM 7291 C CD . ARG C 1 182 ? 18.955 69.651 -46.992 1.00 80.15 ? 249 ARG C CD 1 ATOM 7292 N NE . ARG C 1 182 ? 19.268 68.439 -46.223 1.00 90.23 ? 249 ARG C NE 1 ATOM 7293 C CZ . ARG C 1 182 ? 20.375 67.699 -46.336 1.00 105.49 ? 249 ARG C CZ 1 ATOM 7294 N NH1 . ARG C 1 182 ? 21.363 68.036 -47.172 1.00 100.06 ? 249 ARG C NH1 1 ATOM 7295 N NH2 . ARG C 1 182 ? 20.510 66.614 -45.568 1.00 111.27 ? 249 ARG C NH2 1 ATOM 7296 N N . ALA C 1 183 ? 18.811 68.451 -50.501 1.00 56.20 ? 250 ALA C N 1 ATOM 7297 C CA . ALA C 1 183 ? 18.758 67.156 -51.117 1.00 54.20 ? 250 ALA C CA 1 ATOM 7298 C C . ALA C 1 183 ? 19.861 66.264 -50.543 1.00 54.24 ? 250 ALA C C 1 ATOM 7299 O O . ALA C 1 183 ? 21.004 66.506 -50.822 1.00 50.59 ? 250 ALA C O 1 ATOM 7300 C CB . ALA C 1 183 ? 18.974 67.351 -52.608 1.00 47.17 ? 250 ALA C CB 1 ATOM 7301 N N . ASP C 1 184 ? 19.537 65.249 -49.742 1.00 47.98 ? 251 ASP C N 1 ATOM 7302 C CA . ASP C 1 184 ? 20.533 64.307 -49.281 1.00 46.02 ? 251 ASP C CA 1 ATOM 7303 C C . ASP C 1 184 ? 20.340 63.034 -50.088 1.00 44.94 ? 251 ASP C C 1 ATOM 7304 O O . ASP C 1 184 ? 19.406 62.275 -49.842 1.00 38.58 ? 251 ASP C O 1 ATOM 7305 C CB . ASP C 1 184 ? 20.412 64.088 -47.754 1.00 53.32 ? 251 ASP C CB 1 ATOM 7306 C CG . ASP C 1 184 ? 21.452 63.100 -47.205 1.00 57.79 ? 251 ASP C CG 1 ATOM 7307 O OD1 . ASP C 1 184 ? 21.966 62.224 -47.945 1.00 66.18 ? 251 ASP C OD1 1 ATOM 7308 O OD2 . ASP C 1 184 ? 21.785 63.208 -46.016 1.00 63.94 ? 251 ASP C OD2 1 ATOM 7309 N N . THR C 1 185 ? 21.238 62.819 -51.045 1.00 42.09 ? 252 THR C N 1 ATOM 7310 C CA . THR C 1 185 ? 21.145 61.760 -51.998 1.00 40.19 ? 252 THR C CA 1 ATOM 7311 C C . THR C 1 185 ? 22.043 60.595 -51.594 1.00 41.29 ? 252 THR C C 1 ATOM 7312 O O . THR C 1 185 ? 23.190 60.801 -51.286 1.00 43.88 ? 252 THR C O 1 ATOM 7313 C CB . THR C 1 185 ? 21.510 62.253 -53.412 1.00 40.97 ? 252 THR C CB 1 ATOM 7314 O OG1 . THR C 1 185 ? 20.527 63.194 -53.802 1.00 37.65 ? 252 THR C OG1 1 ATOM 7315 C CG2 . THR C 1 185 ? 21.504 61.125 -54.433 1.00 39.14 ? 252 THR C CG2 1 ATOM 7316 N N . ARG C 1 186 ? 21.491 59.372 -51.630 1.00 41.76 ? 253 ARG C N 1 ATOM 7317 C CA . ARG C 1 186 ? 22.224 58.149 -51.294 1.00 42.82 ? 253 ARG C CA 1 ATOM 7318 C C . ARG C 1 186 ? 21.948 57.063 -52.285 1.00 40.74 ? 253 ARG C C 1 ATOM 7319 O O . ARG C 1 186 ? 20.879 56.992 -52.838 1.00 40.17 ? 253 ARG C O 1 ATOM 7320 C CB . ARG C 1 186 ? 21.881 57.691 -49.889 1.00 44.35 ? 253 ARG C CB 1 ATOM 7321 C CG . ARG C 1 186 ? 22.279 58.776 -48.895 1.00 53.79 ? 253 ARG C CG 1 ATOM 7322 C CD . ARG C 1 186 ? 22.329 58.378 -47.459 1.00 60.69 ? 253 ARG C CD 1 ATOM 7323 N NE . ARG C 1 186 ? 22.506 59.562 -46.624 1.00 70.81 ? 253 ARG C NE 1 ATOM 7324 C CZ . ARG C 1 186 ? 22.470 59.562 -45.282 1.00 76.87 ? 253 ARG C CZ 1 ATOM 7325 N NH1 . ARG C 1 186 ? 22.307 58.445 -44.569 1.00 64.67 ? 253 ARG C NH1 1 ATOM 7326 N NH2 . ARG C 1 186 ? 22.584 60.720 -44.645 1.00 79.18 ? 253 ARG C NH2 1 ATOM 7327 N N . ILE C 1 187 ? 22.950 56.242 -52.510 1.00 39.58 ? 254 ILE C N 1 ATOM 7328 C CA . ILE C 1 187 ? 22.884 55.153 -53.418 1.00 37.50 ? 254 ILE C CA 1 ATOM 7329 C C . ILE C 1 187 ? 22.910 53.877 -52.587 1.00 39.55 ? 254 ILE C C 1 ATOM 7330 O O . ILE C 1 187 ? 23.879 53.578 -51.864 1.00 38.69 ? 254 ILE C O 1 ATOM 7331 C CB . ILE C 1 187 ? 24.039 55.156 -54.437 1.00 37.60 ? 254 ILE C CB 1 ATOM 7332 C CG1 . ILE C 1 187 ? 23.940 56.352 -55.377 1.00 41.54 ? 254 ILE C CG1 1 ATOM 7333 C CG2 . ILE C 1 187 ? 23.984 53.931 -55.330 1.00 37.19 ? 254 ILE C CG2 1 ATOM 7334 C CD1 . ILE C 1 187 ? 24.442 57.656 -54.767 1.00 47.11 ? 254 ILE C CD1 1 ATOM 7335 N N . LEU C 1 188 ? 21.836 53.101 -52.734 1.00 39.48 ? 255 LEU C N 1 ATOM 7336 C CA . LEU C 1 188 ? 21.677 51.852 -52.016 1.00 36.18 ? 255 LEU C CA 1 ATOM 7337 C C . LEU C 1 188 ? 22.064 50.659 -52.890 1.00 36.14 ? 255 LEU C C 1 ATOM 7338 O O . LEU C 1 188 ? 21.803 50.638 -54.086 1.00 40.38 ? 255 LEU C O 1 ATOM 7339 C CB . LEU C 1 188 ? 20.263 51.709 -51.573 1.00 37.26 ? 255 LEU C CB 1 ATOM 7340 C CG . LEU C 1 188 ? 19.894 52.576 -50.400 1.00 42.05 ? 255 LEU C CG 1 ATOM 7341 C CD1 . LEU C 1 188 ? 19.794 54.027 -50.748 1.00 42.52 ? 255 LEU C CD1 1 ATOM 7342 C CD2 . LEU C 1 188 ? 18.522 52.109 -49.894 1.00 50.76 ? 255 LEU C CD2 1 ATOM 7343 N N . PHE C 1 189 ? 22.605 49.647 -52.227 1.00 36.12 ? 256 PHE C N 1 ATOM 7344 C CA . PHE C 1 189 ? 22.985 48.375 -52.812 1.00 36.24 ? 256 PHE C CA 1 ATOM 7345 C C . PHE C 1 189 ? 22.280 47.290 -52.079 1.00 39.15 ? 256 PHE C C 1 ATOM 7346 O O . PHE C 1 189 ? 22.340 47.214 -50.854 1.00 42.04 ? 256 PHE C O 1 ATOM 7347 C CB . PHE C 1 189 ? 24.482 48.174 -52.683 1.00 39.60 ? 256 PHE C CB 1 ATOM 7348 C CG . PHE C 1 189 ? 25.287 49.239 -53.393 1.00 39.82 ? 256 PHE C CG 1 ATOM 7349 C CD1 . PHE C 1 189 ? 25.613 50.400 -52.750 1.00 37.35 ? 256 PHE C CD1 1 ATOM 7350 C CD2 . PHE C 1 189 ? 25.664 49.062 -54.726 1.00 38.42 ? 256 PHE C CD2 1 ATOM 7351 C CE1 . PHE C 1 189 ? 26.305 51.379 -53.425 1.00 42.40 ? 256 PHE C CE1 1 ATOM 7352 C CE2 . PHE C 1 189 ? 26.376 50.032 -55.392 1.00 43.86 ? 256 PHE C CE2 1 ATOM 7353 C CZ . PHE C 1 189 ? 26.703 51.209 -54.730 1.00 42.43 ? 256 PHE C CZ 1 ATOM 7354 N N . ILE C 1 190 ? 21.558 46.479 -52.838 1.00 42.87 ? 257 ILE C N 1 ATOM 7355 C CA . ILE C 1 190 ? 20.578 45.589 -52.279 1.00 42.40 ? 257 ILE C CA 1 ATOM 7356 C C . ILE C 1 190 ? 20.718 44.174 -52.883 1.00 44.82 ? 257 ILE C C 1 ATOM 7357 O O . ILE C 1 190 ? 20.803 44.006 -54.090 1.00 47.09 ? 257 ILE C O 1 ATOM 7358 C CB . ILE C 1 190 ? 19.196 46.124 -52.570 1.00 44.27 ? 257 ILE C CB 1 ATOM 7359 C CG1 . ILE C 1 190 ? 19.054 47.471 -51.928 1.00 46.76 ? 257 ILE C CG1 1 ATOM 7360 C CG2 . ILE C 1 190 ? 18.109 45.206 -51.992 1.00 44.90 ? 257 ILE C CG2 1 ATOM 7361 C CD1 . ILE C 1 190 ? 18.062 48.344 -52.613 1.00 50.47 ? 257 ILE C CD1 1 ATOM 7362 N N . LYS C 1 191 ? 20.695 43.173 -52.019 1.00 45.94 ? 258 LYS C N 1 ATOM 7363 C CA . LYS C 1 191 ? 20.940 41.785 -52.399 1.00 47.40 ? 258 LYS C CA 1 ATOM 7364 C C . LYS C 1 191 ? 19.802 40.956 -51.853 1.00 45.72 ? 258 LYS C C 1 ATOM 7365 O O . LYS C 1 191 ? 19.637 40.868 -50.632 1.00 40.86 ? 258 LYS C O 1 ATOM 7366 C CB . LYS C 1 191 ? 22.244 41.326 -51.808 1.00 54.45 ? 258 LYS C CB 1 ATOM 7367 C CG . LYS C 1 191 ? 22.987 40.370 -52.707 1.00 72.42 ? 258 LYS C CG 1 ATOM 7368 C CD . LYS C 1 191 ? 24.352 40.001 -52.141 1.00 75.55 ? 258 LYS C CD 1 ATOM 7369 C CE . LYS C 1 191 ? 25.297 41.184 -52.209 1.00 78.81 ? 258 LYS C CE 1 ATOM 7370 N NZ . LYS C 1 191 ? 26.726 40.795 -51.980 1.00 84.08 ? 258 LYS C NZ 1 ATOM 7371 N N . GLU C 1 192 ? 18.966 40.438 -52.760 1.00 40.98 ? 259 GLU C N 1 ATOM 7372 C CA . GLU C 1 192 ? 17.764 39.700 -52.409 1.00 47.55 ? 259 GLU C CA 1 ATOM 7373 C C . GLU C 1 192 ? 16.880 40.466 -51.433 1.00 45.42 ? 259 GLU C C 1 ATOM 7374 O O . GLU C 1 192 ? 16.395 39.923 -50.463 1.00 45.97 ? 259 GLU C O 1 ATOM 7375 C CB . GLU C 1 192 ? 18.143 38.358 -51.792 1.00 53.95 ? 259 GLU C CB 1 ATOM 7376 C CG . GLU C 1 192 ? 18.699 37.356 -52.790 1.00 61.48 ? 259 GLU C CG 1 ATOM 7377 C CD . GLU C 1 192 ? 19.010 36.021 -52.106 1.00 72.28 ? 259 GLU C CD 1 ATOM 7378 O OE1 . GLU C 1 192 ? 20.006 35.927 -51.335 1.00 73.50 ? 259 GLU C OE1 1 ATOM 7379 O OE2 . GLU C 1 192 ? 18.232 35.069 -52.328 1.00 72.26 ? 259 GLU C OE2 1 ATOM 7380 N N . GLY C 1 193 ? 16.741 41.752 -51.696 1.00 45.84 ? 260 GLY C N 1 ATOM 7381 C CA . GLY C 1 193 ? 15.961 42.641 -50.893 1.00 44.35 ? 260 GLY C CA 1 ATOM 7382 C C . GLY C 1 193 ? 16.568 43.196 -49.616 1.00 49.47 ? 260 GLY C C 1 ATOM 7383 O O . GLY C 1 193 ? 15.961 44.074 -49.023 1.00 48.23 ? 260 GLY C O 1 ATOM 7384 N N . LYS C 1 194 ? 17.742 42.708 -49.213 1.00 46.73 ? 261 LYS C N 1 ATOM 7385 C CA . LYS C 1 194 ? 18.468 43.233 -48.054 1.00 53.81 ? 261 LYS C CA 1 ATOM 7386 C C . LYS C 1 194 ? 19.419 44.335 -48.471 1.00 47.42 ? 261 LYS C C 1 ATOM 7387 O O . LYS C 1 194 ? 20.245 44.165 -49.372 1.00 50.04 ? 261 LYS C O 1 ATOM 7388 C CB . LYS C 1 194 ? 19.372 42.164 -47.385 1.00 59.59 ? 261 LYS C CB 1 ATOM 7389 C CG . LYS C 1 194 ? 18.708 40.877 -46.998 1.00 71.25 ? 261 LYS C CG 1 ATOM 7390 C CD . LYS C 1 194 ? 17.739 40.996 -45.847 1.00 81.38 ? 261 LYS C CD 1 ATOM 7391 C CE . LYS C 1 194 ? 16.983 39.666 -45.705 1.00 83.66 ? 261 LYS C CE 1 ATOM 7392 N NZ . LYS C 1 194 ? 15.981 39.757 -44.616 1.00 81.86 ? 261 LYS C NZ 1 ATOM 7393 N N . ILE C 1 195 ? 19.380 45.425 -47.743 1.00 43.11 ? 262 ILE C N 1 ATOM 7394 C CA . ILE C 1 195 ? 20.328 46.498 -47.963 1.00 45.01 ? 262 ILE C CA 1 ATOM 7395 C C . ILE C 1 195 ? 21.680 46.088 -47.449 1.00 47.66 ? 262 ILE C C 1 ATOM 7396 O O . ILE C 1 195 ? 21.822 45.838 -46.284 1.00 41.04 ? 262 ILE C O 1 ATOM 7397 C CB . ILE C 1 195 ? 19.910 47.744 -47.216 1.00 46.40 ? 262 ILE C CB 1 ATOM 7398 C CG1 . ILE C 1 195 ? 18.539 48.162 -47.727 1.00 55.39 ? 262 ILE C CG1 1 ATOM 7399 C CG2 . ILE C 1 195 ? 20.897 48.846 -47.471 1.00 48.20 ? 262 ILE C CG2 1 ATOM 7400 C CD1 . ILE C 1 195 ? 17.869 49.214 -46.885 1.00 57.49 ? 262 ILE C CD1 1 ATOM 7401 N N . VAL C 1 196 ? 22.675 46.004 -48.318 1.00 47.39 ? 263 VAL C N 1 ATOM 7402 C CA . VAL C 1 196 ? 23.975 45.559 -47.854 1.00 49.58 ? 263 VAL C CA 1 ATOM 7403 C C . VAL C 1 196 ? 24.939 46.711 -47.716 1.00 52.40 ? 263 VAL C C 1 ATOM 7404 O O . VAL C 1 196 ? 25.961 46.551 -47.092 1.00 51.32 ? 263 VAL C O 1 ATOM 7405 C CB . VAL C 1 196 ? 24.597 44.425 -48.711 1.00 50.76 ? 263 VAL C CB 1 ATOM 7406 C CG1 . VAL C 1 196 ? 23.730 43.178 -48.621 1.00 52.36 ? 263 VAL C CG1 1 ATOM 7407 C CG2 . VAL C 1 196 ? 24.787 44.834 -50.161 1.00 52.16 ? 263 VAL C CG2 1 ATOM 7408 N N . HIS C 1 197 ? 24.651 47.849 -48.341 1.00 47.10 ? 264 HIS C N 1 ATOM 7409 C CA . HIS C 1 197 ? 25.524 49.004 -48.239 1.00 42.84 ? 264 HIS C CA 1 ATOM 7410 C C . HIS C 1 197 ? 24.775 50.231 -48.719 1.00 44.73 ? 264 HIS C C 1 ATOM 7411 O O . HIS C 1 197 ? 23.934 50.140 -49.633 1.00 40.83 ? 264 HIS C O 1 ATOM 7412 C CB . HIS C 1 197 ? 26.796 48.799 -49.116 1.00 46.25 ? 264 HIS C CB 1 ATOM 7413 C CG . HIS C 1 197 ? 27.884 49.787 -48.848 1.00 52.58 ? 264 HIS C CG 1 ATOM 7414 N ND1 . HIS C 1 197 ? 28.063 50.937 -49.605 1.00 56.92 ? 264 HIS C ND1 1 ATOM 7415 C CD2 . HIS C 1 197 ? 28.824 49.823 -47.884 1.00 51.97 ? 264 HIS C CD2 1 ATOM 7416 C CE1 . HIS C 1 197 ? 29.060 51.639 -49.112 1.00 51.59 ? 264 HIS C CE1 1 ATOM 7417 N NE2 . HIS C 1 197 ? 29.527 50.992 -48.062 1.00 57.33 ? 264 HIS C NE2 1 ATOM 7418 N N . ILE C 1 198 ? 25.153 51.382 -48.171 1.00 41.85 ? 265 ILE C N 1 ATOM 7419 C CA . ILE C 1 198 ? 24.678 52.686 -48.616 1.00 43.29 ? 265 ILE C CA 1 ATOM 7420 C C . ILE C 1 198 ? 25.833 53.661 -48.832 1.00 44.28 ? 265 ILE C C 1 ATOM 7421 O O . ILE C 1 198 ? 26.645 53.848 -47.941 1.00 47.61 ? 265 ILE C O 1 ATOM 7422 C CB . ILE C 1 198 ? 23.756 53.280 -47.566 1.00 41.51 ? 265 ILE C CB 1 ATOM 7423 C CG1 . ILE C 1 198 ? 22.652 52.269 -47.274 1.00 46.88 ? 265 ILE C CG1 1 ATOM 7424 C CG2 . ILE C 1 198 ? 23.189 54.595 -48.077 1.00 43.50 ? 265 ILE C CG2 1 ATOM 7425 C CD1 . ILE C 1 198 ? 21.464 52.822 -46.514 1.00 45.78 ? 265 ILE C CD1 1 ATOM 7426 N N . SER C 1 199 ? 25.934 54.254 -50.015 1.00 42.26 ? 266 SER C N 1 ATOM 7427 C CA . SER C 1 199 ? 27.024 55.185 -50.293 1.00 43.80 ? 266 SER C CA 1 ATOM 7428 C C . SER C 1 199 ? 26.427 56.566 -50.453 1.00 45.93 ? 266 SER C C 1 ATOM 7429 O O . SER C 1 199 ? 25.424 56.726 -51.120 1.00 43.48 ? 266 SER C O 1 ATOM 7430 C CB . SER C 1 199 ? 27.778 54.858 -51.591 1.00 41.14 ? 266 SER C CB 1 ATOM 7431 O OG . SER C 1 199 ? 28.400 53.614 -51.514 1.00 43.96 ? 266 SER C OG 1 ATOM 7432 N N . PRO C 1 200 ? 27.082 57.574 -49.893 1.00 53.56 ? 267 PRO C N 1 ATOM 7433 C CA . PRO C 1 200 ? 26.679 58.934 -50.239 1.00 51.53 ? 267 PRO C CA 1 ATOM 7434 C C . PRO C 1 200 ? 27.013 59.310 -51.716 1.00 49.82 ? 267 PRO C C 1 ATOM 7435 O O . PRO C 1 200 ? 27.961 58.814 -52.319 1.00 51.88 ? 267 PRO C O 1 ATOM 7436 C CB . PRO C 1 200 ? 27.510 59.789 -49.264 1.00 53.37 ? 267 PRO C CB 1 ATOM 7437 C CG . PRO C 1 200 ? 28.797 58.995 -49.101 1.00 59.52 ? 267 PRO C CG 1 ATOM 7438 C CD . PRO C 1 200 ? 28.416 57.528 -49.237 1.00 56.22 ? 267 PRO C CD 1 ATOM 7439 N N . LEU C 1 201 ? 26.261 60.241 -52.251 1.00 49.18 ? 268 LEU C N 1 ATOM 7440 C CA . LEU C 1 201 ? 26.623 60.855 -53.502 1.00 48.43 ? 268 LEU C CA 1 ATOM 7441 C C . LEU C 1 201 ? 27.963 61.558 -53.416 1.00 50.44 ? 268 LEU C C 1 ATOM 7442 O O . LEU C 1 201 ? 28.276 62.209 -52.448 1.00 51.52 ? 268 LEU C O 1 ATOM 7443 C CB . LEU C 1 201 ? 25.617 61.896 -53.871 1.00 50.49 ? 268 LEU C CB 1 ATOM 7444 C CG . LEU C 1 201 ? 25.930 62.646 -55.161 1.00 49.50 ? 268 LEU C CG 1 ATOM 7445 C CD1 . LEU C 1 201 ? 25.793 61.720 -56.350 1.00 44.52 ? 268 LEU C CD1 1 ATOM 7446 C CD2 . LEU C 1 201 ? 24.975 63.846 -55.297 1.00 49.15 ? 268 LEU C CD2 1 ATOM 7447 N N . SER C 1 202 ? 28.735 61.463 -54.469 1.00 51.42 ? 269 SER C N 1 ATOM 7448 C CA . SER C 1 202 ? 30.015 62.108 -54.534 1.00 44.60 ? 269 SER C CA 1 ATOM 7449 C C . SER C 1 202 ? 30.243 62.620 -55.986 1.00 46.19 ? 269 SER C C 1 ATOM 7450 O O . SER C 1 202 ? 29.536 62.223 -56.934 1.00 46.43 ? 269 SER C O 1 ATOM 7451 C CB . SER C 1 202 ? 30.974 61.027 -54.120 1.00 53.27 ? 269 SER C CB 1 ATOM 7452 O OG . SER C 1 202 ? 32.269 61.505 -54.111 1.00 55.61 ? 269 SER C OG 1 ATOM 7453 N N . GLY C 1 203 ? 31.194 63.526 -56.169 1.00 47.82 ? 270 GLY C N 1 ATOM 7454 C CA . GLY C 1 203 ? 31.472 64.151 -57.474 1.00 46.43 ? 270 GLY C CA 1 ATOM 7455 C C . GLY C 1 203 ? 30.840 65.551 -57.578 1.00 47.96 ? 270 GLY C C 1 ATOM 7456 O O . GLY C 1 203 ? 30.622 66.197 -56.588 1.00 50.58 ? 270 GLY C O 1 ATOM 7457 N N . SER C 1 204 ? 30.566 66.048 -58.774 1.00 50.38 ? 271 SER C N 1 ATOM 7458 C CA . SER C 1 204 ? 30.175 67.470 -58.911 1.00 49.28 ? 271 SER C CA 1 ATOM 7459 C C . SER C 1 204 ? 28.680 67.737 -59.172 1.00 45.91 ? 271 SER C C 1 ATOM 7460 O O . SER C 1 204 ? 28.272 68.863 -59.276 1.00 48.45 ? 271 SER C O 1 ATOM 7461 C CB . SER C 1 204 ? 31.038 68.144 -60.001 1.00 50.31 ? 271 SER C CB 1 ATOM 7462 O OG . SER C 1 204 ? 30.918 67.546 -61.276 1.00 56.70 ? 271 SER C OG 1 ATOM 7463 N N . ALA C 1 205 ? 27.869 66.700 -59.256 1.00 45.44 ? 272 ALA C N 1 ATOM 7464 C CA . ALA C 1 205 ? 26.434 66.866 -59.419 1.00 51.57 ? 272 ALA C CA 1 ATOM 7465 C C . ALA C 1 205 ? 25.850 67.423 -58.130 1.00 51.41 ? 272 ALA C C 1 ATOM 7466 O O . ALA C 1 205 ? 26.210 66.993 -57.065 1.00 44.27 ? 272 ALA C O 1 ATOM 7467 C CB . ALA C 1 205 ? 25.769 65.539 -59.725 1.00 51.09 ? 272 ALA C CB 1 ATOM 7468 N N . GLN C 1 206 ? 24.894 68.325 -58.223 1.00 58.04 ? 273 GLN C N 1 ATOM 7469 C CA . GLN C 1 206 ? 24.508 69.021 -57.020 1.00 62.98 ? 273 GLN C CA 1 ATOM 7470 C C . GLN C 1 206 ? 23.141 68.764 -56.453 1.00 64.55 ? 273 GLN C C 1 ATOM 7471 O O . GLN C 1 206 ? 22.983 68.881 -55.236 1.00 82.83 ? 273 GLN C O 1 ATOM 7472 C CB . GLN C 1 206 ? 24.750 70.523 -57.192 1.00 66.95 ? 273 GLN C CB 1 ATOM 7473 C CG . GLN C 1 206 ? 26.214 70.862 -56.990 1.00 71.54 ? 273 GLN C CG 1 ATOM 7474 C CD . GLN C 1 206 ? 26.505 72.280 -57.356 1.00 71.69 ? 273 GLN C CD 1 ATOM 7475 O OE1 . GLN C 1 206 ? 27.464 72.568 -58.081 1.00 77.33 ? 273 GLN C OE1 1 ATOM 7476 N NE2 . GLN C 1 206 ? 25.681 73.181 -56.872 1.00 69.43 ? 273 GLN C NE2 1 ATOM 7477 N N . HIS C 1 207 ? 22.137 68.529 -57.281 1.00 51.56 ? 274 HIS C N 1 ATOM 7478 C CA . HIS C 1 207 ? 20.786 68.380 -56.729 1.00 55.43 ? 274 HIS C CA 1 ATOM 7479 C C . HIS C 1 207 ? 20.423 67.270 -57.687 1.00 69.65 ? 274 HIS C C 1 ATOM 7480 O O . HIS C 1 207 ? 20.772 67.354 -58.888 1.00 87.98 ? 274 HIS C O 1 ATOM 7481 C CB . HIS C 1 207 ? 19.883 69.643 -56.885 1.00 55.01 ? 274 HIS C CB 1 ATOM 7482 C CG . HIS C 1 207 ? 20.479 70.884 -56.289 1.00 55.83 ? 274 HIS C CG 1 ATOM 7483 N ND1 . HIS C 1 207 ? 20.176 71.325 -55.017 1.00 55.32 ? 274 HIS C ND1 1 ATOM 7484 C CD2 . HIS C 1 207 ? 21.412 71.745 -56.771 1.00 57.01 ? 274 HIS C CD2 1 ATOM 7485 C CE1 . HIS C 1 207 ? 20.898 72.391 -54.730 1.00 50.74 ? 274 HIS C CE1 1 ATOM 7486 N NE2 . HIS C 1 207 ? 21.660 72.665 -55.777 1.00 59.17 ? 274 HIS C NE2 1 ATOM 7487 N N . ILE C 1 208 ? 19.927 66.174 -57.139 1.00 51.54 ? 275 ILE C N 1 ATOM 7488 C CA . ILE C 1 208 ? 19.597 65.005 -57.879 1.00 46.78 ? 275 ILE C CA 1 ATOM 7489 C C . ILE C 1 208 ? 18.245 64.510 -57.470 1.00 46.27 ? 275 ILE C C 1 ATOM 7490 O O . ILE C 1 208 ? 17.965 64.293 -56.284 1.00 45.38 ? 275 ILE C O 1 ATOM 7491 C CB . ILE C 1 208 ? 20.545 63.868 -57.542 1.00 51.28 ? 275 ILE C CB 1 ATOM 7492 C CG1 . ILE C 1 208 ? 21.980 64.238 -57.942 1.00 51.17 ? 275 ILE C CG1 1 ATOM 7493 C CG2 . ILE C 1 208 ? 20.076 62.558 -58.159 1.00 54.25 ? 275 ILE C CG2 1 ATOM 7494 C CD1 . ILE C 1 208 ? 22.439 63.759 -59.270 1.00 58.52 ? 275 ILE C CD1 1 ATOM 7495 N N . GLU C 1 209 ? 17.435 64.264 -58.491 1.00 47.36 ? 276 GLU C N 1 ATOM 7496 C CA . GLU C 1 209 ? 16.102 63.703 -58.346 1.00 49.84 ? 276 GLU C CA 1 ATOM 7497 C C . GLU C 1 209 ? 15.894 62.710 -59.503 1.00 47.71 ? 276 GLU C C 1 ATOM 7498 O O . GLU C 1 209 ? 16.405 62.920 -60.652 1.00 44.64 ? 276 GLU C O 1 ATOM 7499 C CB . GLU C 1 209 ? 15.070 64.826 -58.500 1.00 60.52 ? 276 GLU C CB 1 ATOM 7500 C CG . GLU C 1 209 ? 14.327 65.281 -57.252 1.00 75.47 ? 276 GLU C CG 1 ATOM 7501 C CD . GLU C 1 209 ? 12.891 65.849 -57.540 1.00 96.67 ? 276 GLU C CD 1 ATOM 7502 O OE1 . GLU C 1 209 ? 12.636 66.482 -58.607 1.00 83.94 ? 276 GLU C OE1 1 ATOM 7503 O OE2 . GLU C 1 209 ? 11.973 65.660 -56.691 1.00 105.60 ? 276 GLU C OE2 1 ATOM 7504 N N . GLU C 1 210 ? 15.065 61.696 -59.245 1.00 38.74 ? 277 GLU C N 1 ATOM 7505 C CA . GLU C 1 210 ? 14.414 60.952 -60.319 1.00 38.47 ? 277 GLU C CA 1 ATOM 7506 C C . GLU C 1 210 ? 15.346 60.416 -61.450 1.00 39.94 ? 277 GLU C C 1 ATOM 7507 O O . GLU C 1 210 ? 15.133 60.631 -62.624 1.00 43.40 ? 277 GLU C O 1 ATOM 7508 C CB . GLU C 1 210 ? 13.283 61.812 -60.926 1.00 37.50 ? 277 GLU C CB 1 ATOM 7509 C CG . GLU C 1 210 ? 12.151 62.066 -59.899 1.00 38.59 ? 277 GLU C CG 1 ATOM 7510 C CD . GLU C 1 210 ? 11.164 63.145 -60.324 1.00 46.83 ? 277 GLU C CD 1 ATOM 7511 O OE1 . GLU C 1 210 ? 11.465 63.882 -61.310 1.00 44.68 ? 277 GLU C OE1 1 ATOM 7512 O OE2 . GLU C 1 210 ? 10.086 63.294 -59.654 1.00 52.78 ? 277 GLU C OE2 1 ATOM 7513 N N . CYS C 1 211 ? 16.368 59.715 -61.040 1.00 37.07 ? 278 CYS C N 1 ATOM 7514 C CA . CYS C 1 211 ? 17.338 59.176 -61.916 1.00 43.10 ? 278 CYS C CA 1 ATOM 7515 C C . CYS C 1 211 ? 16.751 58.140 -62.856 1.00 42.33 ? 278 CYS C C 1 ATOM 7516 O O . CYS C 1 211 ? 16.002 57.270 -62.407 1.00 38.82 ? 278 CYS C O 1 ATOM 7517 C CB . CYS C 1 211 ? 18.470 58.550 -61.074 1.00 43.96 ? 278 CYS C CB 1 ATOM 7518 S SG . CYS C 1 211 ? 19.402 59.806 -60.212 1.00 48.46 ? 278 CYS C SG 1 ATOM 7519 N N . SER C 1 212 ? 17.099 58.273 -64.146 1.00 37.25 ? 279 SER C N 1 ATOM 7520 C CA . SER C 1 212 ? 16.938 57.197 -65.130 1.00 38.82 ? 279 SER C CA 1 ATOM 7521 C C . SER C 1 212 ? 18.256 56.509 -65.313 1.00 34.42 ? 279 SER C C 1 ATOM 7522 O O . SER C 1 212 ? 19.186 57.083 -65.884 1.00 37.48 ? 279 SER C O 1 ATOM 7523 C CB . SER C 1 212 ? 16.440 57.711 -66.483 1.00 37.21 ? 279 SER C CB 1 ATOM 7524 O OG . SER C 1 212 ? 15.366 58.579 -66.275 1.00 42.80 ? 279 SER C OG 1 ATOM 7525 N N . CYS C 1 213 ? 18.303 55.248 -64.907 1.00 34.04 ? 280 CYS C N 1 ATOM 7526 C CA . CYS C 1 213 ? 19.522 54.458 -64.820 1.00 36.77 ? 280 CYS C CA 1 ATOM 7527 C C . CYS C 1 213 ? 19.530 53.273 -65.791 1.00 37.78 ? 280 CYS C C 1 ATOM 7528 O O . CYS C 1 213 ? 18.493 52.754 -66.199 1.00 36.99 ? 280 CYS C O 1 ATOM 7529 C CB . CYS C 1 213 ? 19.721 53.902 -63.402 1.00 42.28 ? 280 CYS C CB 1 ATOM 7530 S SG . CYS C 1 213 ? 19.815 55.138 -62.084 1.00 42.50 ? 280 CYS C SG 1 ATOM 7531 N N . TYR C 1 214 ? 20.749 52.866 -66.158 1.00 40.35 ? 281 TYR C N 1 ATOM 7532 C CA . TYR C 1 214 ? 20.939 51.779 -67.055 1.00 39.25 ? 281 TYR C CA 1 ATOM 7533 C C . TYR C 1 214 ? 22.211 51.050 -66.785 1.00 40.37 ? 281 TYR C C 1 ATOM 7534 O O . TYR C 1 214 ? 23.180 51.630 -66.289 1.00 38.71 ? 281 TYR C O 1 ATOM 7535 C CB . TYR C 1 214 ? 20.909 52.283 -68.500 1.00 39.48 ? 281 TYR C CB 1 ATOM 7536 C CG . TYR C 1 214 ? 21.915 53.303 -68.917 1.00 37.79 ? 281 TYR C CG 1 ATOM 7537 C CD1 . TYR C 1 214 ? 23.095 52.924 -69.539 1.00 38.84 ? 281 TYR C CD1 1 ATOM 7538 C CD2 . TYR C 1 214 ? 21.654 54.655 -68.791 1.00 37.91 ? 281 TYR C CD2 1 ATOM 7539 C CE1 . TYR C 1 214 ? 24.011 53.866 -69.991 1.00 34.89 ? 281 TYR C CE1 1 ATOM 7540 C CE2 . TYR C 1 214 ? 22.589 55.603 -69.208 1.00 40.50 ? 281 TYR C CE2 1 ATOM 7541 C CZ . TYR C 1 214 ? 23.754 55.203 -69.824 1.00 36.59 ? 281 TYR C CZ 1 ATOM 7542 O OH . TYR C 1 214 ? 24.615 56.154 -70.283 1.00 37.58 ? 281 TYR C OH 1 ATOM 7543 N N . PRO C 1 215 ? 22.203 49.747 -67.082 1.00 39.26 ? 282 PRO C N 1 ATOM 7544 C CA . PRO C 1 215 ? 23.412 48.974 -66.980 1.00 40.33 ? 282 PRO C CA 1 ATOM 7545 C C . PRO C 1 215 ? 24.404 49.307 -68.082 1.00 41.48 ? 282 PRO C C 1 ATOM 7546 O O . PRO C 1 215 ? 24.031 49.507 -69.254 1.00 37.08 ? 282 PRO C O 1 ATOM 7547 C CB . PRO C 1 215 ? 22.927 47.554 -67.106 1.00 38.70 ? 282 PRO C CB 1 ATOM 7548 C CG . PRO C 1 215 ? 21.675 47.668 -67.958 1.00 38.09 ? 282 PRO C CG 1 ATOM 7549 C CD . PRO C 1 215 ? 21.080 48.983 -67.637 1.00 36.84 ? 282 PRO C CD 1 ATOM 7550 N N . ARG C 1 216 ? 25.649 49.422 -67.644 1.00 41.29 ? 283 ARG C N 1 ATOM 7551 C CA . ARG C 1 216 ? 26.783 49.668 -68.524 1.00 42.68 ? 283 ARG C CA 1 ATOM 7552 C C . ARG C 1 216 ? 27.958 48.850 -67.967 1.00 40.93 ? 283 ARG C C 1 ATOM 7553 O O . ARG C 1 216 ? 28.830 49.353 -67.264 1.00 38.01 ? 283 ARG C O 1 ATOM 7554 C CB . ARG C 1 216 ? 27.084 51.135 -68.488 1.00 43.70 ? 283 ARG C CB 1 ATOM 7555 C CG . ARG C 1 216 ? 28.070 51.558 -69.554 1.00 42.04 ? 283 ARG C CG 1 ATOM 7556 C CD . ARG C 1 216 ? 28.112 53.043 -69.552 1.00 42.59 ? 283 ARG C CD 1 ATOM 7557 N NE . ARG C 1 216 ? 28.970 53.479 -70.633 1.00 45.94 ? 283 ARG C NE 1 ATOM 7558 C CZ . ARG C 1 216 ? 30.285 53.545 -70.556 1.00 46.53 ? 283 ARG C CZ 1 ATOM 7559 N NH1 . ARG C 1 216 ? 30.939 53.116 -69.477 1.00 46.93 ? 283 ARG C NH1 1 ATOM 7560 N NH2 . ARG C 1 216 ? 30.956 53.992 -71.595 1.00 50.47 ? 283 ARG C NH2 1 ATOM 7561 N N . TYR C 1 217 ? 27.885 47.561 -68.241 1.00 39.77 ? 284 TYR C N 1 ATOM 7562 C CA . TYR C 1 217 ? 28.651 46.562 -67.567 1.00 42.75 ? 284 TYR C CA 1 ATOM 7563 C C . TYR C 1 217 ? 30.129 46.916 -67.502 1.00 46.80 ? 284 TYR C C 1 ATOM 7564 O O . TYR C 1 217 ? 30.665 47.423 -68.455 1.00 42.61 ? 284 TYR C O 1 ATOM 7565 C CB . TYR C 1 217 ? 28.441 45.217 -68.248 1.00 46.98 ? 284 TYR C CB 1 ATOM 7566 C CG . TYR C 1 217 ? 29.097 44.097 -67.499 1.00 50.14 ? 284 TYR C CG 1 ATOM 7567 C CD1 . TYR C 1 217 ? 28.442 43.442 -66.469 1.00 50.91 ? 284 TYR C CD1 1 ATOM 7568 C CD2 . TYR C 1 217 ? 30.397 43.715 -67.795 1.00 55.00 ? 284 TYR C CD2 1 ATOM 7569 C CE1 . TYR C 1 217 ? 29.058 42.445 -65.750 1.00 50.41 ? 284 TYR C CE1 1 ATOM 7570 C CE2 . TYR C 1 217 ? 31.026 42.722 -67.074 1.00 51.82 ? 284 TYR C CE2 1 ATOM 7571 C CZ . TYR C 1 217 ? 30.355 42.088 -66.063 1.00 52.18 ? 284 TYR C CZ 1 ATOM 7572 O OH . TYR C 1 217 ? 30.982 41.054 -65.371 1.00 58.09 ? 284 TYR C OH 1 ATOM 7573 N N . PRO C 1 218 ? 30.790 46.688 -66.342 1.00 46.22 ? 285 PRO C N 1 ATOM 7574 C CA . PRO C 1 218 ? 30.324 46.126 -65.058 1.00 45.99 ? 285 PRO C CA 1 ATOM 7575 C C . PRO C 1 218 ? 29.599 47.114 -64.127 1.00 48.39 ? 285 PRO C C 1 ATOM 7576 O O . PRO C 1 218 ? 29.336 46.776 -62.981 1.00 48.99 ? 285 PRO C O 1 ATOM 7577 C CB . PRO C 1 218 ? 31.640 45.694 -64.385 1.00 45.83 ? 285 PRO C CB 1 ATOM 7578 C CG . PRO C 1 218 ? 32.608 46.771 -64.817 1.00 47.46 ? 285 PRO C CG 1 ATOM 7579 C CD . PRO C 1 218 ? 32.188 47.167 -66.240 1.00 48.54 ? 285 PRO C CD 1 ATOM 7580 N N . ASP C 1 219 ? 29.354 48.340 -64.588 1.00 46.39 ? 286 ASP C N 1 ATOM 7581 C CA . ASP C 1 219 ? 28.798 49.361 -63.728 1.00 42.37 ? 286 ASP C CA 1 ATOM 7582 C C . ASP C 1 219 ? 27.372 49.771 -64.103 1.00 42.94 ? 286 ASP C C 1 ATOM 7583 O O . ASP C 1 219 ? 26.711 49.143 -64.938 1.00 42.50 ? 286 ASP C O 1 ATOM 7584 C CB . ASP C 1 219 ? 29.756 50.515 -63.721 1.00 44.47 ? 286 ASP C CB 1 ATOM 7585 C CG . ASP C 1 219 ? 31.136 50.094 -63.195 1.00 58.05 ? 286 ASP C CG 1 ATOM 7586 O OD1 . ASP C 1 219 ? 31.234 49.412 -62.133 1.00 58.81 ? 286 ASP C OD1 1 ATOM 7587 O OD2 . ASP C 1 219 ? 32.137 50.393 -63.895 1.00 66.02 ? 286 ASP C OD2 1 ATOM 7588 N N . VAL C 1 220 ? 26.885 50.798 -63.416 1.00 41.86 ? 287 VAL C N 1 ATOM 7589 C CA . VAL C 1 220 ? 25.590 51.371 -63.676 1.00 39.74 ? 287 VAL C CA 1 ATOM 7590 C C . VAL C 1 220 ? 25.741 52.848 -63.845 1.00 40.13 ? 287 VAL C C 1 ATOM 7591 O O . VAL C 1 220 ? 26.568 53.477 -63.178 1.00 36.86 ? 287 VAL C O 1 ATOM 7592 C CB . VAL C 1 220 ? 24.627 51.090 -62.520 1.00 40.98 ? 287 VAL C CB 1 ATOM 7593 C CG1 . VAL C 1 220 ? 23.338 51.841 -62.728 1.00 39.11 ? 287 VAL C CG1 1 ATOM 7594 C CG2 . VAL C 1 220 ? 24.337 49.621 -62.443 1.00 40.99 ? 287 VAL C CG2 1 ATOM 7595 N N . ARG C 1 221 ? 24.973 53.404 -64.779 1.00 38.43 ? 288 ARG C N 1 ATOM 7596 C CA . ARG C 1 221 ? 25.037 54.834 -65.072 1.00 38.90 ? 288 ARG C CA 1 ATOM 7597 C C . ARG C 1 221 ? 23.634 55.440 -65.059 1.00 37.62 ? 288 ARG C C 1 ATOM 7598 O O . ARG C 1 221 ? 22.703 54.824 -65.556 1.00 38.73 ? 288 ARG C O 1 ATOM 7599 C CB . ARG C 1 221 ? 25.686 55.044 -66.427 1.00 40.50 ? 288 ARG C CB 1 ATOM 7600 C CG . ARG C 1 221 ? 25.724 56.485 -66.914 1.00 43.43 ? 288 ARG C CG 1 ATOM 7601 C CD . ARG C 1 221 ? 26.723 56.650 -68.051 1.00 47.18 ? 288 ARG C CD 1 ATOM 7602 N NE . ARG C 1 221 ? 28.093 56.768 -67.562 1.00 50.51 ? 288 ARG C NE 1 ATOM 7603 C CZ . ARG C 1 221 ? 29.175 56.771 -68.335 1.00 47.40 ? 288 ARG C CZ 1 ATOM 7604 N NH1 . ARG C 1 221 ? 29.093 56.726 -69.658 1.00 47.26 ? 288 ARG C NH1 1 ATOM 7605 N NH2 . ARG C 1 221 ? 30.359 56.847 -67.771 1.00 44.59 ? 288 ARG C NH2 1 ATOM 7606 N N . CYS C 1 222 ? 23.504 56.637 -64.494 1.00 38.75 ? 289 CYS C N 1 ATOM 7607 C CA . CYS C 1 222 ? 22.218 57.291 -64.342 1.00 40.33 ? 289 CYS C CA 1 ATOM 7608 C C . CYS C 1 222 ? 22.281 58.699 -64.889 1.00 40.51 ? 289 CYS C C 1 ATOM 7609 O O . CYS C 1 222 ? 23.284 59.359 -64.743 1.00 43.30 ? 289 CYS C O 1 ATOM 7610 C CB . CYS C 1 222 ? 21.811 57.372 -62.877 1.00 40.13 ? 289 CYS C CB 1 ATOM 7611 S SG . CYS C 1 222 ? 21.828 55.825 -61.954 1.00 47.02 ? 289 CYS C SG 1 ATOM 7612 N N . VAL C 1 223 ? 21.196 59.147 -65.523 1.00 37.15 ? 290 VAL C N 1 ATOM 7613 C CA . VAL C 1 223 ? 21.024 60.532 -65.929 1.00 38.26 ? 290 VAL C CA 1 ATOM 7614 C C . VAL C 1 223 ? 19.771 61.030 -65.233 1.00 39.04 ? 290 VAL C C 1 ATOM 7615 O O . VAL C 1 223 ? 18.726 60.394 -65.264 1.00 36.55 ? 290 VAL C O 1 ATOM 7616 C CB . VAL C 1 223 ? 20.860 60.651 -67.463 1.00 40.63 ? 290 VAL C CB 1 ATOM 7617 C CG1 . VAL C 1 223 ? 20.579 62.068 -67.854 1.00 41.61 ? 290 VAL C CG1 1 ATOM 7618 C CG2 . VAL C 1 223 ? 22.116 60.167 -68.168 1.00 42.35 ? 290 VAL C CG2 1 ATOM 7619 N N . CYS C 1 224 ? 19.900 62.161 -64.581 1.00 40.04 ? 291 CYS C N 1 ATOM 7620 C CA . CYS C 1 224 ? 18.948 62.583 -63.577 1.00 38.37 ? 291 CYS C CA 1 ATOM 7621 C C . CYS C 1 224 ? 18.378 63.978 -63.870 1.00 37.45 ? 291 CYS C C 1 ATOM 7622 O O . CYS C 1 224 ? 18.516 64.558 -64.987 1.00 39.86 ? 291 CYS C O 1 ATOM 7623 C CB . CYS C 1 224 ? 19.583 62.471 -62.170 1.00 41.47 ? 291 CYS C CB 1 ATOM 7624 S SG . CYS C 1 224 ? 20.494 60.942 -61.819 1.00 47.07 ? 291 CYS C SG 1 ATOM 7625 N N . ARG C 1 225 ? 17.663 64.475 -62.890 1.00 35.40 ? 292 ARG C N 1 ATOM 7626 C CA . ARG C 1 225 ? 17.046 65.783 -62.914 1.00 37.14 ? 292 ARG C CA 1 ATOM 7627 C C . ARG C 1 225 ? 17.688 66.647 -61.803 1.00 38.61 ? 292 ARG C C 1 ATOM 7628 O O . ARG C 1 225 ? 17.738 66.230 -60.667 1.00 36.18 ? 292 ARG C O 1 ATOM 7629 C CB . ARG C 1 225 ? 15.573 65.596 -62.641 1.00 38.04 ? 292 ARG C CB 1 ATOM 7630 C CG . ARG C 1 225 ? 14.778 66.878 -62.371 1.00 40.11 ? 292 ARG C CG 1 ATOM 7631 C CD . ARG C 1 225 ? 13.388 66.487 -61.925 1.00 39.40 ? 292 ARG C CD 1 ATOM 7632 N NE . ARG C 1 225 ? 12.625 67.631 -61.492 1.00 42.10 ? 292 ARG C NE 1 ATOM 7633 C CZ . ARG C 1 225 ? 11.333 67.595 -61.162 1.00 42.09 ? 292 ARG C CZ 1 ATOM 7634 N NH1 . ARG C 1 225 ? 10.635 66.454 -61.197 1.00 41.78 ? 292 ARG C NH1 1 ATOM 7635 N NH2 . ARG C 1 225 ? 10.741 68.693 -60.795 1.00 42.54 ? 292 ARG C NH2 1 ATOM 7636 N N . ASP C 1 226 ? 18.219 67.799 -62.208 1.00 42.87 ? 293 ASP C N 1 ATOM 7637 C CA . ASP C 1 226 ? 18.613 68.912 -61.340 1.00 43.04 ? 293 ASP C CA 1 ATOM 7638 C C . ASP C 1 226 ? 17.377 69.882 -61.268 1.00 40.96 ? 293 ASP C C 1 ATOM 7639 O O . ASP C 1 226 ? 16.951 70.503 -62.205 1.00 51.85 ? 293 ASP C O 1 ATOM 7640 C CB . ASP C 1 226 ? 19.838 69.651 -61.879 1.00 46.87 ? 293 ASP C CB 1 ATOM 7641 C CG . ASP C 1 226 ? 20.428 70.676 -60.867 1.00 48.11 ? 293 ASP C CG 1 ATOM 7642 O OD1 . ASP C 1 226 ? 19.641 71.448 -60.277 1.00 46.77 ? 293 ASP C OD1 1 ATOM 7643 O OD2 . ASP C 1 226 ? 21.680 70.771 -60.750 1.00 48.03 ? 293 ASP C OD2 1 ATOM 7644 N N . ASN C 1 227 ? 16.836 69.868 -60.106 1.00 43.45 ? 294 ASN C N 1 ATOM 7645 C CA . ASN C 1 227 ? 15.643 70.434 -59.498 1.00 43.99 ? 294 ASN C CA 1 ATOM 7646 C C . ASN C 1 227 ? 15.806 71.946 -59.287 1.00 50.19 ? 294 ASN C C 1 ATOM 7647 O O . ASN C 1 227 ? 14.839 72.638 -59.015 1.00 43.82 ? 294 ASN C O 1 ATOM 7648 C CB . ASN C 1 227 ? 16.028 69.683 -58.188 1.00 59.81 ? 294 ASN C CB 1 ATOM 7649 C CG . ASN C 1 227 ? 15.347 69.984 -56.958 1.00 46.67 ? 294 ASN C CG 1 ATOM 7650 O OD1 . ASN C 1 227 ? 14.264 69.509 -56.729 1.00 53.42 ? 294 ASN C OD1 1 ATOM 7651 N ND2 . ASN C 1 227 ? 16.140 70.424 -56.007 1.00 63.58 ? 294 ASN C ND2 1 ATOM 7652 N N . TRP C 1 228 ? 17.043 72.462 -59.302 1.00 43.01 ? 295 TRP C N 1 ATOM 7653 C CA . TRP C 1 228 ? 17.320 73.768 -58.643 1.00 44.54 ? 295 TRP C CA 1 ATOM 7654 C C . TRP C 1 228 ? 18.194 74.723 -59.425 1.00 44.01 ? 295 TRP C C 1 ATOM 7655 O O . TRP C 1 228 ? 17.829 75.848 -59.593 1.00 46.97 ? 295 TRP C O 1 ATOM 7656 C CB . TRP C 1 228 ? 17.952 73.514 -57.273 1.00 46.62 ? 295 TRP C CB 1 ATOM 7657 C CG . TRP C 1 228 ? 17.975 74.649 -56.387 1.00 53.34 ? 295 TRP C CG 1 ATOM 7658 C CD1 . TRP C 1 228 ? 19.080 75.255 -55.821 1.00 48.03 ? 295 TRP C CD1 1 ATOM 7659 C CD2 . TRP C 1 228 ? 16.838 75.352 -55.906 1.00 53.03 ? 295 TRP C CD2 1 ATOM 7660 N NE1 . TRP C 1 228 ? 18.690 76.282 -55.020 1.00 51.46 ? 295 TRP C NE1 1 ATOM 7661 C CE2 . TRP C 1 228 ? 17.321 76.384 -55.066 1.00 55.16 ? 295 TRP C CE2 1 ATOM 7662 C CE3 . TRP C 1 228 ? 15.446 75.250 -56.144 1.00 58.34 ? 295 TRP C CE3 1 ATOM 7663 C CZ2 . TRP C 1 228 ? 16.473 77.296 -54.451 1.00 60.34 ? 295 TRP C CZ2 1 ATOM 7664 C CZ3 . TRP C 1 228 ? 14.591 76.187 -55.542 1.00 61.91 ? 295 TRP C CZ3 1 ATOM 7665 C CH2 . TRP C 1 228 ? 15.118 77.203 -54.713 1.00 61.49 ? 295 TRP C CH2 1 ATOM 7666 N N . LYS C 1 229 ? 19.316 74.270 -59.947 1.00 44.47 ? 296 LYS C N 1 ATOM 7667 C CA . LYS C 1 229 ? 20.248 75.191 -60.615 1.00 49.97 ? 296 LYS C CA 1 ATOM 7668 C C . LYS C 1 229 ? 20.582 74.928 -62.055 1.00 43.94 ? 296 LYS C C 1 ATOM 7669 O O . LYS C 1 229 ? 21.172 75.750 -62.692 1.00 55.85 ? 296 LYS C O 1 ATOM 7670 C CB . LYS C 1 229 ? 21.560 75.252 -59.797 1.00 58.73 ? 296 LYS C CB 1 ATOM 7671 C CG . LYS C 1 229 ? 21.336 75.674 -58.334 1.00 70.45 ? 296 LYS C CG 1 ATOM 7672 C CD . LYS C 1 229 ? 22.468 76.517 -57.751 1.00 73.90 ? 296 LYS C CD 1 ATOM 7673 C CE . LYS C 1 229 ? 23.711 75.681 -57.506 1.00 79.93 ? 296 LYS C CE 1 ATOM 7674 N NZ . LYS C 1 229 ? 24.942 76.526 -57.410 1.00 88.98 ? 296 LYS C NZ 1 ATOM 7675 N N . GLY C 1 230 ? 20.306 73.736 -62.554 1.00 49.09 ? 297 GLY C N 1 ATOM 7676 C CA . GLY C 1 230 ? 20.753 73.341 -63.893 1.00 45.48 ? 297 GLY C CA 1 ATOM 7677 C C . GLY C 1 230 ? 19.625 72.848 -64.789 1.00 40.89 ? 297 GLY C C 1 ATOM 7678 O O . GLY C 1 230 ? 18.819 72.035 -64.380 1.00 42.65 ? 297 GLY C O 1 ATOM 7679 N N . SER C 1 231 ? 19.601 73.338 -66.012 1.00 38.08 ? 298 SER C N 1 ATOM 7680 C CA . SER C 1 231 ? 18.811 72.746 -67.098 1.00 40.11 ? 298 SER C CA 1 ATOM 7681 C C . SER C 1 231 ? 19.627 71.708 -67.881 1.00 41.69 ? 298 SER C C 1 ATOM 7682 O O . SER C 1 231 ? 19.106 71.014 -68.754 1.00 43.97 ? 298 SER C O 1 ATOM 7683 C CB . SER C 1 231 ? 18.263 73.833 -68.041 1.00 42.93 ? 298 SER C CB 1 ATOM 7684 O OG . SER C 1 231 ? 19.291 74.683 -68.514 1.00 43.07 ? 298 SER C OG 1 ATOM 7685 N N . ASN C 1 232 ? 20.915 71.605 -67.564 1.00 42.00 ? 299 ASN C N 1 ATOM 7686 C CA . ASN C 1 232 ? 21.716 70.469 -68.029 1.00 42.74 ? 299 ASN C CA 1 ATOM 7687 C C . ASN C 1 232 ? 21.507 69.336 -67.013 1.00 40.26 ? 299 ASN C C 1 ATOM 7688 O O . ASN C 1 232 ? 21.286 69.576 -65.826 1.00 45.90 ? 299 ASN C O 1 ATOM 7689 C CB . ASN C 1 232 ? 23.192 70.839 -68.267 1.00 39.50 ? 299 ASN C CB 1 ATOM 7690 C CG . ASN C 1 232 ? 23.867 71.561 -67.066 1.00 40.36 ? 299 ASN C CG 1 ATOM 7691 O OD1 . ASN C 1 232 ? 23.219 72.146 -66.187 1.00 40.38 ? 299 ASN C OD1 1 ATOM 7692 N ND2 . ASN C 1 232 ? 25.158 71.475 -67.021 1.00 39.33 ? 299 ASN C ND2 1 ATOM 7693 N N . ARG C 1 233 ? 21.528 68.100 -67.482 1.00 42.06 ? 300 ARG C N 1 ATOM 7694 C CA . ARG C 1 233 ? 21.187 66.949 -66.620 1.00 40.65 ? 300 ARG C CA 1 ATOM 7695 C C . ARG C 1 233 ? 22.418 66.373 -65.906 1.00 43.17 ? 300 ARG C C 1 ATOM 7696 O O . ARG C 1 233 ? 23.467 66.168 -66.517 1.00 39.67 ? 300 ARG C O 1 ATOM 7697 C CB . ARG C 1 233 ? 20.488 65.860 -67.407 1.00 38.01 ? 300 ARG C CB 1 ATOM 7698 C CG . ARG C 1 233 ? 19.123 66.246 -67.908 1.00 38.27 ? 300 ARG C CG 1 ATOM 7699 C CD . ARG C 1 233 ? 18.335 65.039 -68.395 1.00 37.47 ? 300 ARG C CD 1 ATOM 7700 N NE . ARG C 1 233 ? 16.966 65.389 -68.753 1.00 36.45 ? 300 ARG C NE 1 ATOM 7701 C CZ . ARG C 1 233 ? 16.000 65.627 -67.856 1.00 37.88 ? 300 ARG C CZ 1 ATOM 7702 N NH1 . ARG C 1 233 ? 16.217 65.521 -66.551 1.00 34.73 ? 300 ARG C NH1 1 ATOM 7703 N NH2 . ARG C 1 233 ? 14.793 65.976 -68.266 1.00 41.09 ? 300 ARG C NH2 1 ATOM 7704 N N . PRO C 1 234 ? 22.295 66.118 -64.609 1.00 40.28 ? 301 PRO C N 1 ATOM 7705 C CA . PRO C 1 234 ? 23.350 65.398 -63.893 1.00 43.63 ? 301 PRO C CA 1 ATOM 7706 C C . PRO C 1 234 ? 23.529 63.949 -64.356 1.00 41.23 ? 301 PRO C C 1 ATOM 7707 O O . PRO C 1 234 ? 22.590 63.306 -64.792 1.00 44.68 ? 301 PRO C O 1 ATOM 7708 C CB . PRO C 1 234 ? 22.842 65.347 -62.426 1.00 44.15 ? 301 PRO C CB 1 ATOM 7709 C CG . PRO C 1 234 ? 21.714 66.282 -62.367 1.00 43.80 ? 301 PRO C CG 1 ATOM 7710 C CD . PRO C 1 234 ? 21.137 66.406 -63.748 1.00 41.25 ? 301 PRO C CD 1 ATOM 7711 N N . VAL C 1 235 ? 24.739 63.442 -64.200 1.00 39.18 ? 302 VAL C N 1 ATOM 7712 C CA . VAL C 1 235 ? 25.071 62.091 -64.518 1.00 35.88 ? 302 VAL C CA 1 ATOM 7713 C C . VAL C 1 235 ? 25.709 61.523 -63.278 1.00 35.71 ? 302 VAL C C 1 ATOM 7714 O O . VAL C 1 235 ? 26.655 62.064 -62.764 1.00 43.14 ? 302 VAL C O 1 ATOM 7715 C CB . VAL C 1 235 ? 26.037 62.047 -65.755 1.00 34.85 ? 302 VAL C CB 1 ATOM 7716 C CG1 . VAL C 1 235 ? 26.301 60.613 -66.086 1.00 38.86 ? 302 VAL C CG1 1 ATOM 7717 C CG2 . VAL C 1 235 ? 25.377 62.756 -66.930 1.00 39.67 ? 302 VAL C CG2 1 ATOM 7718 N N . ILE C 1 236 ? 25.309 60.327 -62.924 1.00 37.44 ? 303 ILE C N 1 ATOM 7719 C CA . ILE C 1 236 ? 25.962 59.556 -61.888 1.00 35.97 ? 303 ILE C CA 1 ATOM 7720 C C . ILE C 1 236 ? 26.522 58.227 -62.342 1.00 40.85 ? 303 ILE C C 1 ATOM 7721 O O . ILE C 1 236 ? 25.822 57.478 -62.990 1.00 42.42 ? 303 ILE C O 1 ATOM 7722 C CB . ILE C 1 236 ? 24.937 59.314 -60.750 1.00 31.96 ? 303 ILE C CB 1 ATOM 7723 C CG1 . ILE C 1 236 ? 24.489 60.690 -60.266 1.00 35.04 ? 303 ILE C CG1 1 ATOM 7724 C CG2 . ILE C 1 236 ? 25.627 58.690 -59.546 1.00 35.76 ? 303 ILE C CG2 1 ATOM 7725 C CD1 . ILE C 1 236 ? 23.246 60.544 -59.393 1.00 40.37 ? 303 ILE C CD1 1 ATOM 7726 N N . ASP C 1 237 ? 27.767 57.938 -61.953 1.00 44.68 ? 304 ASP C N 1 ATOM 7727 C CA . ASP C 1 237 ? 28.398 56.616 -62.176 1.00 44.47 ? 304 ASP C CA 1 ATOM 7728 C C . ASP C 1 237 ? 28.554 55.829 -60.906 1.00 39.10 ? 304 ASP C C 1 ATOM 7729 O O . ASP C 1 237 ? 29.059 56.329 -59.878 1.00 44.68 ? 304 ASP C O 1 ATOM 7730 C CB . ASP C 1 237 ? 29.783 56.735 -62.830 1.00 44.69 ? 304 ASP C CB 1 ATOM 7731 C CG . ASP C 1 237 ? 29.693 57.018 -64.318 1.00 53.51 ? 304 ASP C CG 1 ATOM 7732 O OD1 . ASP C 1 237 ? 28.710 56.621 -64.978 1.00 63.88 ? 304 ASP C OD1 1 ATOM 7733 O OD2 . ASP C 1 237 ? 30.574 57.709 -64.861 1.00 66.10 ? 304 ASP C OD2 1 ATOM 7734 N N . ILE C 1 238 ? 28.155 54.578 -60.982 1.00 38.72 ? 305 ILE C N 1 ATOM 7735 C CA . ILE C 1 238 ? 28.056 53.725 -59.811 1.00 40.31 ? 305 ILE C CA 1 ATOM 7736 C C . ILE C 1 238 ? 28.888 52.485 -60.030 1.00 44.29 ? 305 ILE C C 1 ATOM 7737 O O . ILE C 1 238 ? 28.610 51.720 -60.940 1.00 41.16 ? 305 ILE C O 1 ATOM 7738 C CB . ILE C 1 238 ? 26.627 53.288 -59.559 1.00 41.01 ? 305 ILE C CB 1 ATOM 7739 C CG1 . ILE C 1 238 ? 25.737 54.505 -59.383 1.00 41.81 ? 305 ILE C CG1 1 ATOM 7740 C CG2 . ILE C 1 238 ? 26.546 52.356 -58.340 1.00 39.73 ? 305 ILE C CG2 1 ATOM 7741 C CD1 . ILE C 1 238 ? 24.281 54.140 -59.193 1.00 42.34 ? 305 ILE C CD1 1 ATOM 7742 N N . ASN C 1 239 ? 29.912 52.315 -59.196 1.00 44.10 ? 306 ASN C N 1 ATOM 7743 C CA . ASN C 1 239 ? 30.818 51.202 -59.296 1.00 46.44 ? 306 ASN C CA 1 ATOM 7744 C C . ASN C 1 239 ? 30.297 50.046 -58.506 1.00 45.06 ? 306 ASN C C 1 ATOM 7745 O O . ASN C 1 239 ? 30.217 50.091 -57.280 1.00 47.68 ? 306 ASN C O 1 ATOM 7746 C CB . ASN C 1 239 ? 32.179 51.585 -58.723 1.00 49.09 ? 306 ASN C CB 1 ATOM 7747 C CG . ASN C 1 239 ? 33.215 50.512 -58.968 1.00 50.93 ? 306 ASN C CG 1 ATOM 7748 O OD1 . ASN C 1 239 ? 33.045 49.345 -58.601 1.00 54.55 ? 306 ASN C OD1 1 ATOM 7749 N ND2 . ASN C 1 239 ? 34.262 50.890 -59.612 1.00 50.53 ? 306 ASN C ND2 1 ATOM 7750 N N . MET C 1 240 ? 29.945 48.984 -59.189 1.00 50.32 ? 307 MET C N 1 ATOM 7751 C CA . MET C 1 240 ? 29.281 47.862 -58.527 1.00 49.36 ? 307 MET C CA 1 ATOM 7752 C C . MET C 1 240 ? 30.231 46.902 -57.795 1.00 50.34 ? 307 MET C C 1 ATOM 7753 O O . MET C 1 240 ? 29.794 46.079 -57.027 1.00 56.89 ? 307 MET C O 1 ATOM 7754 C CB . MET C 1 240 ? 28.427 47.118 -59.561 1.00 48.44 ? 307 MET C CB 1 ATOM 7755 C CG . MET C 1 240 ? 27.314 47.966 -60.187 1.00 47.56 ? 307 MET C CG 1 ATOM 7756 S SD . MET C 1 240 ? 25.995 48.430 -59.007 1.00 52.81 ? 307 MET C SD 1 ATOM 7757 C CE . MET C 1 240 ? 25.012 46.917 -58.913 1.00 57.53 ? 307 MET C CE 1 ATOM 7758 N N . ALA C 1 241 ? 31.528 47.052 -57.995 1.00 51.36 ? 308 ALA C N 1 ATOM 7759 C CA . ALA C 1 241 ? 32.549 46.214 -57.342 1.00 51.17 ? 308 ALA C CA 1 ATOM 7760 C C . ALA C 1 241 ? 32.952 46.739 -55.981 1.00 54.32 ? 308 ALA C C 1 ATOM 7761 O O . ALA C 1 241 ? 33.082 45.966 -55.061 1.00 61.77 ? 308 ALA C O 1 ATOM 7762 C CB . ALA C 1 241 ? 33.825 46.102 -58.223 1.00 41.42 ? 308 ALA C CB 1 ATOM 7763 N N . ASP C 1 242 ? 33.155 48.043 -55.863 1.00 53.74 ? 309 ASP C N 1 ATOM 7764 C CA . ASP C 1 242 ? 33.588 48.636 -54.576 1.00 56.36 ? 309 ASP C CA 1 ATOM 7765 C C . ASP C 1 242 ? 32.605 49.685 -53.996 1.00 54.84 ? 309 ASP C C 1 ATOM 7766 O O . ASP C 1 242 ? 32.922 50.335 -53.005 1.00 48.66 ? 309 ASP C O 1 ATOM 7767 C CB . ASP C 1 242 ? 35.004 49.217 -54.702 1.00 55.78 ? 309 ASP C CB 1 ATOM 7768 C CG . ASP C 1 242 ? 35.070 50.460 -55.577 1.00 57.93 ? 309 ASP C CG 1 ATOM 7769 O OD1 . ASP C 1 242 ? 34.042 51.004 -56.035 1.00 65.12 ? 309 ASP C OD1 1 ATOM 7770 O OD2 . ASP C 1 242 ? 36.186 50.905 -55.859 1.00 65.49 ? 309 ASP C OD2 1 ATOM 7771 N N . TYR C 1 243 ? 31.450 49.869 -54.640 1.00 44.90 ? 310 TYR C N 1 ATOM 7772 C CA . TYR C 1 243 ? 30.409 50.794 -54.141 1.00 48.17 ? 310 TYR C CA 1 ATOM 7773 C C . TYR C 1 243 ? 30.736 52.275 -54.187 1.00 44.15 ? 310 TYR C C 1 ATOM 7774 O O . TYR C 1 243 ? 30.043 53.069 -53.573 1.00 46.46 ? 310 TYR C O 1 ATOM 7775 C CB . TYR C 1 243 ? 30.002 50.473 -52.698 1.00 49.31 ? 310 TYR C CB 1 ATOM 7776 C CG . TYR C 1 243 ? 29.546 49.080 -52.493 1.00 49.04 ? 310 TYR C CG 1 ATOM 7777 C CD1 . TYR C 1 243 ? 28.756 48.433 -53.453 1.00 53.76 ? 310 TYR C CD1 1 ATOM 7778 C CD2 . TYR C 1 243 ? 29.907 48.382 -51.348 1.00 55.36 ? 310 TYR C CD2 1 ATOM 7779 C CE1 . TYR C 1 243 ? 28.351 47.128 -53.283 1.00 54.90 ? 310 TYR C CE1 1 ATOM 7780 C CE2 . TYR C 1 243 ? 29.490 47.074 -51.153 1.00 54.67 ? 310 TYR C CE2 1 ATOM 7781 C CZ . TYR C 1 243 ? 28.707 46.478 -52.113 1.00 55.08 ? 310 TYR C CZ 1 ATOM 7782 O OH . TYR C 1 243 ? 28.325 45.221 -51.931 1.00 58.83 ? 310 TYR C OH 1 ATOM 7783 N N . SER C 1 244 ? 31.770 52.666 -54.911 1.00 44.04 ? 311 SER C N 1 ATOM 7784 C CA . SER C 1 244 ? 32.135 54.079 -55.009 1.00 47.25 ? 311 SER C CA 1 ATOM 7785 C C . SER C 1 244 ? 31.290 54.757 -56.108 1.00 46.69 ? 311 SER C C 1 ATOM 7786 O O . SER C 1 244 ? 30.823 54.124 -57.053 1.00 40.87 ? 311 SER C O 1 ATOM 7787 C CB . SER C 1 244 ? 33.643 54.251 -55.279 1.00 46.71 ? 311 SER C CB 1 ATOM 7788 O OG . SER C 1 244 ? 33.999 53.609 -56.489 1.00 47.97 ? 311 SER C OG 1 ATOM 7789 N N . ILE C 1 245 ? 31.198 56.076 -55.987 1.00 45.09 ? 312 ILE C N 1 ATOM 7790 C CA . ILE C 1 245 ? 30.323 56.892 -56.780 1.00 43.25 ? 312 ILE C CA 1 ATOM 7791 C C . ILE C 1 245 ? 31.062 58.066 -57.423 1.00 44.46 ? 312 ILE C C 1 ATOM 7792 O O . ILE C 1 245 ? 31.933 58.641 -56.809 1.00 44.64 ? 312 ILE C O 1 ATOM 7793 C CB . ILE C 1 245 ? 29.261 57.488 -55.851 1.00 44.61 ? 312 ILE C CB 1 ATOM 7794 C CG1 . ILE C 1 245 ? 28.587 56.390 -55.002 1.00 47.51 ? 312 ILE C CG1 1 ATOM 7795 C CG2 . ILE C 1 245 ? 28.215 58.271 -56.657 1.00 46.75 ? 312 ILE C CG2 1 ATOM 7796 C CD1 . ILE C 1 245 ? 27.775 55.382 -55.792 1.00 46.16 ? 312 ILE C CD1 1 ATOM 7797 N N . ASP C 1 246 ? 30.693 58.437 -58.647 1.00 42.99 ? 313 ASP C N 1 ATOM 7798 C CA . ASP C 1 246 ? 31.137 59.701 -59.208 1.00 41.61 ? 313 ASP C CA 1 ATOM 7799 C C . ASP C 1 246 ? 29.966 60.365 -59.924 1.00 41.29 ? 313 ASP C C 1 ATOM 7800 O O . ASP C 1 246 ? 28.965 59.715 -60.193 1.00 40.43 ? 313 ASP C O 1 ATOM 7801 C CB . ASP C 1 246 ? 32.322 59.518 -60.157 1.00 46.87 ? 313 ASP C CB 1 ATOM 7802 C CG . ASP C 1 246 ? 33.243 60.793 -60.233 1.00 55.59 ? 313 ASP C CG 1 ATOM 7803 O OD1 . ASP C 1 246 ? 32.948 61.859 -59.629 1.00 63.54 ? 313 ASP C OD1 1 ATOM 7804 O OD2 . ASP C 1 246 ? 34.285 60.726 -60.903 1.00 66.84 ? 313 ASP C OD2 1 ATOM 7805 N N . SER C 1 247 ? 30.073 61.664 -60.206 1.00 39.91 ? 314 SER C N 1 ATOM 7806 C CA . SER C 1 247 ? 29.036 62.366 -60.875 1.00 39.75 ? 314 SER C CA 1 ATOM 7807 C C . SER C 1 247 ? 29.517 63.618 -61.559 1.00 41.12 ? 314 SER C C 1 ATOM 7808 O O . SER C 1 247 ? 30.505 64.166 -61.177 1.00 42.32 ? 314 SER C O 1 ATOM 7809 C CB . SER C 1 247 ? 27.932 62.694 -59.861 1.00 42.60 ? 314 SER C CB 1 ATOM 7810 O OG . SER C 1 247 ? 28.350 63.613 -58.897 1.00 39.88 ? 314 SER C OG 1 ATOM 7811 N N . SER C 1 248 ? 28.745 64.091 -62.535 1.00 43.93 ? 315 SER C N 1 ATOM 7812 C CA . SER C 1 248 ? 29.034 65.275 -63.327 1.00 43.00 ? 315 SER C CA 1 ATOM 7813 C C . SER C 1 248 ? 27.728 65.669 -64.071 1.00 41.56 ? 315 SER C C 1 ATOM 7814 O O . SER C 1 248 ? 26.672 65.391 -63.557 1.00 39.66 ? 315 SER C O 1 ATOM 7815 C CB . SER C 1 248 ? 30.177 64.969 -64.307 1.00 43.60 ? 315 SER C CB 1 ATOM 7816 O OG . SER C 1 248 ? 29.775 63.961 -65.195 1.00 48.13 ? 315 SER C OG 1 ATOM 7817 N N . TYR C 1 249 ? 27.814 66.367 -65.222 1.00 40.10 ? 316 TYR C N 1 ATOM 7818 C CA . TYR C 1 249 ? 26.666 66.804 -66.020 1.00 40.63 ? 316 TYR C CA 1 ATOM 7819 C C . TYR C 1 249 ? 26.922 66.449 -67.471 1.00 43.45 ? 316 TYR C C 1 ATOM 7820 O O . TYR C 1 249 ? 28.070 66.425 -67.931 1.00 45.36 ? 316 TYR C O 1 ATOM 7821 C CB . TYR C 1 249 ? 26.423 68.321 -65.925 1.00 41.63 ? 316 TYR C CB 1 ATOM 7822 C CG . TYR C 1 249 ? 25.810 68.733 -64.606 1.00 41.20 ? 316 TYR C CG 1 ATOM 7823 C CD1 . TYR C 1 249 ? 26.565 68.846 -63.473 1.00 42.82 ? 316 TYR C CD1 1 ATOM 7824 C CD2 . TYR C 1 249 ? 24.432 68.963 -64.494 1.00 42.74 ? 316 TYR C CD2 1 ATOM 7825 C CE1 . TYR C 1 249 ? 25.991 69.208 -62.244 1.00 42.99 ? 316 TYR C CE1 1 ATOM 7826 C CE2 . TYR C 1 249 ? 23.858 69.307 -63.291 1.00 41.20 ? 316 TYR C CE2 1 ATOM 7827 C CZ . TYR C 1 249 ? 24.638 69.428 -62.162 1.00 43.47 ? 316 TYR C CZ 1 ATOM 7828 O OH . TYR C 1 249 ? 24.051 69.776 -60.968 1.00 45.39 ? 316 TYR C OH 1 ATOM 7829 N N . VAL C 1 250 ? 25.832 66.144 -68.174 1.00 42.86 ? 317 VAL C N 1 ATOM 7830 C CA . VAL C 1 250 ? 25.842 65.855 -69.597 1.00 37.82 ? 317 VAL C CA 1 ATOM 7831 C C . VAL C 1 250 ? 26.465 67.008 -70.377 1.00 45.45 ? 317 VAL C C 1 ATOM 7832 O O . VAL C 1 250 ? 26.119 68.182 -70.152 1.00 41.28 ? 317 VAL C O 1 ATOM 7833 C CB . VAL C 1 250 ? 24.432 65.566 -70.096 1.00 40.76 ? 317 VAL C CB 1 ATOM 7834 C CG1 . VAL C 1 250 ? 24.397 65.406 -71.597 1.00 38.64 ? 317 VAL C CG1 1 ATOM 7835 C CG2 . VAL C 1 250 ? 23.847 64.298 -69.443 1.00 39.30 ? 317 VAL C CG2 1 ATOM 7836 N N . CYS C 1 251 ? 27.429 66.669 -71.251 1.00 44.81 ? 318 CYS C N 1 ATOM 7837 C CA . CYS C 1 251 ? 28.267 67.668 -71.954 1.00 48.69 ? 318 CYS C CA 1 ATOM 7838 C C . CYS C 1 251 ? 27.509 68.518 -72.961 1.00 47.51 ? 318 CYS C C 1 ATOM 7839 O O . CYS C 1 251 ? 27.804 69.710 -73.125 1.00 42.43 ? 318 CYS C O 1 ATOM 7840 C CB . CYS C 1 251 ? 29.466 67.002 -72.671 1.00 51.76 ? 318 CYS C CB 1 ATOM 7841 S SG . CYS C 1 251 ? 30.822 66.567 -71.552 1.00 60.32 ? 318 CYS C SG 1 ATOM 7842 N N . SER C 1 252 ? 26.560 67.887 -73.640 1.00 41.27 ? 319 SER C N 1 ATOM 7843 C CA . SER C 1 252 ? 25.821 68.516 -74.724 1.00 41.90 ? 319 SER C CA 1 ATOM 7844 C C . SER C 1 252 ? 25.348 69.929 -74.418 1.00 45.49 ? 319 SER C C 1 ATOM 7845 O O . SER C 1 252 ? 24.712 70.183 -73.379 1.00 43.60 ? 319 SER C O 1 ATOM 7846 C CB . SER C 1 252 ? 24.604 67.674 -75.068 1.00 42.76 ? 319 SER C CB 1 ATOM 7847 O OG . SER C 1 252 ? 23.787 68.346 -76.012 1.00 38.80 ? 319 SER C OG 1 ATOM 7848 N N . GLY C 1 253 ? 25.610 70.839 -75.351 1.00 43.48 ? 320 GLY C N 1 ATOM 7849 C CA . GLY C 1 253 ? 25.072 72.191 -75.262 1.00 43.29 ? 320 GLY C CA 1 ATOM 7850 C C . GLY C 1 253 ? 23.581 72.267 -75.599 1.00 45.59 ? 320 GLY C C 1 ATOM 7851 O O . GLY C 1 253 ? 22.944 73.278 -75.301 1.00 44.24 ? 320 GLY C O 1 ATOM 7852 N N . LEU C 1 254 ? 23.038 71.231 -76.260 1.00 44.11 ? 321 LEU C N 1 ATOM 7853 C CA . LEU C 1 254 ? 21.605 71.073 -76.367 1.00 43.90 ? 321 LEU C CA 1 ATOM 7854 C C . LEU C 1 254 ? 21.164 70.327 -75.086 1.00 43.69 ? 321 LEU C C 1 ATOM 7855 O O . LEU C 1 254 ? 21.446 69.142 -74.896 1.00 41.66 ? 321 LEU C O 1 ATOM 7856 C CB . LEU C 1 254 ? 21.240 70.316 -77.629 1.00 45.53 ? 321 LEU C CB 1 ATOM 7857 C CG . LEU C 1 254 ? 21.706 70.958 -78.941 1.00 50.36 ? 321 LEU C CG 1 ATOM 7858 C CD1 . LEU C 1 254 ? 21.408 70.106 -80.136 1.00 49.78 ? 321 LEU C CD1 1 ATOM 7859 C CD2 . LEU C 1 254 ? 21.080 72.321 -79.175 1.00 53.88 ? 321 LEU C CD2 1 ATOM 7860 N N . VAL C 1 255 ? 20.520 71.036 -74.175 1.00 40.36 ? 322 VAL C N 1 ATOM 7861 C CA . VAL C 1 255 ? 20.267 70.468 -72.848 1.00 40.51 ? 322 VAL C CA 1 ATOM 7862 C C . VAL C 1 255 ? 18.916 69.784 -72.781 1.00 44.21 ? 322 VAL C C 1 ATOM 7863 O O . VAL C 1 255 ? 18.014 70.080 -73.580 1.00 40.18 ? 322 VAL C O 1 ATOM 7864 C CB . VAL C 1 255 ? 20.424 71.496 -71.752 1.00 41.23 ? 322 VAL C CB 1 ATOM 7865 C CG1 . VAL C 1 255 ? 21.792 72.150 -71.890 1.00 42.94 ? 322 VAL C CG1 1 ATOM 7866 C CG2 . VAL C 1 255 ? 19.343 72.553 -71.818 1.00 42.57 ? 322 VAL C CG2 1 ATOM 7867 N N . GLY C 1 256 ? 18.781 68.870 -71.820 1.00 41.01 ? 323 GLY C N 1 ATOM 7868 C CA . GLY C 1 256 ? 17.613 67.986 -71.753 1.00 41.49 ? 323 GLY C CA 1 ATOM 7869 C C . GLY C 1 256 ? 16.461 68.299 -70.797 1.00 41.82 ? 323 GLY C C 1 ATOM 7870 O O . GLY C 1 256 ? 15.424 67.614 -70.822 1.00 42.90 ? 323 GLY C O 1 ATOM 7871 N N . ASP C 1 257 ? 16.627 69.315 -69.956 1.00 42.70 ? 324 ASP C N 1 ATOM 7872 C CA . ASP C 1 257 ? 15.624 69.613 -68.950 1.00 42.77 ? 324 ASP C CA 1 ATOM 7873 C C . ASP C 1 257 ? 14.608 70.613 -69.473 1.00 44.34 ? 324 ASP C C 1 ATOM 7874 O O . ASP C 1 257 ? 14.752 71.179 -70.581 1.00 39.59 ? 324 ASP C O 1 ATOM 7875 C CB . ASP C 1 257 ? 16.250 70.096 -67.630 1.00 41.76 ? 324 ASP C CB 1 ATOM 7876 C CG . ASP C 1 257 ? 15.534 69.510 -66.356 1.00 46.42 ? 324 ASP C CG 1 ATOM 7877 O OD1 . ASP C 1 257 ? 14.394 68.992 -66.454 1.00 50.60 ? 324 ASP C OD1 1 ATOM 7878 O OD2 . ASP C 1 257 ? 16.118 69.580 -65.256 1.00 43.08 ? 324 ASP C OD2 1 ATOM 7879 N N . THR C 1 258 ? 13.558 70.772 -68.663 1.00 41.64 ? 325 THR C N 1 ATOM 7880 C CA . THR C 1 258 ? 12.517 71.740 -68.896 1.00 42.67 ? 325 THR C CA 1 ATOM 7881 C C . THR C 1 258 ? 12.161 72.404 -67.565 1.00 41.00 ? 325 THR C C 1 ATOM 7882 O O . THR C 1 258 ? 11.862 71.714 -66.594 1.00 40.27 ? 325 THR C O 1 ATOM 7883 C CB . THR C 1 258 ? 11.277 71.039 -69.433 1.00 45.40 ? 325 THR C CB 1 ATOM 7884 O OG1 . THR C 1 258 ? 11.635 70.259 -70.580 1.00 43.11 ? 325 THR C OG1 1 ATOM 7885 C CG2 . THR C 1 258 ? 10.207 72.054 -69.795 1.00 44.82 ? 325 THR C CG2 1 ATOM 7886 N N . PRO C 1 259 ? 12.220 73.751 -67.478 1.00 42.10 ? 326 PRO C N 1 ATOM 7887 C CA . PRO C 1 259 ? 12.555 74.722 -68.506 1.00 38.31 ? 326 PRO C CA 1 ATOM 7888 C C . PRO C 1 259 ? 14.023 74.799 -68.865 1.00 35.76 ? 326 PRO C C 1 ATOM 7889 O O . PRO C 1 259 ? 14.837 74.105 -68.305 1.00 39.08 ? 326 PRO C O 1 ATOM 7890 C CB . PRO C 1 259 ? 12.077 76.018 -67.916 1.00 42.24 ? 326 PRO C CB 1 ATOM 7891 C CG . PRO C 1 259 ? 12.158 75.830 -66.441 1.00 44.31 ? 326 PRO C CG 1 ATOM 7892 C CD . PRO C 1 259 ? 11.877 74.394 -66.187 1.00 39.90 ? 326 PRO C CD 1 ATOM 7893 N N . ARG C 1 260 ? 14.325 75.558 -69.901 1.00 39.95 ? 327 ARG C N 1 ATOM 7894 C CA . ARG C 1 260 ? 15.703 75.698 -70.398 1.00 40.12 ? 327 ARG C CA 1 ATOM 7895 C C . ARG C 1 260 ? 15.760 76.876 -71.360 1.00 40.22 ? 327 ARG C C 1 ATOM 7896 O O . ARG C 1 260 ? 14.731 77.403 -71.779 1.00 41.69 ? 327 ARG C O 1 ATOM 7897 C CB . ARG C 1 260 ? 16.158 74.406 -71.117 1.00 42.53 ? 327 ARG C CB 1 ATOM 7898 C CG . ARG C 1 260 ? 15.349 74.076 -72.365 1.00 43.26 ? 327 ARG C CG 1 ATOM 7899 C CD . ARG C 1 260 ? 15.947 72.912 -73.147 1.00 47.56 ? 327 ARG C CD 1 ATOM 7900 N NE . ARG C 1 260 ? 15.144 72.614 -74.328 1.00 46.49 ? 327 ARG C NE 1 ATOM 7901 C CZ . ARG C 1 260 ? 14.045 71.872 -74.344 1.00 47.61 ? 327 ARG C CZ 1 ATOM 7902 N NH1 . ARG C 1 260 ? 13.394 71.730 -75.497 1.00 43.35 ? 327 ARG C NH1 1 ATOM 7903 N NH2 . ARG C 1 260 ? 13.570 71.270 -73.238 1.00 44.68 ? 327 ARG C NH2 1 ATOM 7904 N N . ASN C 1 261 ? 16.964 77.333 -71.677 1.00 45.44 ? 328 ASN C N 1 ATOM 7905 C CA . ASN C 1 261 ? 17.103 78.417 -72.658 1.00 45.05 ? 328 ASN C CA 1 ATOM 7906 C C . ASN C 1 261 ? 16.906 77.801 -74.018 1.00 46.26 ? 328 ASN C C 1 ATOM 7907 O O . ASN C 1 261 ? 16.998 76.576 -74.147 1.00 46.80 ? 328 ASN C O 1 ATOM 7908 C CB . ASN C 1 261 ? 18.493 79.031 -72.628 1.00 46.12 ? 328 ASN C CB 1 ATOM 7909 C CG . ASN C 1 261 ? 18.754 79.902 -71.414 1.00 46.37 ? 328 ASN C CG 1 ATOM 7910 O OD1 . ASN C 1 261 ? 17.870 80.299 -70.662 1.00 46.11 ? 328 ASN C OD1 1 ATOM 7911 N ND2 . ASN C 1 261 ? 20.007 80.184 -71.218 1.00 49.38 ? 328 ASN C ND2 1 ATOM 7912 N N . ASP C 1 262 ? 16.650 78.643 -75.005 1.00 46.47 ? 329 ASP C N 1 ATOM 7913 C CA . ASP C 1 262 ? 16.626 78.221 -76.409 1.00 52.45 ? 329 ASP C CA 1 ATOM 7914 C C . ASP C 1 262 ? 18.017 77.750 -76.835 1.00 50.97 ? 329 ASP C C 1 ATOM 7915 O O . ASP C 1 262 ? 19.027 78.006 -76.150 1.00 46.95 ? 329 ASP C O 1 ATOM 7916 C CB . ASP C 1 262 ? 16.185 79.354 -77.340 1.00 53.64 ? 329 ASP C CB 1 ATOM 7917 C CG . ASP C 1 262 ? 17.251 80.429 -77.471 1.00 61.99 ? 329 ASP C CG 1 ATOM 7918 O OD1 . ASP C 1 262 ? 18.091 80.366 -78.394 1.00 68.82 ? 329 ASP C OD1 1 ATOM 7919 O OD2 . ASP C 1 262 ? 17.284 81.318 -76.607 1.00 77.98 ? 329 ASP C OD2 1 ATOM 7920 N N . ASP C 1 263 ? 18.027 77.076 -77.975 1.00 50.11 ? 330 ASP C N 1 ATOM 7921 C CA . ASP C 1 263 ? 19.189 76.345 -78.488 1.00 57.26 ? 330 ASP C CA 1 ATOM 7922 C C . ASP C 1 263 ? 20.412 77.189 -78.815 1.00 53.02 ? 330 ASP C C 1 ATOM 7923 O O . ASP C 1 263 ? 21.546 76.697 -78.750 1.00 57.30 ? 330 ASP C O 1 ATOM 7924 C CB . ASP C 1 263 ? 18.808 75.532 -79.746 1.00 56.76 ? 330 ASP C CB 1 ATOM 7925 C CG . ASP C 1 263 ? 17.945 74.297 -79.426 1.00 62.71 ? 330 ASP C CG 1 ATOM 7926 O OD1 . ASP C 1 263 ? 17.850 73.882 -78.240 1.00 63.11 ? 330 ASP C OD1 1 ATOM 7927 O OD2 . ASP C 1 263 ? 17.395 73.686 -80.369 1.00 66.57 ? 330 ASP C OD2 1 ATOM 7928 N N . SER C 1 264 ? 20.227 78.451 -79.128 1.00 51.68 ? 331 SER C N 1 ATOM 7929 C CA . SER C 1 264 ? 21.412 79.252 -79.380 1.00 58.76 ? 331 SER C CA 1 ATOM 7930 C C . SER C 1 264 ? 22.042 79.830 -78.108 1.00 56.09 ? 331 SER C C 1 ATOM 7931 O O . SER C 1 264 ? 23.219 80.139 -78.110 1.00 60.21 ? 331 SER C O 1 ATOM 7932 C CB . SER C 1 264 ? 21.175 80.318 -80.446 1.00 58.51 ? 331 SER C CB 1 ATOM 7933 O OG . SER C 1 264 ? 19.943 80.929 -80.243 1.00 64.07 ? 331 SER C OG 1 ATOM 7934 N N . SER C 1 265 ? 21.304 79.930 -77.018 1.00 53.87 ? 332 SER C N 1 ATOM 7935 C CA . SER C 1 265 ? 21.891 80.474 -75.800 1.00 55.78 ? 332 SER C CA 1 ATOM 7936 C C . SER C 1 265 ? 22.069 79.475 -74.632 1.00 54.54 ? 332 SER C C 1 ATOM 7937 O O . SER C 1 265 ? 22.391 79.858 -73.489 1.00 56.26 ? 332 SER C O 1 ATOM 7938 C CB . SER C 1 265 ? 21.067 81.669 -75.362 1.00 57.60 ? 332 SER C CB 1 ATOM 7939 O OG . SER C 1 265 ? 19.732 81.263 -75.220 1.00 67.81 ? 332 SER C OG 1 ATOM 7940 N N . SER C 1 266 ? 21.837 78.201 -74.904 1.00 53.17 ? 333 SER C N 1 ATOM 7941 C CA . SER C 1 266 ? 21.914 77.193 -73.854 1.00 52.24 ? 333 SER C CA 1 ATOM 7942 C C . SER C 1 266 ? 23.339 76.691 -73.787 1.00 47.55 ? 333 SER C C 1 ATOM 7943 O O . SER C 1 266 ? 24.049 76.755 -74.770 1.00 47.63 ? 333 SER C O 1 ATOM 7944 C CB . SER C 1 266 ? 20.943 76.030 -74.099 1.00 50.05 ? 333 SER C CB 1 ATOM 7945 O OG . SER C 1 266 ? 21.224 75.394 -75.335 1.00 48.15 ? 333 SER C OG 1 ATOM 7946 N N . SER C 1 267 ? 23.752 76.181 -72.628 1.00 43.00 ? 334 SER C N 1 ATOM 7947 C CA . SER C 1 267 ? 25.110 75.651 -72.494 1.00 44.54 ? 334 SER C CA 1 ATOM 7948 C C . SER C 1 267 ? 25.300 74.609 -71.387 1.00 45.51 ? 334 SER C C 1 ATOM 7949 O O . SER C 1 267 ? 24.490 74.482 -70.478 1.00 45.79 ? 334 SER C O 1 ATOM 7950 C CB . SER C 1 267 ? 26.085 76.806 -72.228 1.00 45.19 ? 334 SER C CB 1 ATOM 7951 O OG . SER C 1 267 ? 25.904 77.318 -70.916 1.00 45.32 ? 334 SER C OG 1 ATOM 7952 N N . SER C 1 268 ? 26.416 73.891 -71.469 1.00 46.51 ? 335 SER C N 1 ATOM 7953 C CA . SER C 1 268 ? 26.892 72.981 -70.409 1.00 44.78 ? 335 SER C CA 1 ATOM 7954 C C . SER C 1 268 ? 28.403 72.934 -70.453 1.00 45.72 ? 335 SER C C 1 ATOM 7955 O O . SER C 1 268 ? 28.994 72.865 -71.537 1.00 51.26 ? 335 SER C O 1 ATOM 7956 C CB . SER C 1 268 ? 26.314 71.569 -70.609 1.00 43.21 ? 335 SER C CB 1 ATOM 7957 O OG . SER C 1 268 ? 26.706 70.675 -69.590 1.00 43.87 ? 335 SER C OG 1 ATOM 7958 N N . ASN C 1 269 ? 29.034 72.937 -69.292 1.00 48.85 ? 336 ASN C N 1 ATOM 7959 C CA . ASN C 1 269 ? 30.494 72.730 -69.220 1.00 52.80 ? 336 ASN C CA 1 ATOM 7960 C C . ASN C 1 269 ? 30.931 71.366 -68.706 1.00 52.38 ? 336 ASN C C 1 ATOM 7961 O O . ASN C 1 269 ? 32.056 71.224 -68.292 1.00 57.26 ? 336 ASN C O 1 ATOM 7962 C CB . ASN C 1 269 ? 31.124 73.816 -68.340 1.00 52.61 ? 336 ASN C CB 1 ATOM 7963 C CG . ASN C 1 269 ? 30.832 73.616 -66.871 1.00 53.08 ? 336 ASN C CG 1 ATOM 7964 O OD1 . ASN C 1 269 ? 30.153 72.705 -66.469 1.00 55.68 ? 336 ASN C OD1 1 ATOM 7965 N ND2 . ASN C 1 269 ? 31.381 74.479 -66.061 1.00 61.48 ? 336 ASN C ND2 1 ATOM 7966 N N . CYS C 1 270 ? 30.028 70.391 -68.677 1.00 48.37 ? 337 CYS C N 1 ATOM 7967 C CA . CYS C 1 270 ? 30.312 68.992 -68.210 1.00 53.67 ? 337 CYS C CA 1 ATOM 7968 C C . CYS C 1 270 ? 30.454 68.822 -66.700 1.00 51.90 ? 337 CYS C C 1 ATOM 7969 O O . CYS C 1 270 ? 30.381 67.709 -66.196 1.00 57.78 ? 337 CYS C O 1 ATOM 7970 C CB . CYS C 1 270 ? 31.513 68.306 -68.895 1.00 53.23 ? 337 CYS C CB 1 ATOM 7971 S SG . CYS C 1 270 ? 31.480 68.435 -70.716 1.00 79.60 ? 337 CYS C SG 1 ATOM 7972 N N . ARG C 1 271 ? 30.611 69.905 -65.964 1.00 55.32 ? 338 ARG C N 1 ATOM 7973 C CA . ARG C 1 271 ? 31.029 69.783 -64.584 1.00 61.54 ? 338 ARG C CA 1 ATOM 7974 C C . ARG C 1 271 ? 30.005 70.358 -63.597 1.00 57.40 ? 338 ARG C C 1 ATOM 7975 O O . ARG C 1 271 ? 29.782 69.797 -62.522 1.00 54.95 ? 338 ARG C O 1 ATOM 7976 C CB . ARG C 1 271 ? 32.400 70.442 -64.422 1.00 67.39 ? 338 ARG C CB 1 ATOM 7977 C CG . ARG C 1 271 ? 33.124 69.966 -63.171 1.00 78.66 ? 338 ARG C CG 1 ATOM 7978 C CD . ARG C 1 271 ? 34.506 70.547 -62.941 1.00 87.07 ? 338 ARG C CD 1 ATOM 7979 N NE . ARG C 1 271 ? 34.685 71.957 -63.192 1.00 96.61 ? 338 ARG C NE 1 ATOM 7980 C CZ . ARG C 1 271 ? 34.491 72.947 -62.332 1.00 93.69 ? 338 ARG C CZ 1 ATOM 7981 N NH1 . ARG C 1 271 ? 34.029 72.725 -61.098 1.00 98.96 ? 338 ARG C NH1 1 ATOM 7982 N NH2 . ARG C 1 271 ? 34.748 74.190 -62.736 1.00 81.62 ? 338 ARG C NH2 1 ATOM 7983 N N . ASP C 1 272 ? 29.393 71.474 -63.970 1.00 48.26 ? 339 ASP C N 1 ATOM 7984 C CA . ASP C 1 272 ? 28.561 72.231 -63.061 1.00 46.85 ? 339 ASP C CA 1 ATOM 7985 C C . ASP C 1 272 ? 27.182 72.471 -63.616 1.00 48.41 ? 339 ASP C C 1 ATOM 7986 O O . ASP C 1 272 ? 26.962 72.440 -64.849 1.00 45.20 ? 339 ASP C O 1 ATOM 7987 C CB . ASP C 1 272 ? 29.196 73.607 -62.796 1.00 47.47 ? 339 ASP C CB 1 ATOM 7988 C CG . ASP C 1 272 ? 30.663 73.518 -62.391 1.00 53.55 ? 339 ASP C CG 1 ATOM 7989 O OD1 . ASP C 1 272 ? 31.004 72.775 -61.436 1.00 56.93 ? 339 ASP C OD1 1 ATOM 7990 O OD2 . ASP C 1 272 ? 31.481 74.206 -63.034 1.00 59.26 ? 339 ASP C OD2 1 ATOM 7991 N N . PRO C 1 273 ? 26.230 72.736 -62.710 1.00 46.46 ? 340 PRO C N 1 ATOM 7992 C CA . PRO C 1 273 ? 24.924 73.130 -63.211 1.00 44.12 ? 340 PRO C CA 1 ATOM 7993 C C . PRO C 1 273 ? 25.135 74.417 -63.956 1.00 44.91 ? 340 PRO C C 1 ATOM 7994 O O . PRO C 1 273 ? 25.942 75.231 -63.530 1.00 46.33 ? 340 PRO C O 1 ATOM 7995 C CB . PRO C 1 273 ? 24.091 73.349 -61.946 1.00 45.46 ? 340 PRO C CB 1 ATOM 7996 C CG . PRO C 1 273 ? 25.091 73.439 -60.808 1.00 44.23 ? 340 PRO C CG 1 ATOM 7997 C CD . PRO C 1 273 ? 26.327 72.737 -61.236 1.00 41.86 ? 340 PRO C CD 1 ATOM 7998 N N . ASN C 1 274 ? 24.386 74.620 -65.023 1.00 45.84 ? 341 ASN C N 1 ATOM 7999 C CA . ASN C 1 274 ? 24.594 75.759 -65.915 1.00 44.23 ? 341 ASN C CA 1 ATOM 8000 C C . ASN C 1 274 ? 23.953 77.054 -65.460 1.00 44.23 ? 341 ASN C C 1 ATOM 8001 O O . ASN C 1 274 ? 24.158 78.069 -66.092 1.00 42.16 ? 341 ASN C O 1 ATOM 8002 C CB . ASN C 1 274 ? 24.142 75.423 -67.347 1.00 43.79 ? 341 ASN C CB 1 ATOM 8003 C CG . ASN C 1 274 ? 22.660 75.099 -67.458 1.00 44.96 ? 341 ASN C CG 1 ATOM 8004 O OD1 . ASN C 1 274 ? 21.864 75.269 -66.510 1.00 44.20 ? 341 ASN C OD1 1 ATOM 8005 N ND2 . ASN C 1 274 ? 22.263 74.648 -68.646 1.00 42.15 ? 341 ASN C ND2 1 ATOM 8006 N N . ASN C 1 275 ? 23.162 77.009 -64.375 1.00 45.30 ? 342 ASN C N 1 ATOM 8007 C CA . ASN C 1 275 ? 22.428 78.182 -63.869 1.00 46.01 ? 342 ASN C CA 1 ATOM 8008 C C . ASN C 1 275 ? 21.491 78.857 -64.849 1.00 45.82 ? 342 ASN C C 1 ATOM 8009 O O . ASN C 1 275 ? 21.276 80.053 -64.762 1.00 46.39 ? 342 ASN C O 1 ATOM 8010 C CB . ASN C 1 275 ? 23.368 79.220 -63.266 1.00 50.70 ? 342 ASN C CB 1 ATOM 8011 C CG . ASN C 1 275 ? 23.980 78.719 -61.967 1.00 65.33 ? 342 ASN C CG 1 ATOM 8012 O OD1 . ASN C 1 275 ? 23.263 78.497 -60.980 1.00 69.68 ? 342 ASN C OD1 1 ATOM 8013 N ND2 . ASN C 1 275 ? 25.289 78.530 -61.960 1.00 60.31 ? 342 ASN C ND2 1 ATOM 8014 N N . GLU C 1 276 ? 20.915 78.075 -65.746 1.00 47.38 ? 343 GLU C N 1 ATOM 8015 C CA . GLU C 1 276 ? 20.008 78.570 -66.760 1.00 44.95 ? 343 GLU C CA 1 ATOM 8016 C C . GLU C 1 276 ? 18.672 77.881 -66.505 1.00 48.40 ? 343 GLU C C 1 ATOM 8017 O O . GLU C 1 276 ? 18.475 76.705 -66.843 1.00 49.07 ? 343 GLU C O 1 ATOM 8018 C CB . GLU C 1 276 ? 20.513 78.258 -68.166 1.00 45.97 ? 343 GLU C CB 1 ATOM 8019 C CG . GLU C 1 276 ? 21.890 78.852 -68.506 1.00 51.83 ? 343 GLU C CG 1 ATOM 8020 C CD . GLU C 1 276 ? 22.588 78.211 -69.732 1.00 54.20 ? 343 GLU C CD 1 ATOM 8021 O OE1 . GLU C 1 276 ? 22.022 77.342 -70.450 1.00 53.18 ? 343 GLU C OE1 1 ATOM 8022 O OE2 . GLU C 1 276 ? 23.743 78.570 -69.986 1.00 60.90 ? 343 GLU C OE2 1 ATOM 8023 N N . ARG C 1 277 ? 17.751 78.626 -65.909 1.00 43.18 ? 344 ARG C N 1 ATOM 8024 C CA . ARG C 1 277 ? 16.391 78.170 -65.714 1.00 44.03 ? 344 ARG C CA 1 ATOM 8025 C C . ARG C 1 277 ? 16.328 76.783 -65.070 1.00 45.07 ? 344 ARG C C 1 ATOM 8026 O O . ARG C 1 277 ? 15.672 75.854 -65.562 1.00 50.99 ? 344 ARG C O 1 ATOM 8027 C CB . ARG C 1 277 ? 15.644 78.192 -67.062 1.00 45.49 ? 344 ARG C CB 1 ATOM 8028 C CG . ARG C 1 277 ? 15.616 79.578 -67.676 1.00 45.13 ? 344 ARG C CG 1 ATOM 8029 C CD . ARG C 1 277 ? 14.765 79.625 -68.924 1.00 47.73 ? 344 ARG C CD 1 ATOM 8030 N NE . ARG C 1 277 ? 13.334 79.687 -68.599 1.00 48.47 ? 344 ARG C NE 1 ATOM 8031 C CZ . ARG C 1 277 ? 12.352 79.436 -69.478 1.00 48.78 ? 344 ARG C CZ 1 ATOM 8032 N NH1 . ARG C 1 277 ? 12.593 79.034 -70.725 1.00 47.82 ? 344 ARG C NH1 1 ATOM 8033 N NH2 . ARG C 1 277 ? 11.110 79.542 -69.112 1.00 46.20 ? 344 ARG C NH2 1 ATOM 8034 N N . GLY C 1 278 ? 17.013 76.673 -63.949 1.00 40.99 ? 345 GLY C N 1 ATOM 8035 C CA . GLY C 1 278 ? 17.245 75.408 -63.297 1.00 43.27 ? 345 GLY C CA 1 ATOM 8036 C C . GLY C 1 278 ? 16.070 74.770 -62.573 1.00 44.78 ? 345 GLY C C 1 ATOM 8037 O O . GLY C 1 278 ? 16.033 73.560 -62.413 1.00 43.07 ? 345 GLY C O 1 ATOM 8038 N N . ASN C 1 279 ? 15.057 75.540 -62.230 1.00 45.63 ? 346 ASN C N 1 ATOM 8039 C CA . ASN C 1 279 ? 13.931 74.975 -61.513 1.00 43.69 ? 346 ASN C CA 1 ATOM 8040 C C . ASN C 1 279 ? 12.609 75.090 -62.314 1.00 43.27 ? 346 ASN C C 1 ATOM 8041 O O . ASN C 1 279 ? 12.443 75.983 -63.104 1.00 45.12 ? 346 ASN C O 1 ATOM 8042 C CB . ASN C 1 279 ? 13.891 75.563 -60.098 1.00 50.85 ? 346 ASN C CB 1 ATOM 8043 C CG . ASN C 1 279 ? 13.102 76.850 -59.993 1.00 50.74 ? 346 ASN C CG 1 ATOM 8044 O OD1 . ASN C 1 279 ? 12.063 76.933 -59.308 1.00 60.43 ? 346 ASN C OD1 1 ATOM 8045 N ND2 . ASN C 1 279 ? 13.612 77.869 -60.637 1.00 48.55 ? 346 ASN C ND2 1 ATOM 8046 N N . PRO C 1 280 ? 11.693 74.137 -62.153 1.00 42.52 ? 347 PRO C N 1 ATOM 8047 C CA . PRO C 1 280 ? 11.804 72.921 -61.301 1.00 39.68 ? 347 PRO C CA 1 ATOM 8048 C C . PRO C 1 280 ? 12.422 71.684 -62.006 1.00 46.57 ? 347 PRO C C 1 ATOM 8049 O O . PRO C 1 280 ? 12.609 70.664 -61.352 1.00 41.85 ? 347 PRO C O 1 ATOM 8050 C CB . PRO C 1 280 ? 10.348 72.608 -61.017 1.00 40.22 ? 347 PRO C CB 1 ATOM 8051 C CG . PRO C 1 280 ? 9.652 72.993 -62.311 1.00 40.16 ? 347 PRO C CG 1 ATOM 8052 C CD . PRO C 1 280 ? 10.374 74.232 -62.814 1.00 38.22 ? 347 PRO C CD 1 ATOM 8053 N N . GLY C 1 281 ? 12.552 71.717 -63.344 1.00 39.84 ? 348 GLY C N 1 ATOM 8054 C CA . GLY C 1 281 ? 12.964 70.539 -64.076 1.00 39.96 ? 348 GLY C CA 1 ATOM 8055 C C . GLY C 1 281 ? 11.892 69.491 -64.258 1.00 39.21 ? 348 GLY C C 1 ATOM 8056 O O . GLY C 1 281 ? 10.755 69.628 -63.770 1.00 39.95 ? 348 GLY C O 1 ATOM 8057 N N . VAL C 1 282 ? 12.287 68.405 -64.916 1.00 36.82 ? 349 VAL C N 1 ATOM 8058 C CA . VAL C 1 282 ? 11.405 67.288 -65.177 1.00 38.79 ? 349 VAL C CA 1 ATOM 8059 C C . VAL C 1 282 ? 12.223 66.013 -65.287 1.00 38.60 ? 349 VAL C C 1 ATOM 8060 O O . VAL C 1 282 ? 13.347 66.044 -65.765 1.00 43.35 ? 349 VAL C O 1 ATOM 8061 C CB . VAL C 1 282 ? 10.560 67.540 -66.471 1.00 36.77 ? 349 VAL C CB 1 ATOM 8062 C CG1 . VAL C 1 282 ? 11.431 67.437 -67.727 1.00 39.22 ? 349 VAL C CG1 1 ATOM 8063 C CG2 . VAL C 1 282 ? 9.423 66.522 -66.607 1.00 34.98 ? 349 VAL C CG2 1 ATOM 8064 N N . LYS C 1 283 ? 11.658 64.869 -64.894 1.00 38.19 ? 350 LYS C N 1 ATOM 8065 C CA . LYS C 1 283 ? 12.370 63.589 -65.092 1.00 30.71 ? 350 LYS C CA 1 ATOM 8066 C C . LYS C 1 283 ? 12.558 63.286 -66.587 1.00 33.88 ? 350 LYS C C 1 ATOM 8067 O O . LYS C 1 283 ? 11.642 63.433 -67.396 1.00 35.06 ? 350 LYS C O 1 ATOM 8068 C CB . LYS C 1 283 ? 11.627 62.469 -64.431 1.00 31.43 ? 350 LYS C CB 1 ATOM 8069 C CG . LYS C 1 283 ? 12.321 61.120 -64.564 1.00 33.39 ? 350 LYS C CG 1 ATOM 8070 C CD . LYS C 1 283 ? 11.442 59.973 -64.069 1.00 35.00 ? 350 LYS C CD 1 ATOM 8071 C CE . LYS C 1 283 ? 12.071 58.618 -64.398 1.00 36.80 ? 350 LYS C CE 1 ATOM 8072 N NZ . LYS C 1 283 ? 13.330 58.355 -63.670 1.00 42.08 ? 350 LYS C NZ 1 ATOM 8073 N N . GLY C 1 284 ? 13.774 62.905 -66.951 1.00 37.63 ? 351 GLY C N 1 ATOM 8074 C CA . GLY C 1 284 ? 14.129 62.559 -68.306 1.00 33.07 ? 351 GLY C CA 1 ATOM 8075 C C . GLY C 1 284 ? 15.325 61.630 -68.336 1.00 36.28 ? 351 GLY C C 1 ATOM 8076 O O . GLY C 1 284 ? 15.675 61.043 -67.313 1.00 41.70 ? 351 GLY C O 1 ATOM 8077 N N . TRP C 1 285 ? 15.914 61.473 -69.512 1.00 34.44 ? 352 TRP C N 1 ATOM 8078 C CA . TRP C 1 285 ? 16.935 60.458 -69.764 1.00 33.69 ? 352 TRP C CA 1 ATOM 8079 C C . TRP C 1 285 ? 17.909 60.867 -70.875 1.00 34.67 ? 352 TRP C C 1 ATOM 8080 O O . TRP C 1 285 ? 17.634 61.749 -71.717 1.00 33.92 ? 352 TRP C O 1 ATOM 8081 C CB . TRP C 1 285 ? 16.295 59.124 -70.134 1.00 32.59 ? 352 TRP C CB 1 ATOM 8082 C CG . TRP C 1 285 ? 15.530 59.190 -71.395 1.00 37.68 ? 352 TRP C CG 1 ATOM 8083 C CD1 . TRP C 1 285 ? 14.222 59.503 -71.526 1.00 36.53 ? 352 TRP C CD1 1 ATOM 8084 C CD2 . TRP C 1 285 ? 16.049 58.988 -72.735 1.00 37.78 ? 352 TRP C CD2 1 ATOM 8085 N NE1 . TRP C 1 285 ? 13.884 59.526 -72.869 1.00 38.22 ? 352 TRP C NE1 1 ATOM 8086 C CE2 . TRP C 1 285 ? 14.992 59.196 -73.622 1.00 36.89 ? 352 TRP C CE2 1 ATOM 8087 C CE3 . TRP C 1 285 ? 17.308 58.654 -73.256 1.00 38.23 ? 352 TRP C CE3 1 ATOM 8088 C CZ2 . TRP C 1 285 ? 15.154 59.115 -75.020 1.00 39.33 ? 352 TRP C CZ2 1 ATOM 8089 C CZ3 . TRP C 1 285 ? 17.470 58.569 -74.649 1.00 35.48 ? 352 TRP C CZ3 1 ATOM 8090 C CH2 . TRP C 1 285 ? 16.407 58.814 -75.506 1.00 37.84 ? 352 TRP C CH2 1 ATOM 8091 N N . ALA C 1 286 ? 19.027 60.169 -70.876 1.00 36.44 ? 353 ALA C N 1 ATOM 8092 C CA . ALA C 1 286 ? 20.040 60.238 -71.951 1.00 33.08 ? 353 ALA C CA 1 ATOM 8093 C C . ALA C 1 286 ? 20.976 59.081 -71.789 1.00 36.83 ? 353 ALA C C 1 ATOM 8094 O O . ALA C 1 286 ? 21.017 58.440 -70.734 1.00 35.98 ? 353 ALA C O 1 ATOM 8095 C CB . ALA C 1 286 ? 20.810 61.499 -71.883 1.00 33.59 ? 353 ALA C CB 1 ATOM 8096 N N . PHE C 1 287 ? 21.657 58.718 -72.872 1.00 39.26 ? 354 PHE C N 1 ATOM 8097 C CA . PHE C 1 287 ? 22.683 57.724 -72.764 1.00 35.45 ? 354 PHE C CA 1 ATOM 8098 C C . PHE C 1 287 ? 23.815 57.977 -73.751 1.00 39.74 ? 354 PHE C C 1 ATOM 8099 O O . PHE C 1 287 ? 23.619 58.579 -74.807 1.00 38.62 ? 354 PHE C O 1 ATOM 8100 C CB . PHE C 1 287 ? 22.115 56.266 -72.835 1.00 40.53 ? 354 PHE C CB 1 ATOM 8101 C CG . PHE C 1 287 ? 21.550 55.865 -74.185 1.00 38.01 ? 354 PHE C CG 1 ATOM 8102 C CD1 . PHE C 1 287 ? 20.236 56.087 -74.494 1.00 35.76 ? 354 PHE C CD1 1 ATOM 8103 C CD2 . PHE C 1 287 ? 22.358 55.229 -75.124 1.00 39.08 ? 354 PHE C CD2 1 ATOM 8104 C CE1 . PHE C 1 287 ? 19.703 55.703 -75.734 1.00 39.49 ? 354 PHE C CE1 1 ATOM 8105 C CE2 . PHE C 1 287 ? 21.831 54.807 -76.351 1.00 42.77 ? 354 PHE C CE2 1 ATOM 8106 C CZ . PHE C 1 287 ? 20.503 55.061 -76.676 1.00 39.48 ? 354 PHE C CZ 1 ATOM 8107 N N . ASP C 1 288 ? 24.968 57.398 -73.417 1.00 39.83 ? 355 ASP C N 1 ATOM 8108 C CA . ASP C 1 288 ? 26.176 57.555 -74.173 1.00 44.97 ? 355 ASP C CA 1 ATOM 8109 C C . ASP C 1 288 ? 26.349 56.490 -75.227 1.00 44.46 ? 355 ASP C C 1 ATOM 8110 O O . ASP C 1 288 ? 25.989 55.352 -75.019 1.00 41.05 ? 355 ASP C O 1 ATOM 8111 C CB . ASP C 1 288 ? 27.380 57.520 -73.240 1.00 45.11 ? 355 ASP C CB 1 ATOM 8112 C CG . ASP C 1 288 ? 27.547 56.187 -72.548 1.00 44.85 ? 355 ASP C CG 1 ATOM 8113 O OD1 . ASP C 1 288 ? 26.768 55.834 -71.615 1.00 46.25 ? 355 ASP C OD1 1 ATOM 8114 O OD2 . ASP C 1 288 ? 28.504 55.494 -72.909 1.00 48.70 ? 355 ASP C OD2 1 ATOM 8115 N N . ASN C 1 289 ? 26.867 56.906 -76.372 1.00 44.38 ? 356 ASN C N 1 ATOM 8116 C CA . ASN C 1 289 ? 27.393 55.983 -77.371 1.00 42.65 ? 356 ASN C CA 1 ATOM 8117 C C . ASN C 1 289 ? 28.710 56.523 -77.882 1.00 44.90 ? 356 ASN C C 1 ATOM 8118 O O . ASN C 1 289 ? 28.741 57.390 -78.794 1.00 42.85 ? 356 ASN C O 1 ATOM 8119 C CB . ASN C 1 289 ? 26.425 55.785 -78.531 1.00 45.26 ? 356 ASN C CB 1 ATOM 8120 C CG . ASN C 1 289 ? 26.863 54.653 -79.436 1.00 51.55 ? 356 ASN C CG 1 ATOM 8121 O OD1 . ASN C 1 289 ? 27.061 54.847 -80.630 1.00 50.43 ? 356 ASN C OD1 1 ATOM 8122 N ND2 . ASN C 1 289 ? 27.119 53.490 -78.859 1.00 48.00 ? 356 ASN C ND2 1 ATOM 8123 N N . GLY C 1 290 ? 29.791 56.060 -77.255 1.00 43.48 ? 357 GLY C N 1 ATOM 8124 C CA . GLY C 1 290 ? 31.124 56.616 -77.487 1.00 44.60 ? 357 GLY C CA 1 ATOM 8125 C C . GLY C 1 290 ? 31.163 58.089 -77.105 1.00 47.97 ? 357 GLY C C 1 ATOM 8126 O O . GLY C 1 290 ? 30.971 58.444 -75.943 1.00 47.45 ? 357 GLY C O 1 ATOM 8127 N N . ASN C 1 291 ? 31.444 58.943 -78.079 1.00 48.17 ? 358 ASN C N 1 ATOM 8128 C CA . ASN C 1 291 ? 31.489 60.380 -77.878 1.00 49.80 ? 358 ASN C CA 1 ATOM 8129 C C . ASN C 1 291 ? 30.147 61.051 -78.020 1.00 46.43 ? 358 ASN C C 1 ATOM 8130 O O . ASN C 1 291 ? 30.004 62.239 -77.659 1.00 44.96 ? 358 ASN C O 1 ATOM 8131 C CB . ASN C 1 291 ? 32.477 61.025 -78.875 1.00 49.85 ? 358 ASN C CB 1 ATOM 8132 C CG . ASN C 1 291 ? 33.912 60.655 -78.576 1.00 51.87 ? 358 ASN C CG 1 ATOM 8133 O OD1 . ASN C 1 291 ? 34.368 60.716 -77.431 1.00 59.86 ? 358 ASN C OD1 1 ATOM 8134 N ND2 . ASN C 1 291 ? 34.620 60.254 -79.578 1.00 54.36 ? 358 ASN C ND2 1 ATOM 8135 N N . ASP C 1 292 ? 29.187 60.297 -78.550 1.00 38.20 ? 359 ASP C N 1 ATOM 8136 C CA . ASP C 1 292 ? 27.872 60.823 -78.841 1.00 41.46 ? 359 ASP C CA 1 ATOM 8137 C C . ASP C 1 292 ? 26.920 60.603 -77.660 1.00 41.56 ? 359 ASP C C 1 ATOM 8138 O O . ASP C 1 292 ? 27.149 59.726 -76.796 1.00 39.22 ? 359 ASP C O 1 ATOM 8139 C CB . ASP C 1 292 ? 27.319 60.155 -80.100 1.00 45.09 ? 359 ASP C CB 1 ATOM 8140 C CG . ASP C 1 292 ? 28.180 60.427 -81.355 1.00 49.13 ? 359 ASP C CG 1 ATOM 8141 O OD1 . ASP C 1 292 ? 29.126 61.265 -81.315 1.00 55.91 ? 359 ASP C OD1 1 ATOM 8142 O OD2 . ASP C 1 292 ? 27.819 59.896 -82.425 1.00 58.76 ? 359 ASP C OD2 1 ATOM 8143 N N . VAL C 1 293 ? 25.852 61.397 -77.620 1.00 38.86 ? 360 VAL C N 1 ATOM 8144 C CA . VAL C 1 293 ? 24.758 61.140 -76.708 1.00 40.34 ? 360 VAL C CA 1 ATOM 8145 C C . VAL C 1 293 ? 23.491 60.985 -77.509 1.00 40.22 ? 360 VAL C C 1 ATOM 8146 O O . VAL C 1 293 ? 23.228 61.787 -78.405 1.00 38.49 ? 360 VAL C O 1 ATOM 8147 C CB . VAL C 1 293 ? 24.261 62.315 -75.833 1.00 42.07 ? 360 VAL C CB 1 ATOM 8148 C CG1 . VAL C 1 293 ? 24.108 61.900 -74.404 1.00 39.40 ? 360 VAL C CG1 1 ATOM 8149 C CG2 . VAL C 1 293 ? 24.933 63.612 -76.073 1.00 41.62 ? 360 VAL C CG2 1 ATOM 8150 N N . TRP C 1 294 ? 22.643 60.087 -77.028 1.00 39.01 ? 361 TRP C N 1 ATOM 8151 C CA . TRP C 1 294 ? 21.244 60.083 -77.410 1.00 43.48 ? 361 TRP C CA 1 ATOM 8152 C C . TRP C 1 294 ? 20.444 60.641 -76.243 1.00 41.00 ? 361 TRP C C 1 ATOM 8153 O O . TRP C 1 294 ? 20.667 60.242 -75.095 1.00 36.05 ? 361 TRP C O 1 ATOM 8154 C CB . TRP C 1 294 ? 20.801 58.647 -77.686 1.00 39.19 ? 361 TRP C CB 1 ATOM 8155 C CG . TRP C 1 294 ? 21.248 58.076 -79.006 1.00 39.34 ? 361 TRP C CG 1 ATOM 8156 C CD1 . TRP C 1 294 ? 22.289 57.251 -79.204 1.00 37.71 ? 361 TRP C CD1 1 ATOM 8157 C CD2 . TRP C 1 294 ? 20.641 58.281 -80.285 1.00 36.26 ? 361 TRP C CD2 1 ATOM 8158 N NE1 . TRP C 1 294 ? 22.395 56.952 -80.527 1.00 39.41 ? 361 TRP C NE1 1 ATOM 8159 C CE2 . TRP C 1 294 ? 21.397 57.554 -81.222 1.00 36.66 ? 361 TRP C CE2 1 ATOM 8160 C CE3 . TRP C 1 294 ? 19.535 59.008 -80.734 1.00 38.14 ? 361 TRP C CE3 1 ATOM 8161 C CZ2 . TRP C 1 294 ? 21.081 57.499 -82.587 1.00 36.57 ? 361 TRP C CZ2 1 ATOM 8162 C CZ3 . TRP C 1 294 ? 19.243 59.010 -82.118 1.00 37.93 ? 361 TRP C CZ3 1 ATOM 8163 C CH2 . TRP C 1 294 ? 20.029 58.268 -83.021 1.00 38.61 ? 361 TRP C CH2 1 ATOM 8164 N N . MET C 1 295 ? 19.441 61.443 -76.545 1.00 38.19 ? 362 MET C N 1 ATOM 8165 C CA . MET C 1 295 ? 18.639 62.019 -75.493 1.00 38.83 ? 362 MET C CA 1 ATOM 8166 C C . MET C 1 295 ? 17.255 62.368 -75.977 1.00 38.76 ? 362 MET C C 1 ATOM 8167 O O . MET C 1 295 ? 17.026 62.507 -77.179 1.00 38.68 ? 362 MET C O 1 ATOM 8168 C CB . MET C 1 295 ? 19.302 63.264 -74.956 1.00 41.65 ? 362 MET C CB 1 ATOM 8169 C CG . MET C 1 295 ? 19.746 64.256 -76.030 1.00 43.57 ? 362 MET C CG 1 ATOM 8170 S SD . MET C 1 295 ? 20.549 65.732 -75.349 1.00 48.68 ? 362 MET C SD 1 ATOM 8171 C CE . MET C 1 295 ? 19.085 66.634 -74.872 1.00 49.22 ? 362 MET C CE 1 ATOM 8172 N N . GLY C 1 296 ? 16.330 62.473 -75.026 1.00 38.42 ? 363 GLY C N 1 ATOM 8173 C CA . GLY C 1 296 ? 14.998 62.996 -75.267 1.00 34.72 ? 363 GLY C CA 1 ATOM 8174 C C . GLY C 1 296 ? 14.785 64.283 -74.517 1.00 33.75 ? 363 GLY C C 1 ATOM 8175 O O . GLY C 1 296 ? 15.512 64.596 -73.590 1.00 37.47 ? 363 GLY C O 1 ATOM 8176 N N . ARG C 1 297 ? 13.780 65.044 -74.927 1.00 34.91 ? 364 ARG C N 1 ATOM 8177 C CA . ARG C 1 297 ? 13.335 66.206 -74.189 1.00 35.29 ? 364 ARG C CA 1 ATOM 8178 C C . ARG C 1 297 ? 12.035 66.738 -74.722 1.00 37.26 ? 364 ARG C C 1 ATOM 8179 O O . ARG C 1 297 ? 11.570 66.356 -75.796 1.00 37.49 ? 364 ARG C O 1 ATOM 8180 C CB . ARG C 1 297 ? 14.349 67.323 -74.262 1.00 39.74 ? 364 ARG C CB 1 ATOM 8181 C CG . ARG C 1 297 ? 14.502 67.906 -75.643 1.00 40.00 ? 364 ARG C CG 1 ATOM 8182 C CD . ARG C 1 297 ? 15.689 68.844 -75.691 1.00 45.09 ? 364 ARG C CD 1 ATOM 8183 N NE . ARG C 1 297 ? 15.725 69.616 -76.930 1.00 47.76 ? 364 ARG C NE 1 ATOM 8184 C CZ . ARG C 1 297 ? 16.583 70.572 -77.192 1.00 44.09 ? 364 ARG C CZ 1 ATOM 8185 N NH1 . ARG C 1 297 ? 16.483 71.212 -78.320 1.00 46.75 ? 364 ARG C NH1 1 ATOM 8186 N NH2 . ARG C 1 297 ? 17.543 70.903 -76.337 1.00 46.02 ? 364 ARG C NH2 1 ATOM 8187 N N . THR C 1 298 ? 11.400 67.583 -73.927 1.00 40.67 ? 365 THR C N 1 ATOM 8188 C CA . THR C 1 298 ? 10.130 68.187 -74.324 1.00 40.80 ? 365 THR C CA 1 ATOM 8189 C C . THR C 1 298 ? 10.467 69.116 -75.481 1.00 41.51 ? 365 THR C C 1 ATOM 8190 O O . THR C 1 298 ? 11.568 69.613 -75.557 1.00 44.61 ? 365 THR C O 1 ATOM 8191 C CB . THR C 1 298 ? 9.466 68.988 -73.171 1.00 42.22 ? 365 THR C CB 1 ATOM 8192 O OG1 . THR C 1 298 ? 10.308 70.067 -72.769 1.00 36.72 ? 365 THR C OG1 1 ATOM 8193 C CG2 . THR C 1 298 ? 9.165 68.131 -71.967 1.00 42.28 ? 365 THR C CG2 1 ATOM 8194 N N . ILE C 1 299 ? 9.514 69.360 -76.382 1.00 42.59 ? 366 ILE C N 1 ATOM 8195 C CA . ILE C 1 299 ? 9.764 70.282 -77.476 1.00 40.14 ? 366 ILE C CA 1 ATOM 8196 C C . ILE C 1 299 ? 9.743 71.732 -76.976 1.00 39.34 ? 366 ILE C C 1 ATOM 8197 O O . ILE C 1 299 ? 10.608 72.514 -77.325 1.00 41.89 ? 366 ILE C O 1 ATOM 8198 C CB . ILE C 1 299 ? 8.812 70.065 -78.677 1.00 40.92 ? 366 ILE C CB 1 ATOM 8199 C CG1 . ILE C 1 299 ? 9.208 68.762 -79.359 1.00 41.58 ? 366 ILE C CG1 1 ATOM 8200 C CG2 . ILE C 1 299 ? 8.925 71.207 -79.707 1.00 36.67 ? 366 ILE C CG2 1 ATOM 8201 C CD1 . ILE C 1 299 ? 8.122 68.236 -80.277 1.00 41.71 ? 366 ILE C CD1 1 ATOM 8202 N N . SER C 1 300 ? 8.795 72.060 -76.115 1.00 40.83 ? 367 SER C N 1 ATOM 8203 C CA . SER C 1 300 ? 8.761 73.371 -75.510 1.00 38.47 ? 367 SER C CA 1 ATOM 8204 C C . SER C 1 300 ? 9.934 73.516 -74.549 1.00 42.07 ? 367 SER C C 1 ATOM 8205 O O . SER C 1 300 ? 10.272 72.608 -73.786 1.00 46.63 ? 367 SER C O 1 ATOM 8206 C CB . SER C 1 300 ? 7.415 73.607 -74.799 1.00 40.36 ? 367 SER C CB 1 ATOM 8207 O OG . SER C 1 300 ? 7.465 74.701 -73.886 1.00 42.01 ? 367 SER C OG 1 ATOM 8208 N N . GLU C 1 301 ? 10.477 74.712 -74.522 1.00 46.15 ? 368 GLU C N 1 ATOM 8209 C CA . GLU C 1 301 ? 11.498 75.100 -73.571 1.00 45.60 ? 368 GLU C CA 1 ATOM 8210 C C . GLU C 1 301 ? 10.910 75.588 -72.260 1.00 47.65 ? 368 GLU C C 1 ATOM 8211 O O . GLU C 1 301 ? 11.650 75.767 -71.272 1.00 47.59 ? 368 GLU C O 1 ATOM 8212 C CB . GLU C 1 301 ? 12.335 76.226 -74.179 1.00 49.96 ? 368 GLU C CB 1 ATOM 8213 C CG . GLU C 1 301 ? 13.193 75.745 -75.336 1.00 63.87 ? 368 GLU C CG 1 ATOM 8214 C CD . GLU C 1 301 ? 13.088 76.570 -76.605 1.00 74.01 ? 368 GLU C CD 1 ATOM 8215 O OE1 . GLU C 1 301 ? 12.268 77.498 -76.643 1.00 96.36 ? 368 GLU C OE1 1 ATOM 8216 O OE2 . GLU C 1 301 ? 13.822 76.271 -77.580 1.00 92.47 ? 368 GLU C OE2 1 ATOM 8217 N N . ASP C 1 302 ? 9.605 75.828 -72.246 1.00 45.76 ? 369 ASP C N 1 ATOM 8218 C CA . ASP C 1 302 ? 8.926 76.396 -71.066 1.00 51.11 ? 369 ASP C CA 1 ATOM 8219 C C . ASP C 1 302 ? 8.116 75.398 -70.335 1.00 47.86 ? 369 ASP C C 1 ATOM 8220 O O . ASP C 1 302 ? 8.025 75.451 -69.159 1.00 47.07 ? 369 ASP C O 1 ATOM 8221 C CB . ASP C 1 302 ? 7.983 77.552 -71.467 1.00 48.37 ? 369 ASP C CB 1 ATOM 8222 C CG . ASP C 1 302 ? 8.705 78.651 -72.240 1.00 55.72 ? 369 ASP C CG 1 ATOM 8223 O OD1 . ASP C 1 302 ? 9.817 79.083 -71.801 1.00 57.82 ? 369 ASP C OD1 1 ATOM 8224 O OD2 . ASP C 1 302 ? 8.159 79.071 -73.292 1.00 61.07 ? 369 ASP C OD2 1 ATOM 8225 N N . SER C 1 303 ? 7.425 74.531 -71.044 1.00 53.73 ? 370 SER C N 1 ATOM 8226 C CA . SER C 1 303 ? 6.465 73.684 -70.368 1.00 46.74 ? 370 SER C CA 1 ATOM 8227 C C . SER C 1 303 ? 6.547 72.262 -70.896 1.00 44.44 ? 370 SER C C 1 ATOM 8228 O O . SER C 1 303 ? 7.281 71.959 -71.874 1.00 42.47 ? 370 SER C O 1 ATOM 8229 C CB . SER C 1 303 ? 5.075 74.285 -70.540 1.00 52.88 ? 370 SER C CB 1 ATOM 8230 O OG . SER C 1 303 ? 4.677 74.184 -71.893 1.00 60.98 ? 370 SER C OG 1 ATOM 8231 N N . ARG C 1 304 ? 5.872 71.373 -70.188 1.00 41.46 ? 371 ARG C N 1 ATOM 8232 C CA . ARG C 1 304 ? 5.932 69.930 -70.479 1.00 40.46 ? 371 ARG C CA 1 ATOM 8233 C C . ARG C 1 304 ? 4.953 69.602 -71.596 1.00 40.94 ? 371 ARG C C 1 ATOM 8234 O O . ARG C 1 304 ? 3.942 68.911 -71.396 1.00 39.84 ? 371 ARG C O 1 ATOM 8235 C CB . ARG C 1 304 ? 5.649 69.113 -69.232 1.00 39.41 ? 371 ARG C CB 1 ATOM 8236 C CG . ARG C 1 304 ? 6.630 69.374 -68.088 1.00 39.31 ? 371 ARG C CG 1 ATOM 8237 C CD . ARG C 1 304 ? 6.056 68.904 -66.769 1.00 41.66 ? 371 ARG C CD 1 ATOM 8238 N NE . ARG C 1 304 ? 7.042 69.057 -65.711 1.00 42.57 ? 371 ARG C NE 1 ATOM 8239 C CZ . ARG C 1 304 ? 6.968 68.512 -64.508 1.00 41.23 ? 371 ARG C CZ 1 ATOM 8240 N NH1 . ARG C 1 304 ? 5.936 67.732 -64.176 1.00 46.03 ? 371 ARG C NH1 1 ATOM 8241 N NH2 . ARG C 1 304 ? 7.944 68.714 -63.646 1.00 40.27 ? 371 ARG C NH2 1 ATOM 8242 N N . SER C 1 305 ? 5.320 70.071 -72.783 1.00 38.46 ? 372 SER C N 1 ATOM 8243 C CA . SER C 1 305 ? 4.541 69.875 -73.950 1.00 39.09 ? 372 SER C CA 1 ATOM 8244 C C . SER C 1 305 ? 5.482 69.401 -75.100 1.00 43.38 ? 372 SER C C 1 ATOM 8245 O O . SER C 1 305 ? 6.613 69.867 -75.264 1.00 43.57 ? 372 SER C O 1 ATOM 8246 C CB . SER C 1 305 ? 3.769 71.146 -74.276 1.00 37.87 ? 372 SER C CB 1 ATOM 8247 O OG . SER C 1 305 ? 4.579 72.073 -74.938 1.00 48.11 ? 372 SER C OG 1 ATOM 8248 N N . GLY C 1 306 ? 4.990 68.453 -75.880 1.00 41.15 ? 373 GLY C N 1 ATOM 8249 C CA . GLY C 1 306 ? 5.757 67.829 -76.934 1.00 38.80 ? 373 GLY C CA 1 ATOM 8250 C C . GLY C 1 306 ? 6.843 66.910 -76.408 1.00 38.17 ? 373 GLY C C 1 ATOM 8251 O O . GLY C 1 306 ? 7.162 66.880 -75.219 1.00 37.48 ? 373 GLY C O 1 ATOM 8252 N N . TYR C 1 307 ? 7.425 66.165 -77.324 1.00 38.13 ? 374 TYR C N 1 ATOM 8253 C CA . TYR C 1 307 ? 8.593 65.342 -77.045 1.00 41.77 ? 374 TYR C CA 1 ATOM 8254 C C . TYR C 1 307 ? 9.368 65.000 -78.335 1.00 42.91 ? 374 TYR C C 1 ATOM 8255 O O . TYR C 1 307 ? 8.759 64.688 -79.356 1.00 46.00 ? 374 TYR C O 1 ATOM 8256 C CB . TYR C 1 307 ? 8.191 64.050 -76.313 1.00 38.14 ? 374 TYR C CB 1 ATOM 8257 C CG . TYR C 1 307 ? 9.315 63.482 -75.512 1.00 34.58 ? 374 TYR C CG 1 ATOM 8258 C CD1 . TYR C 1 307 ? 9.542 63.900 -74.200 1.00 36.99 ? 374 TYR C CD1 1 ATOM 8259 C CD2 . TYR C 1 307 ? 10.155 62.523 -76.026 1.00 34.15 ? 374 TYR C CD2 1 ATOM 8260 C CE1 . TYR C 1 307 ? 10.599 63.395 -73.430 1.00 34.22 ? 374 TYR C CE1 1 ATOM 8261 C CE2 . TYR C 1 307 ? 11.195 61.990 -75.241 1.00 31.40 ? 374 TYR C CE2 1 ATOM 8262 C CZ . TYR C 1 307 ? 11.415 62.445 -73.957 1.00 33.09 ? 374 TYR C CZ 1 ATOM 8263 O OH . TYR C 1 307 ? 12.486 61.988 -73.201 1.00 34.04 ? 374 TYR C OH 1 ATOM 8264 N N . GLU C 1 308 ? 10.692 65.045 -78.236 1.00 42.63 ? 375 GLU C N 1 ATOM 8265 C CA . GLU C 1 308 ? 11.618 64.851 -79.367 1.00 40.51 ? 375 GLU C CA 1 ATOM 8266 C C . GLU C 1 308 ? 12.828 64.095 -78.880 1.00 41.00 ? 375 GLU C C 1 ATOM 8267 O O . GLU C 1 308 ? 13.212 64.189 -77.704 1.00 43.76 ? 375 GLU C O 1 ATOM 8268 C CB . GLU C 1 308 ? 12.081 66.179 -79.966 1.00 39.32 ? 375 GLU C CB 1 ATOM 8269 C CG . GLU C 1 308 ? 12.834 67.102 -79.000 1.00 46.96 ? 375 GLU C CG 1 ATOM 8270 C CD . GLU C 1 308 ? 13.263 68.466 -79.618 1.00 48.83 ? 375 GLU C CD 1 ATOM 8271 O OE1 . GLU C 1 308 ? 13.103 68.627 -80.832 1.00 47.35 ? 375 GLU C OE1 1 ATOM 8272 O OE2 . GLU C 1 308 ? 13.727 69.410 -78.889 1.00 46.92 ? 375 GLU C OE2 1 ATOM 8273 N N . THR C 1 309 ? 13.422 63.343 -79.785 1.00 36.64 ? 376 THR C N 1 ATOM 8274 C CA . THR C 1 309 ? 14.676 62.665 -79.522 1.00 42.55 ? 376 THR C CA 1 ATOM 8275 C C . THR C 1 309 ? 15.683 63.027 -80.616 1.00 43.20 ? 376 THR C C 1 ATOM 8276 O O . THR C 1 309 ? 15.289 63.342 -81.710 1.00 39.45 ? 376 THR C O 1 ATOM 8277 C CB . THR C 1 309 ? 14.556 61.107 -79.522 1.00 46.22 ? 376 THR C CB 1 ATOM 8278 O OG1 . THR C 1 309 ? 13.848 60.680 -80.695 1.00 48.60 ? 376 THR C OG1 1 ATOM 8279 C CG2 . THR C 1 309 ? 13.797 60.651 -78.355 1.00 58.66 ? 376 THR C CG2 1 ATOM 8280 N N . PHE C 1 310 ? 16.960 62.908 -80.282 1.00 39.88 ? 377 PHE C N 1 ATOM 8281 C CA . PHE C 1 310 ? 17.975 63.074 -81.220 1.00 40.88 ? 377 PHE C CA 1 ATOM 8282 C C . PHE C 1 310 ? 19.283 62.665 -80.627 1.00 40.87 ? 377 PHE C C 1 ATOM 8283 O O . PHE C 1 310 ? 19.423 62.351 -79.441 1.00 40.47 ? 377 PHE C O 1 ATOM 8284 C CB . PHE C 1 310 ? 18.055 64.537 -81.670 1.00 45.42 ? 377 PHE C CB 1 ATOM 8285 C CG . PHE C 1 310 ? 18.093 65.535 -80.539 1.00 42.91 ? 377 PHE C CG 1 ATOM 8286 C CD1 . PHE C 1 310 ? 19.274 65.787 -79.863 1.00 48.25 ? 377 PHE C CD1 1 ATOM 8287 C CD2 . PHE C 1 310 ? 16.986 66.266 -80.210 1.00 46.40 ? 377 PHE C CD2 1 ATOM 8288 C CE1 . PHE C 1 310 ? 19.338 66.726 -78.847 1.00 47.57 ? 377 PHE C CE1 1 ATOM 8289 C CE2 . PHE C 1 310 ? 17.024 67.223 -79.217 1.00 48.72 ? 377 PHE C CE2 1 ATOM 8290 C CZ . PHE C 1 310 ? 18.205 67.435 -78.509 1.00 52.44 ? 377 PHE C CZ 1 ATOM 8291 N N . ARG C 1 311 ? 20.263 62.674 -81.507 1.00 42.44 ? 378 ARG C N 1 ATOM 8292 C CA . ARG C 1 311 ? 21.624 62.412 -81.156 1.00 41.78 ? 378 ARG C CA 1 ATOM 8293 C C . ARG C 1 311 ? 22.413 63.685 -81.305 1.00 47.43 ? 378 ARG C C 1 ATOM 8294 O O . ARG C 1 311 ? 22.236 64.463 -82.290 1.00 45.68 ? 378 ARG C O 1 ATOM 8295 C CB . ARG C 1 311 ? 22.166 61.341 -82.070 1.00 45.01 ? 378 ARG C CB 1 ATOM 8296 C CG . ARG C 1 311 ? 23.593 60.977 -81.798 1.00 51.76 ? 378 ARG C CG 1 ATOM 8297 C CD . ARG C 1 311 ? 23.933 59.645 -82.390 1.00 55.79 ? 378 ARG C CD 1 ATOM 8298 N NE . ARG C 1 311 ? 24.799 59.768 -83.542 1.00 69.40 ? 378 ARG C NE 1 ATOM 8299 C CZ . ARG C 1 311 ? 24.440 59.597 -84.803 1.00 76.45 ? 378 ARG C CZ 1 ATOM 8300 N NH1 . ARG C 1 311 ? 25.344 59.764 -85.736 1.00 83.51 ? 378 ARG C NH1 1 ATOM 8301 N NH2 . ARG C 1 311 ? 23.208 59.273 -85.145 1.00 80.01 ? 378 ARG C NH2 1 ATOM 8302 N N . VAL C 1 312 ? 23.336 63.899 -80.369 1.00 41.75 ? 379 VAL C N 1 ATOM 8303 C CA . VAL C 1 312 ? 24.267 65.027 -80.505 1.00 42.08 ? 379 VAL C CA 1 ATOM 8304 C C . VAL C 1 312 ? 25.667 64.469 -80.692 1.00 40.61 ? 379 VAL C C 1 ATOM 8305 O O . VAL C 1 312 ? 26.177 63.764 -79.791 1.00 44.06 ? 379 VAL C O 1 ATOM 8306 C CB . VAL C 1 312 ? 24.240 65.911 -79.265 1.00 45.55 ? 379 VAL C CB 1 ATOM 8307 C CG1 . VAL C 1 312 ? 25.159 67.115 -79.426 1.00 46.61 ? 379 VAL C CG1 1 ATOM 8308 C CG2 . VAL C 1 312 ? 22.826 66.376 -78.990 1.00 41.38 ? 379 VAL C CG2 1 ATOM 8309 N N . THR C 1 313 ? 26.279 64.744 -81.851 1.00 43.37 ? 380 THR C N 1 ATOM 8310 C CA . THR C 1 313 ? 27.608 64.177 -82.166 1.00 45.13 ? 380 THR C CA 1 ATOM 8311 C C . THR C 1 313 ? 28.579 64.885 -81.240 1.00 42.97 ? 380 THR C C 1 ATOM 8312 O O . THR C 1 313 ? 28.509 66.082 -81.041 1.00 44.55 ? 380 THR C O 1 ATOM 8313 C CB . THR C 1 313 ? 28.035 64.281 -83.663 1.00 51.02 ? 380 THR C CB 1 ATOM 8314 O OG1 . THR C 1 313 ? 28.098 65.645 -84.024 1.00 66.83 ? 380 THR C OG1 1 ATOM 8315 C CG2 . THR C 1 313 ? 27.038 63.618 -84.577 1.00 48.88 ? 380 THR C CG2 1 ATOM 8316 N N . ASP C 1 314 ? 29.432 64.107 -80.601 1.00 46.32 ? 381 ASP C N 1 ATOM 8317 C CA . ASP C 1 314 ? 30.359 64.624 -79.588 1.00 51.55 ? 381 ASP C CA 1 ATOM 8318 C C . ASP C 1 314 ? 29.698 65.193 -78.348 1.00 48.27 ? 381 ASP C C 1 ATOM 8319 O O . ASP C 1 314 ? 30.378 65.732 -77.472 1.00 52.02 ? 381 ASP C O 1 ATOM 8320 C CB . ASP C 1 314 ? 31.317 65.622 -80.209 1.00 57.39 ? 381 ASP C CB 1 ATOM 8321 C CG . ASP C 1 314 ? 32.211 64.959 -81.273 1.00 62.49 ? 381 ASP C CG 1 ATOM 8322 O OD1 . ASP C 1 314 ? 32.861 63.932 -80.981 1.00 66.30 ? 381 ASP C OD1 1 ATOM 8323 O OD2 . ASP C 1 314 ? 32.235 65.446 -82.408 1.00 69.19 ? 381 ASP C OD2 1 ATOM 8324 N N . GLY C 1 315 ? 28.406 64.953 -78.194 1.00 47.25 ? 382 GLY C N 1 ATOM 8325 C CA . GLY C 1 315 ? 27.664 65.545 -77.078 1.00 46.81 ? 382 GLY C CA 1 ATOM 8326 C C . GLY C 1 315 ? 27.910 64.877 -75.737 1.00 45.49 ? 382 GLY C C 1 ATOM 8327 O O . GLY C 1 315 ? 27.458 65.381 -74.702 1.00 42.42 ? 382 GLY C O 1 ATOM 8328 N N . TRP C 1 316 ? 28.571 63.718 -75.746 1.00 41.54 ? 383 TRP C N 1 ATOM 8329 C CA . TRP C 1 316 ? 28.932 63.074 -74.507 1.00 44.87 ? 383 TRP C CA 1 ATOM 8330 C C . TRP C 1 316 ? 30.291 63.476 -73.952 1.00 47.95 ? 383 TRP C C 1 ATOM 8331 O O . TRP C 1 316 ? 30.467 63.492 -72.740 1.00 49.30 ? 383 TRP C O 1 ATOM 8332 C CB . TRP C 1 316 ? 28.912 61.555 -74.643 1.00 45.47 ? 383 TRP C CB 1 ATOM 8333 C CG . TRP C 1 316 ? 28.970 60.874 -73.261 1.00 47.24 ? 383 TRP C CG 1 ATOM 8334 C CD1 . TRP C 1 316 ? 30.026 60.254 -72.706 1.00 43.73 ? 383 TRP C CD1 1 ATOM 8335 C CD2 . TRP C 1 316 ? 27.919 60.834 -72.282 1.00 45.51 ? 383 TRP C CD2 1 ATOM 8336 N NE1 . TRP C 1 316 ? 29.699 59.798 -71.451 1.00 45.38 ? 383 TRP C NE1 1 ATOM 8337 C CE2 . TRP C 1 316 ? 28.417 60.163 -71.162 1.00 40.85 ? 383 TRP C CE2 1 ATOM 8338 C CE3 . TRP C 1 316 ? 26.596 61.291 -72.264 1.00 45.70 ? 383 TRP C CE3 1 ATOM 8339 C CZ2 . TRP C 1 316 ? 27.642 59.914 -70.024 1.00 46.24 ? 383 TRP C CZ2 1 ATOM 8340 C CZ3 . TRP C 1 316 ? 25.815 61.052 -71.131 1.00 42.61 ? 383 TRP C CZ3 1 ATOM 8341 C CH2 . TRP C 1 316 ? 26.353 60.374 -70.009 1.00 39.92 ? 383 TRP C CH2 1 ATOM 8342 N N . THR C 1 317 ? 31.263 63.760 -74.814 1.00 47.75 ? 384 THR C N 1 ATOM 8343 C CA . THR C 1 317 ? 32.625 64.017 -74.325 1.00 48.45 ? 384 THR C CA 1 ATOM 8344 C C . THR C 1 317 ? 33.168 65.425 -74.610 1.00 48.92 ? 384 THR C C 1 ATOM 8345 O O . THR C 1 317 ? 34.185 65.759 -74.082 1.00 56.83 ? 384 THR C O 1 ATOM 8346 C CB . THR C 1 317 ? 33.644 62.998 -74.870 1.00 52.16 ? 384 THR C CB 1 ATOM 8347 O OG1 . THR C 1 317 ? 33.569 62.958 -76.307 1.00 46.45 ? 384 THR C OG1 1 ATOM 8348 C CG2 . THR C 1 317 ? 33.376 61.621 -74.288 1.00 51.16 ? 384 THR C CG2 1 ATOM 8349 N N . THR C 1 318 ? 32.502 66.238 -75.415 1.00 44.73 ? 385 THR C N 1 ATOM 8350 C CA . THR C 1 318 ? 32.928 67.609 -75.682 1.00 46.89 ? 385 THR C CA 1 ATOM 8351 C C . THR C 1 318 ? 31.904 68.614 -75.152 1.00 47.79 ? 385 THR C C 1 ATOM 8352 O O . THR C 1 318 ? 30.762 68.658 -75.586 1.00 53.13 ? 385 THR C O 1 ATOM 8353 C CB . THR C 1 318 ? 33.074 67.864 -77.194 1.00 49.56 ? 385 THR C CB 1 ATOM 8354 O OG1 . THR C 1 318 ? 34.002 66.931 -77.714 1.00 54.65 ? 385 THR C OG1 1 ATOM 8355 C CG2 . THR C 1 318 ? 33.509 69.282 -77.503 1.00 47.47 ? 385 THR C CG2 1 ATOM 8356 N N . ALA C 1 319 ? 32.354 69.451 -74.246 1.00 50.81 ? 386 ALA C N 1 ATOM 8357 C CA . ALA C 1 319 ? 31.538 70.484 -73.672 1.00 49.73 ? 386 ALA C CA 1 ATOM 8358 C C . ALA C 1 319 ? 30.876 71.327 -74.764 1.00 52.00 ? 386 ALA C C 1 ATOM 8359 O O . ALA C 1 319 ? 31.523 71.816 -75.690 1.00 51.96 ? 386 ALA C O 1 ATOM 8360 C CB . ALA C 1 319 ? 32.387 71.382 -72.767 1.00 47.14 ? 386 ALA C CB 1 ATOM 8361 N N . ASN C 1 320 ? 29.574 71.460 -74.622 1.00 56.79 ? 387 ASN C N 1 ATOM 8362 C CA . ASN C 1 320 ? 28.809 72.410 -75.362 1.00 56.51 ? 387 ASN C CA 1 ATOM 8363 C C . ASN C 1 320 ? 28.540 72.065 -76.831 1.00 49.00 ? 387 ASN C C 1 ATOM 8364 O O . ASN C 1 320 ? 28.126 72.936 -77.582 1.00 50.33 ? 387 ASN C O 1 ATOM 8365 C CB . ASN C 1 320 ? 29.485 73.778 -75.223 1.00 57.47 ? 387 ASN C CB 1 ATOM 8366 C CG . ASN C 1 320 ? 28.508 74.866 -74.868 1.00 64.72 ? 387 ASN C CG 1 ATOM 8367 O OD1 . ASN C 1 320 ? 27.696 74.707 -73.985 1.00 71.80 ? 387 ASN C OD1 1 ATOM 8368 N ND2 . ASN C 1 320 ? 28.533 75.943 -75.602 1.00 76.26 ? 387 ASN C ND2 1 ATOM 8369 N N . SER C 1 321 ? 28.745 70.822 -77.243 1.00 47.87 ? 388 SER C N 1 ATOM 8370 C CA . SER C 1 321 ? 28.448 70.450 -78.616 1.00 50.01 ? 388 SER C CA 1 ATOM 8371 C C . SER C 1 321 ? 26.943 70.644 -78.894 1.00 45.84 ? 388 SER C C 1 ATOM 8372 O O . SER C 1 321 ? 26.094 70.383 -78.027 1.00 49.62 ? 388 SER C O 1 ATOM 8373 C CB . SER C 1 321 ? 28.952 69.043 -78.961 1.00 48.22 ? 388 SER C CB 1 ATOM 8374 O OG . SER C 1 321 ? 28.350 68.612 -80.189 1.00 59.06 ? 388 SER C OG 1 ATOM 8375 N N . LYS C 1 322 ? 26.646 71.189 -80.069 1.00 46.58 ? 389 LYS C N 1 ATOM 8376 C CA . LYS C 1 322 ? 25.265 71.533 -80.469 1.00 54.93 ? 389 LYS C CA 1 ATOM 8377 C C . LYS C 1 322 ? 24.947 70.947 -81.821 1.00 52.97 ? 389 LYS C C 1 ATOM 8378 O O . LYS C 1 322 ? 24.035 71.344 -82.494 1.00 47.97 ? 389 LYS C O 1 ATOM 8379 C CB . LYS C 1 322 ? 25.033 73.044 -80.474 1.00 57.17 ? 389 LYS C CB 1 ATOM 8380 C CG . LYS C 1 322 ? 24.959 73.594 -79.060 1.00 58.14 ? 389 LYS C CG 1 ATOM 8381 C CD . LYS C 1 322 ? 24.475 75.016 -79.039 1.00 52.19 ? 389 LYS C CD 1 ATOM 8382 C CE . LYS C 1 322 ? 24.629 75.530 -77.618 1.00 56.74 ? 389 LYS C CE 1 ATOM 8383 N NZ . LYS C 1 322 ? 23.821 76.759 -77.463 1.00 56.75 ? 389 LYS C NZ 1 ATOM 8384 N N . SER C 1 323 ? 25.666 69.904 -82.135 1.00 52.06 ? 390 SER C N 1 ATOM 8385 C CA . SER C 1 323 ? 25.648 69.314 -83.419 1.00 55.53 ? 390 SER C CA 1 ATOM 8386 C C . SER C 1 323 ? 24.628 68.124 -83.499 1.00 54.21 ? 390 SER C C 1 ATOM 8387 O O . SER C 1 323 ? 24.999 66.955 -83.369 1.00 49.21 ? 390 SER C O 1 ATOM 8388 C CB . SER C 1 323 ? 27.104 68.892 -83.689 1.00 56.90 ? 390 SER C CB 1 ATOM 8389 O OG . SER C 1 323 ? 27.209 68.399 -84.959 1.00 66.26 ? 390 SER C OG 1 ATOM 8390 N N . GLN C 1 324 ? 23.347 68.427 -83.713 1.00 48.25 ? 391 GLN C N 1 ATOM 8391 C CA . GLN C 1 324 ? 22.384 67.365 -83.719 1.00 49.09 ? 391 GLN C CA 1 ATOM 8392 C C . GLN C 1 324 ? 22.135 66.720 -85.057 1.00 44.09 ? 391 GLN C C 1 ATOM 8393 O O . GLN C 1 324 ? 22.265 67.305 -86.083 1.00 44.22 ? 391 GLN C O 1 ATOM 8394 C CB . GLN C 1 324 ? 21.041 67.714 -83.044 1.00 49.29 ? 391 GLN C CB 1 ATOM 8395 C CG . GLN C 1 324 ? 20.126 68.661 -83.754 1.00 49.61 ? 391 GLN C CG 1 ATOM 8396 C CD . GLN C 1 324 ? 18.637 68.505 -83.375 1.00 49.47 ? 391 GLN C CD 1 ATOM 8397 O OE1 . GLN C 1 324 ? 17.879 68.046 -84.149 1.00 54.50 ? 391 GLN C OE1 1 ATOM 8398 N NE2 . GLN C 1 324 ? 18.259 68.885 -82.196 1.00 50.16 ? 391 GLN C NE2 1 ATOM 8399 N N . VAL C 1 325 ? 21.751 65.471 -84.960 1.00 43.44 ? 392 VAL C N 1 ATOM 8400 C CA . VAL C 1 325 ? 21.401 64.668 -86.059 1.00 45.49 ? 392 VAL C CA 1 ATOM 8401 C C . VAL C 1 325 ? 20.348 63.620 -85.588 1.00 41.32 ? 392 VAL C C 1 ATOM 8402 O O . VAL C 1 325 ? 20.202 63.334 -84.422 1.00 41.69 ? 392 VAL C O 1 ATOM 8403 C CB . VAL C 1 325 ? 22.679 64.046 -86.701 1.00 49.86 ? 392 VAL C CB 1 ATOM 8404 C CG1 . VAL C 1 325 ? 23.344 63.055 -85.787 1.00 52.54 ? 392 VAL C CG1 1 ATOM 8405 C CG2 . VAL C 1 325 ? 22.323 63.335 -87.989 1.00 58.29 ? 392 VAL C CG2 1 ATOM 8406 N N . ASN C 1 326 ? 19.564 63.115 -86.526 1.00 44.28 ? 393 ASN C N 1 ATOM 8407 C CA . ASN C 1 326 ? 18.586 62.061 -86.315 1.00 37.20 ? 393 ASN C CA 1 ATOM 8408 C C . ASN C 1 326 ? 17.462 62.448 -85.388 1.00 38.34 ? 393 ASN C C 1 ATOM 8409 O O . ASN C 1 326 ? 17.037 61.661 -84.566 1.00 36.12 ? 393 ASN C O 1 ATOM 8410 C CB . ASN C 1 326 ? 19.258 60.800 -85.793 1.00 46.17 ? 393 ASN C CB 1 ATOM 8411 C CG . ASN C 1 326 ? 20.206 60.154 -86.809 1.00 49.68 ? 393 ASN C CG 1 ATOM 8412 O OD1 . ASN C 1 326 ? 21.133 59.464 -86.422 1.00 50.96 ? 393 ASN C OD1 1 ATOM 8413 N ND2 . ASN C 1 326 ? 19.959 60.350 -88.083 1.00 51.47 ? 393 ASN C ND2 1 ATOM 8414 N N . ARG C 1 327 ? 16.985 63.656 -85.541 1.00 35.26 ? 394 ARG C N 1 ATOM 8415 C CA . ARG C 1 327 ? 15.869 64.101 -84.787 1.00 37.92 ? 394 ARG C CA 1 ATOM 8416 C C . ARG C 1 327 ? 14.591 63.399 -85.193 1.00 41.67 ? 394 ARG C C 1 ATOM 8417 O O . ARG C 1 327 ? 14.366 63.131 -86.383 1.00 46.33 ? 394 ARG C O 1 ATOM 8418 C CB . ARG C 1 327 ? 15.650 65.581 -84.977 1.00 38.99 ? 394 ARG C CB 1 ATOM 8419 C CG . ARG C 1 327 ? 14.406 66.097 -84.240 1.00 45.77 ? 394 ARG C CG 1 ATOM 8420 C CD . ARG C 1 327 ? 14.289 67.585 -84.398 1.00 47.09 ? 394 ARG C CD 1 ATOM 8421 N NE . ARG C 1 327 ? 13.247 68.133 -83.574 1.00 56.32 ? 394 ARG C NE 1 ATOM 8422 C CZ . ARG C 1 327 ? 12.120 68.702 -83.976 1.00 58.50 ? 394 ARG C CZ 1 ATOM 8423 N NH1 . ARG C 1 327 ? 11.810 68.806 -85.253 1.00 63.13 ? 394 ARG C NH1 1 ATOM 8424 N NH2 . ARG C 1 327 ? 11.292 69.185 -83.059 1.00 57.25 ? 394 ARG C NH2 1 ATOM 8425 N N . GLN C 1 328 ? 13.783 63.082 -84.172 1.00 40.53 ? 395 GLN C N 1 ATOM 8426 C CA . GLN C 1 328 ? 12.450 62.559 -84.353 1.00 38.80 ? 395 GLN C CA 1 ATOM 8427 C C . GLN C 1 328 ? 11.501 63.208 -83.390 1.00 43.26 ? 395 GLN C C 1 ATOM 8428 O O . GLN C 1 328 ? 11.808 63.360 -82.205 1.00 42.98 ? 395 GLN C O 1 ATOM 8429 C CB . GLN C 1 328 ? 12.382 61.051 -84.099 1.00 43.99 ? 395 GLN C CB 1 ATOM 8430 C CG . GLN C 1 328 ? 13.265 60.199 -84.998 1.00 40.27 ? 395 GLN C CG 1 ATOM 8431 C CD . GLN C 1 328 ? 13.312 58.733 -84.579 1.00 42.94 ? 395 GLN C CD 1 ATOM 8432 O OE1 . GLN C 1 328 ? 14.271 58.259 -83.960 1.00 38.65 ? 395 GLN C OE1 1 ATOM 8433 N NE2 . GLN C 1 328 ? 12.250 58.006 -84.907 1.00 43.50 ? 395 GLN C NE2 1 ATOM 8434 N N . ILE C 1 329 ? 10.344 63.587 -83.915 1.00 39.31 ? 396 ILE C N 1 ATOM 8435 C CA . ILE C 1 329 ? 9.211 63.936 -83.124 1.00 39.19 ? 396 ILE C CA 1 ATOM 8436 C C . ILE C 1 329 ? 8.470 62.690 -82.637 1.00 39.39 ? 396 ILE C C 1 ATOM 8437 O O . ILE C 1 329 ? 8.070 61.838 -83.392 1.00 38.55 ? 396 ILE C O 1 ATOM 8438 C CB . ILE C 1 329 ? 8.250 64.822 -83.921 1.00 41.61 ? 396 ILE C CB 1 ATOM 8439 C CG1 . ILE C 1 329 ? 8.969 66.148 -84.179 1.00 42.78 ? 396 ILE C CG1 1 ATOM 8440 C CG2 . ILE C 1 329 ? 6.928 65.024 -83.133 1.00 38.58 ? 396 ILE C CG2 1 ATOM 8441 C CD1 . ILE C 1 329 ? 8.159 67.146 -84.937 1.00 46.46 ? 396 ILE C CD1 1 ATOM 8442 N N . ILE C 1 330 ? 8.278 62.630 -81.336 1.00 42.58 ? 397 ILE C N 1 ATOM 8443 C CA . ILE C 1 330 ? 7.494 61.585 -80.721 1.00 39.00 ? 397 ILE C CA 1 ATOM 8444 C C . ILE C 1 330 ? 6.089 62.033 -80.416 1.00 37.45 ? 397 ILE C C 1 ATOM 8445 O O . ILE C 1 330 ? 5.111 61.297 -80.669 1.00 42.30 ? 397 ILE C O 1 ATOM 8446 C CB . ILE C 1 330 ? 8.163 61.106 -79.418 1.00 41.46 ? 397 ILE C CB 1 ATOM 8447 C CG1 . ILE C 1 330 ? 9.660 60.783 -79.677 1.00 41.94 ? 397 ILE C CG1 1 ATOM 8448 C CG2 . ILE C 1 330 ? 7.456 59.865 -78.861 1.00 42.79 ? 397 ILE C CG2 1 ATOM 8449 C CD1 . ILE C 1 330 ? 9.910 59.652 -80.652 1.00 39.09 ? 397 ILE C CD1 1 ATOM 8450 N N . VAL C 1 331 ? 5.997 63.217 -79.810 1.00 36.40 ? 398 VAL C N 1 ATOM 8451 C CA . VAL C 1 331 ? 4.728 63.831 -79.500 1.00 36.22 ? 398 VAL C CA 1 ATOM 8452 C C . VAL C 1 331 ? 4.833 65.274 -79.992 1.00 37.29 ? 398 VAL C C 1 ATOM 8453 O O . VAL C 1 331 ? 5.683 65.986 -79.535 1.00 35.52 ? 398 VAL C O 1 ATOM 8454 C CB . VAL C 1 331 ? 4.436 63.841 -77.976 1.00 36.13 ? 398 VAL C CB 1 ATOM 8455 C CG1 . VAL C 1 331 ? 3.136 64.553 -77.655 1.00 35.55 ? 398 VAL C CG1 1 ATOM 8456 C CG2 . VAL C 1 331 ? 4.408 62.442 -77.399 1.00 35.30 ? 398 VAL C CG2 1 ATOM 8457 N N . ASP C 1 332 ? 3.910 65.711 -80.847 1.00 35.95 ? 399 ASP C N 1 ATOM 8458 C CA . ASP C 1 332 ? 3.944 67.073 -81.353 1.00 40.57 ? 399 ASP C CA 1 ATOM 8459 C C . ASP C 1 332 ? 3.663 68.089 -80.236 1.00 43.21 ? 399 ASP C C 1 ATOM 8460 O O . ASP C 1 332 ? 3.057 67.770 -79.167 1.00 42.15 ? 399 ASP C O 1 ATOM 8461 C CB . ASP C 1 332 ? 2.936 67.263 -82.510 1.00 43.10 ? 399 ASP C CB 1 ATOM 8462 C CG . ASP C 1 332 ? 1.482 67.052 -82.068 1.00 55.20 ? 399 ASP C CG 1 ATOM 8463 O OD1 . ASP C 1 332 ? 0.830 66.005 -82.419 1.00 69.20 ? 399 ASP C OD1 1 ATOM 8464 O OD2 . ASP C 1 332 ? 0.979 67.920 -81.336 1.00 58.97 ? 399 ASP C OD2 1 ATOM 8465 N N . ASN C 1 333 ? 4.066 69.329 -80.514 1.00 42.59 ? 400 ASN C N 1 ATOM 8466 C CA . ASN C 1 333 ? 4.003 70.416 -79.551 1.00 44.03 ? 400 ASN C CA 1 ATOM 8467 C C . ASN C 1 333 ? 2.621 71.038 -79.322 1.00 46.55 ? 400 ASN C C 1 ATOM 8468 O O . ASN C 1 333 ? 2.510 71.951 -78.561 1.00 47.71 ? 400 ASN C O 1 ATOM 8469 C CB . ASN C 1 333 ? 5.000 71.526 -79.873 1.00 44.74 ? 400 ASN C CB 1 ATOM 8470 C CG . ASN C 1 333 ? 5.366 72.360 -78.624 1.00 52.28 ? 400 ASN C CG 1 ATOM 8471 O OD1 . ASN C 1 333 ? 5.387 71.877 -77.471 1.00 57.86 ? 400 ASN C OD1 1 ATOM 8472 N ND2 . ASN C 1 333 ? 5.632 73.613 -78.848 1.00 60.65 ? 400 ASN C ND2 1 ATOM 8473 N N . ASN C 1 334 ? 1.566 70.501 -79.909 1.00 47.07 ? 401 ASN C N 1 ATOM 8474 C CA . ASN C 1 334 ? 0.200 70.785 -79.442 1.00 48.08 ? 401 ASN C CA 1 ATOM 8475 C C . ASN C 1 334 ? -0.351 69.826 -78.368 1.00 43.66 ? 401 ASN C C 1 ATOM 8476 O O . ASN C 1 334 ? -1.508 69.870 -78.098 1.00 45.93 ? 401 ASN C O 1 ATOM 8477 C CB . ASN C 1 334 ? -0.771 70.734 -80.633 1.00 52.69 ? 401 ASN C CB 1 ATOM 8478 C CG . ASN C 1 334 ? -0.506 71.823 -81.641 1.00 60.23 ? 401 ASN C CG 1 ATOM 8479 O OD1 . ASN C 1 334 ? -0.124 72.930 -81.291 1.00 68.07 ? 401 ASN C OD1 1 ATOM 8480 N ND2 . ASN C 1 334 ? -0.657 71.493 -82.903 1.00 68.58 ? 401 ASN C ND2 1 ATOM 8481 N N . ASN C 1 335 ? 0.466 68.929 -77.829 1.00 43.80 ? 402 ASN C N 1 ATOM 8482 C CA . ASN C 1 335 ? 0.019 67.925 -76.888 1.00 39.17 ? 402 ASN C CA 1 ATOM 8483 C C . ASN C 1 335 ? 0.929 67.863 -75.676 1.00 40.09 ? 402 ASN C C 1 ATOM 8484 O O . ASN C 1 335 ? 2.115 68.140 -75.779 1.00 39.93 ? 402 ASN C O 1 ATOM 8485 C CB . ASN C 1 335 ? -0.024 66.571 -77.543 1.00 38.81 ? 402 ASN C CB 1 ATOM 8486 C CG . ASN C 1 335 ? -1.186 66.446 -78.497 1.00 44.01 ? 402 ASN C CG 1 ATOM 8487 O OD1 . ASN C 1 335 ? -2.299 66.239 -78.095 1.00 50.16 ? 402 ASN C OD1 1 ATOM 8488 N ND2 . ASN C 1 335 ? -0.932 66.618 -79.765 1.00 43.94 ? 402 ASN C ND2 1 ATOM 8489 N N . TRP C 1 336 ? 0.339 67.475 -74.548 1.00 36.76 ? 403 TRP C N 1 ATOM 8490 C CA . TRP C 1 336 ? 0.996 67.413 -73.276 1.00 36.42 ? 403 TRP C CA 1 ATOM 8491 C C . TRP C 1 336 ? 1.808 66.172 -73.197 1.00 38.71 ? 403 TRP C C 1 ATOM 8492 O O . TRP C 1 336 ? 1.428 65.105 -73.692 1.00 40.55 ? 403 TRP C O 1 ATOM 8493 C CB . TRP C 1 336 ? -0.009 67.418 -72.116 1.00 39.77 ? 403 TRP C CB 1 ATOM 8494 C CG . TRP C 1 336 ? -0.834 68.639 -72.157 1.00 43.44 ? 403 TRP C CG 1 ATOM 8495 C CD1 . TRP C 1 336 ? -2.168 68.716 -72.468 1.00 41.09 ? 403 TRP C CD1 1 ATOM 8496 C CD2 . TRP C 1 336 ? -0.392 69.980 -71.942 1.00 42.20 ? 403 TRP C CD2 1 ATOM 8497 N NE1 . TRP C 1 336 ? -2.584 70.026 -72.445 1.00 42.34 ? 403 TRP C NE1 1 ATOM 8498 C CE2 . TRP C 1 336 ? -1.520 70.827 -72.139 1.00 42.47 ? 403 TRP C CE2 1 ATOM 8499 C CE3 . TRP C 1 336 ? 0.833 70.550 -71.587 1.00 46.60 ? 403 TRP C CE3 1 ATOM 8500 C CZ2 . TRP C 1 336 ? -1.443 72.209 -72.039 1.00 43.55 ? 403 TRP C CZ2 1 ATOM 8501 C CZ3 . TRP C 1 336 ? 0.917 71.968 -71.467 1.00 49.76 ? 403 TRP C CZ3 1 ATOM 8502 C CH2 . TRP C 1 336 ? -0.215 72.766 -71.680 1.00 45.12 ? 403 TRP C CH2 1 ATOM 8503 N N . SER C 1 337 ? 2.986 66.349 -72.620 1.00 39.48 ? 404 SER C N 1 ATOM 8504 C CA . SER C 1 337 ? 3.878 65.244 -72.302 1.00 40.31 ? 404 SER C CA 1 ATOM 8505 C C . SER C 1 337 ? 3.971 65.145 -70.754 1.00 42.28 ? 404 SER C C 1 ATOM 8506 O O . SER C 1 337 ? 2.935 65.167 -70.064 1.00 45.16 ? 404 SER C O 1 ATOM 8507 C CB . SER C 1 337 ? 5.243 65.344 -73.034 1.00 36.85 ? 404 SER C CB 1 ATOM 8508 O OG . SER C 1 337 ? 5.947 66.516 -72.729 1.00 38.87 ? 404 SER C OG 1 ATOM 8509 N N . GLY C 1 338 ? 5.165 64.993 -70.223 1.00 40.36 ? 405 GLY C N 1 ATOM 8510 C CA . GLY C 1 338 ? 5.322 64.663 -68.818 1.00 40.12 ? 405 GLY C CA 1 ATOM 8511 C C . GLY C 1 338 ? 6.675 64.060 -68.561 1.00 39.94 ? 405 GLY C C 1 ATOM 8512 O O . GLY C 1 338 ? 7.653 64.295 -69.321 1.00 41.97 ? 405 GLY C O 1 ATOM 8513 N N . TYR C 1 339 ? 6.755 63.224 -67.529 1.00 36.40 ? 406 TYR C N 1 ATOM 8514 C CA . TYR C 1 339 ? 8.029 62.490 -67.234 1.00 42.66 ? 406 TYR C CA 1 ATOM 8515 C C . TYR C 1 339 ? 8.421 61.551 -68.403 1.00 37.21 ? 406 TYR C C 1 ATOM 8516 O O . TYR C 1 339 ? 7.574 61.090 -69.143 1.00 43.01 ? 406 TYR C O 1 ATOM 8517 C CB . TYR C 1 339 ? 7.882 61.660 -65.962 1.00 42.75 ? 406 TYR C CB 1 ATOM 8518 C CG . TYR C 1 339 ? 7.944 62.405 -64.662 1.00 42.44 ? 406 TYR C CG 1 ATOM 8519 C CD1 . TYR C 1 339 ? 7.895 63.796 -64.593 1.00 41.97 ? 406 TYR C CD1 1 ATOM 8520 C CD2 . TYR C 1 339 ? 8.066 61.698 -63.478 1.00 42.66 ? 406 TYR C CD2 1 ATOM 8521 C CE1 . TYR C 1 339 ? 8.009 64.465 -63.365 1.00 38.60 ? 406 TYR C CE1 1 ATOM 8522 C CE2 . TYR C 1 339 ? 8.199 62.345 -62.256 1.00 38.53 ? 406 TYR C CE2 1 ATOM 8523 C CZ . TYR C 1 339 ? 8.176 63.712 -62.211 1.00 40.67 ? 406 TYR C CZ 1 ATOM 8524 O OH . TYR C 1 339 ? 8.277 64.307 -60.991 1.00 37.61 ? 406 TYR C OH 1 ATOM 8525 N N . SER C 1 340 ? 9.697 61.271 -68.533 1.00 35.42 ? 407 SER C N 1 ATOM 8526 C CA . SER C 1 340 ? 10.141 60.220 -69.444 1.00 35.10 ? 407 SER C CA 1 ATOM 8527 C C . SER C 1 340 ? 11.266 59.514 -68.780 1.00 35.24 ? 407 SER C C 1 ATOM 8528 O O . SER C 1 340 ? 11.877 60.048 -67.847 1.00 33.45 ? 407 SER C O 1 ATOM 8529 C CB . SER C 1 340 ? 10.592 60.752 -70.793 1.00 33.43 ? 407 SER C CB 1 ATOM 8530 O OG . SER C 1 340 ? 11.538 61.809 -70.597 1.00 36.65 ? 407 SER C OG 1 ATOM 8531 N N . GLY C 1 341 ? 11.527 58.298 -69.252 1.00 36.11 ? 408 GLY C N 1 ATOM 8532 C CA . GLY C 1 341 ? 12.609 57.501 -68.665 1.00 38.42 ? 408 GLY C CA 1 ATOM 8533 C C . GLY C 1 341 ? 13.070 56.385 -69.595 1.00 38.78 ? 408 GLY C C 1 ATOM 8534 O O . GLY C 1 341 ? 12.422 56.055 -70.577 1.00 40.92 ? 408 GLY C O 1 ATOM 8535 N N . ILE C 1 342 ? 14.190 55.797 -69.223 1.00 36.27 ? 409 ILE C N 1 ATOM 8536 C CA . ILE C 1 342 ? 14.839 54.791 -69.955 1.00 33.09 ? 409 ILE C CA 1 ATOM 8537 C C . ILE C 1 342 ? 14.561 53.418 -69.354 1.00 32.12 ? 409 ILE C C 1 ATOM 8538 O O . ILE C 1 342 ? 14.336 53.270 -68.151 1.00 36.07 ? 409 ILE C O 1 ATOM 8539 C CB . ILE C 1 342 ? 16.326 55.102 -69.998 1.00 36.77 ? 409 ILE C CB 1 ATOM 8540 C CG1 . ILE C 1 342 ? 17.020 54.323 -71.098 1.00 41.78 ? 409 ILE C CG1 1 ATOM 8541 C CG2 . ILE C 1 342 ? 17.058 54.796 -68.664 1.00 44.73 ? 409 ILE C CG2 1 ATOM 8542 C CD1 . ILE C 1 342 ? 18.457 54.778 -71.289 1.00 40.76 ? 409 ILE C CD1 1 ATOM 8543 N N . PHE C 1 343 ? 14.533 52.405 -70.210 1.00 34.76 ? 410 PHE C N 1 ATOM 8544 C CA . PHE C 1 343 ? 14.704 51.023 -69.772 1.00 36.89 ? 410 PHE C CA 1 ATOM 8545 C C . PHE C 1 343 ? 15.573 50.269 -70.800 1.00 34.69 ? 410 PHE C C 1 ATOM 8546 O O . PHE C 1 343 ? 15.753 50.711 -71.963 1.00 34.50 ? 410 PHE C O 1 ATOM 8547 C CB . PHE C 1 343 ? 13.367 50.313 -69.498 1.00 34.27 ? 410 PHE C CB 1 ATOM 8548 C CG . PHE C 1 343 ? 12.490 50.148 -70.715 1.00 37.67 ? 410 PHE C CG 1 ATOM 8549 C CD1 . PHE C 1 343 ? 12.353 48.908 -71.344 1.00 37.28 ? 410 PHE C CD1 1 ATOM 8550 C CD2 . PHE C 1 343 ? 11.815 51.211 -71.252 1.00 39.24 ? 410 PHE C CD2 1 ATOM 8551 C CE1 . PHE C 1 343 ? 11.536 48.726 -72.447 1.00 36.74 ? 410 PHE C CE1 1 ATOM 8552 C CE2 . PHE C 1 343 ? 10.961 51.041 -72.361 1.00 39.36 ? 410 PHE C CE2 1 ATOM 8553 C CZ . PHE C 1 343 ? 10.861 49.803 -72.990 1.00 37.45 ? 410 PHE C CZ 1 ATOM 8554 N N . SER C 1 344 ? 16.096 49.131 -70.355 1.00 34.75 ? 411 SER C N 1 ATOM 8555 C CA . SER C 1 344 ? 17.051 48.366 -71.157 1.00 36.24 ? 411 SER C CA 1 ATOM 8556 C C . SER C 1 344 ? 16.558 46.944 -71.393 1.00 38.29 ? 411 SER C C 1 ATOM 8557 O O . SER C 1 344 ? 15.903 46.367 -70.546 1.00 37.58 ? 411 SER C O 1 ATOM 8558 C CB . SER C 1 344 ? 18.431 48.352 -70.491 1.00 35.08 ? 411 SER C CB 1 ATOM 8559 O OG . SER C 1 344 ? 18.938 49.668 -70.350 1.00 36.70 ? 411 SER C OG 1 ATOM 8560 N N . VAL C 1 345 ? 16.892 46.405 -72.566 1.00 39.44 ? 412 VAL C N 1 ATOM 8561 C CA . VAL C 1 345 ? 16.411 45.116 -73.019 1.00 42.58 ? 412 VAL C CA 1 ATOM 8562 C C . VAL C 1 345 ? 17.545 44.288 -73.559 1.00 43.18 ? 412 VAL C C 1 ATOM 8563 O O . VAL C 1 345 ? 18.278 44.735 -74.431 1.00 37.78 ? 412 VAL C O 1 ATOM 8564 C CB . VAL C 1 345 ? 15.322 45.273 -74.124 1.00 47.51 ? 412 VAL C CB 1 ATOM 8565 C CG1 . VAL C 1 345 ? 14.856 43.931 -74.657 1.00 51.90 ? 412 VAL C CG1 1 ATOM 8566 C CG2 . VAL C 1 345 ? 14.119 45.966 -73.537 1.00 50.23 ? 412 VAL C CG2 1 ATOM 8567 N N . GLU C 1 346 ? 17.659 43.065 -73.047 1.00 45.65 ? 413 GLU C N 1 ATOM 8568 C CA . GLU C 1 346 ? 18.747 42.159 -73.399 1.00 48.90 ? 413 GLU C CA 1 ATOM 8569 C C . GLU C 1 346 ? 18.356 41.347 -74.622 1.00 48.54 ? 413 GLU C C 1 ATOM 8570 O O . GLU C 1 346 ? 17.432 40.565 -74.567 1.00 44.84 ? 413 GLU C O 1 ATOM 8571 C CB . GLU C 1 346 ? 19.066 41.232 -72.254 1.00 49.38 ? 413 GLU C CB 1 ATOM 8572 C CG . GLU C 1 346 ? 20.346 40.474 -72.477 1.00 66.78 ? 413 GLU C CG 1 ATOM 8573 C CD . GLU C 1 346 ? 21.045 39.956 -71.197 1.00 75.73 ? 413 GLU C CD 1 ATOM 8574 O OE1 . GLU C 1 346 ? 20.610 40.226 -70.050 1.00 81.66 ? 413 GLU C OE1 1 ATOM 8575 O OE2 . GLU C 1 346 ? 22.091 39.284 -71.349 1.00 82.00 ? 413 GLU C OE2 1 ATOM 8576 N N . GLY C 1 347 ? 19.046 41.561 -75.728 1.00 43.16 ? 414 GLY C N 1 ATOM 8577 C CA . GLY C 1 347 ? 18.864 40.690 -76.890 1.00 43.05 ? 414 GLY C CA 1 ATOM 8578 C C . GLY C 1 347 ? 19.850 39.528 -76.814 1.00 48.39 ? 414 GLY C C 1 ATOM 8579 O O . GLY C 1 347 ? 20.552 39.396 -75.811 1.00 49.52 ? 414 GLY C O 1 ATOM 8580 N N . LYS C 1 348 ? 19.966 38.744 -77.882 1.00 53.67 ? 415 LYS C N 1 ATOM 8581 C CA . LYS C 1 348 ? 20.909 37.622 -77.859 1.00 60.13 ? 415 LYS C CA 1 ATOM 8582 C C . LYS C 1 348 ? 22.365 38.111 -77.839 1.00 51.19 ? 415 LYS C C 1 ATOM 8583 O O . LYS C 1 348 ? 23.202 37.512 -77.184 1.00 56.19 ? 415 LYS C O 1 ATOM 8584 C CB . LYS C 1 348 ? 20.673 36.533 -78.947 1.00 73.25 ? 415 LYS C CB 1 ATOM 8585 C CG . LYS C 1 348 ? 20.263 37.028 -80.317 1.00 94.81 ? 415 LYS C CG 1 ATOM 8586 C CD . LYS C 1 348 ? 20.034 35.864 -81.289 1.00 103.98 ? 415 LYS C CD 1 ATOM 8587 C CE . LYS C 1 348 ? 19.433 36.321 -82.625 1.00 108.85 ? 415 LYS C CE 1 ATOM 8588 N NZ . LYS C 1 348 ? 20.430 36.461 -83.724 1.00 108.01 ? 415 LYS C NZ 1 ATOM 8589 N N A SER C 1 349 ? 22.662 39.197 -78.538 0.63 44.77 ? 416 SER C N 1 ATOM 8590 N N B SER C 1 349 ? 22.672 39.192 -78.543 0.37 47.31 ? 416 SER C N 1 ATOM 8591 C CA A SER C 1 349 ? 24.057 39.684 -78.634 0.63 48.42 ? 416 SER C CA 1 ATOM 8592 C CA B SER C 1 349 ? 24.067 39.669 -78.616 0.37 48.48 ? 416 SER C CA 1 ATOM 8593 C C A SER C 1 349 ? 24.300 41.107 -78.096 0.63 49.63 ? 416 SER C C 1 ATOM 8594 C C B SER C 1 349 ? 24.301 41.103 -78.096 0.37 49.14 ? 416 SER C C 1 ATOM 8595 O O A SER C 1 349 ? 25.443 41.528 -77.964 0.63 51.29 ? 416 SER C O 1 ATOM 8596 O O B SER C 1 349 ? 25.444 41.512 -77.935 0.37 49.59 ? 416 SER C O 1 ATOM 8597 C CB A SER C 1 349 ? 24.540 39.629 -80.101 0.63 51.48 ? 416 SER C CB 1 ATOM 8598 C CB B SER C 1 349 ? 24.585 39.556 -80.055 0.37 49.86 ? 416 SER C CB 1 ATOM 8599 O OG A SER C 1 349 ? 23.602 40.253 -80.976 0.63 48.20 ? 416 SER C OG 1 ATOM 8600 O OG B SER C 1 349 ? 24.386 38.252 -80.579 0.37 47.47 ? 416 SER C OG 1 ATOM 8601 N N . CYS C 1 350 ? 23.243 41.877 -77.863 1.00 48.40 ? 417 CYS C N 1 ATOM 8602 C CA . CYS C 1 350 ? 23.415 43.251 -77.377 1.00 48.99 ? 417 CYS C CA 1 ATOM 8603 C C . CYS C 1 350 ? 22.257 43.753 -76.540 1.00 41.68 ? 417 CYS C C 1 ATOM 8604 O O . CYS C 1 350 ? 21.214 43.154 -76.527 1.00 43.87 ? 417 CYS C O 1 ATOM 8605 C CB . CYS C 1 350 ? 23.723 44.221 -78.534 1.00 46.62 ? 417 CYS C CB 1 ATOM 8606 S SG . CYS C 1 350 ? 22.438 44.414 -79.766 1.00 51.64 ? 417 CYS C SG 1 ATOM 8607 N N . ILE C 1 351 ? 22.511 44.834 -75.836 1.00 40.26 ? 418 ILE C N 1 ATOM 8608 C CA . ILE C 1 351 ? 21.572 45.471 -74.929 1.00 38.94 ? 418 ILE C CA 1 ATOM 8609 C C . ILE C 1 351 ? 20.991 46.683 -75.666 1.00 37.96 ? 418 ILE C C 1 ATOM 8610 O O . ILE C 1 351 ? 21.713 47.634 -76.004 1.00 34.63 ? 418 ILE C O 1 ATOM 8611 C CB . ILE C 1 351 ? 22.266 46.005 -73.657 1.00 41.71 ? 418 ILE C CB 1 ATOM 8612 C CG1 . ILE C 1 351 ? 23.077 44.934 -72.898 1.00 44.89 ? 418 ILE C CG1 1 ATOM 8613 C CG2 . ILE C 1 351 ? 21.259 46.628 -72.699 1.00 39.63 ? 418 ILE C CG2 1 ATOM 8614 C CD1 . ILE C 1 351 ? 22.323 43.684 -72.599 1.00 47.15 ? 418 ILE C CD1 1 ATOM 8615 N N . ASN C 1 352 ? 19.688 46.663 -75.880 1.00 38.45 ? 419 ASN C N 1 ATOM 8616 C CA . ASN C 1 352 ? 18.970 47.787 -76.515 1.00 36.18 ? 419 ASN C CA 1 ATOM 8617 C C . ASN C 1 352 ? 18.415 48.754 -75.443 1.00 38.27 ? 419 ASN C C 1 ATOM 8618 O O . ASN C 1 352 ? 18.253 48.409 -74.247 1.00 41.61 ? 419 ASN C O 1 ATOM 8619 C CB . ASN C 1 352 ? 17.869 47.264 -77.406 1.00 35.38 ? 419 ASN C CB 1 ATOM 8620 C CG . ASN C 1 352 ? 17.399 48.264 -78.473 1.00 36.33 ? 419 ASN C CG 1 ATOM 8621 O OD1 . ASN C 1 352 ? 18.035 49.278 -78.785 1.00 37.36 ? 419 ASN C OD1 1 ATOM 8622 N ND2 . ASN C 1 352 ? 16.239 47.987 -79.020 1.00 35.15 ? 419 ASN C ND2 1 ATOM 8623 N N . ARG C 1 353 ? 18.309 50.011 -75.830 1.00 37.78 ? 420 ARG C N 1 ATOM 8624 C CA . ARG C 1 353 ? 17.810 51.068 -74.963 1.00 35.44 ? 420 ARG C CA 1 ATOM 8625 C C . ARG C 1 353 ? 16.497 51.503 -75.541 1.00 34.53 ? 420 ARG C C 1 ATOM 8626 O O . ARG C 1 353 ? 16.360 51.722 -76.760 1.00 34.06 ? 420 ARG C O 1 ATOM 8627 C CB . ARG C 1 353 ? 18.742 52.280 -74.958 1.00 36.83 ? 420 ARG C CB 1 ATOM 8628 C CG . ARG C 1 353 ? 20.186 52.030 -74.595 1.00 37.88 ? 420 ARG C CG 1 ATOM 8629 C CD . ARG C 1 353 ? 20.416 51.360 -73.223 1.00 39.47 ? 420 ARG C CD 1 ATOM 8630 N NE . ARG C 1 353 ? 21.876 51.210 -72.979 1.00 38.97 ? 420 ARG C NE 1 ATOM 8631 C CZ . ARG C 1 353 ? 22.452 50.461 -72.037 1.00 40.33 ? 420 ARG C CZ 1 ATOM 8632 N NH1 . ARG C 1 353 ? 21.736 49.772 -71.139 1.00 37.17 ? 420 ARG C NH1 1 ATOM 8633 N NH2 . ARG C 1 353 ? 23.758 50.384 -72.012 1.00 34.82 ? 420 ARG C NH2 1 ATOM 8634 N N . CYS C 1 354 ? 15.542 51.650 -74.647 1.00 38.16 ? 421 CYS C N 1 ATOM 8635 C CA . CYS C 1 354 ? 14.169 52.058 -74.983 1.00 36.80 ? 421 CYS C CA 1 ATOM 8636 C C . CYS C 1 354 ? 13.724 53.142 -73.978 1.00 39.31 ? 421 CYS C C 1 ATOM 8637 O O . CYS C 1 354 ? 14.407 53.403 -72.953 1.00 37.13 ? 421 CYS C O 1 ATOM 8638 C CB . CYS C 1 354 ? 13.239 50.883 -74.839 1.00 40.82 ? 421 CYS C CB 1 ATOM 8639 S SG . CYS C 1 354 ? 13.574 49.422 -75.849 1.00 44.71 ? 421 CYS C SG 1 ATOM 8640 N N . PHE C 1 355 ? 12.651 53.858 -74.311 1.00 35.29 ? 422 PHE C N 1 ATOM 8641 C CA . PHE C 1 355 ? 12.175 54.881 -73.437 1.00 34.51 ? 422 PHE C CA 1 ATOM 8642 C C . PHE C 1 355 ? 10.666 54.979 -73.501 1.00 37.21 ? 422 PHE C C 1 ATOM 8643 O O . PHE C 1 355 ? 10.056 54.503 -74.456 1.00 33.19 ? 422 PHE C O 1 ATOM 8644 C CB . PHE C 1 355 ? 12.810 56.245 -73.696 1.00 37.09 ? 422 PHE C CB 1 ATOM 8645 C CG . PHE C 1 355 ? 12.424 56.857 -75.031 1.00 42.11 ? 422 PHE C CG 1 ATOM 8646 C CD1 . PHE C 1 355 ? 13.093 56.489 -76.198 1.00 41.90 ? 422 PHE C CD1 1 ATOM 8647 C CD2 . PHE C 1 355 ? 11.355 57.735 -75.128 1.00 39.11 ? 422 PHE C CD2 1 ATOM 8648 C CE1 . PHE C 1 355 ? 12.732 57.037 -77.432 1.00 46.55 ? 422 PHE C CE1 1 ATOM 8649 C CE2 . PHE C 1 355 ? 10.964 58.261 -76.376 1.00 40.46 ? 422 PHE C CE2 1 ATOM 8650 C CZ . PHE C 1 355 ? 11.652 57.917 -77.532 1.00 38.03 ? 422 PHE C CZ 1 ATOM 8651 N N . TYR C 1 356 ? 10.102 55.561 -72.417 1.00 36.02 ? 423 TYR C N 1 ATOM 8652 C CA . TYR C 1 356 ? 8.674 55.782 -72.291 1.00 35.48 ? 423 TYR C CA 1 ATOM 8653 C C . TYR C 1 356 ? 8.493 57.289 -72.123 1.00 36.82 ? 423 TYR C C 1 ATOM 8654 O O . TYR C 1 356 ? 9.367 57.972 -71.619 1.00 34.52 ? 423 TYR C O 1 ATOM 8655 C CB . TYR C 1 356 ? 8.047 54.981 -71.115 1.00 36.56 ? 423 TYR C CB 1 ATOM 8656 C CG . TYR C 1 356 ? 8.535 55.425 -69.767 1.00 37.25 ? 423 TYR C CG 1 ATOM 8657 C CD1 . TYR C 1 356 ? 9.680 54.841 -69.176 1.00 35.97 ? 423 TYR C CD1 1 ATOM 8658 C CD2 . TYR C 1 356 ? 7.957 56.489 -69.134 1.00 36.91 ? 423 TYR C CD2 1 ATOM 8659 C CE1 . TYR C 1 356 ? 10.209 55.328 -67.984 1.00 35.99 ? 423 TYR C CE1 1 ATOM 8660 C CE2 . TYR C 1 356 ? 8.483 56.965 -67.930 1.00 40.09 ? 423 TYR C CE2 1 ATOM 8661 C CZ . TYR C 1 356 ? 9.608 56.373 -67.368 1.00 40.77 ? 423 TYR C CZ 1 ATOM 8662 O OH . TYR C 1 356 ? 10.097 56.862 -66.185 1.00 48.30 ? 423 TYR C OH 1 ATOM 8663 N N . VAL C 1 357 ? 7.357 57.789 -72.569 1.00 35.23 ? 424 VAL C N 1 ATOM 8664 C CA . VAL C 1 357 ? 6.911 59.174 -72.273 1.00 34.00 ? 424 VAL C CA 1 ATOM 8665 C C . VAL C 1 357 ? 5.529 59.158 -71.599 1.00 35.24 ? 424 VAL C C 1 ATOM 8666 O O . VAL C 1 357 ? 4.595 58.509 -72.089 1.00 37.69 ? 424 VAL C O 1 ATOM 8667 C CB . VAL C 1 357 ? 6.769 59.996 -73.555 1.00 35.20 ? 424 VAL C CB 1 ATOM 8668 C CG1 . VAL C 1 357 ? 6.535 61.422 -73.201 1.00 35.54 ? 424 VAL C CG1 1 ATOM 8669 C CG2 . VAL C 1 357 ? 8.030 59.874 -74.421 1.00 38.91 ? 424 VAL C CG2 1 ATOM 8670 N N . GLU C 1 358 ? 5.443 59.791 -70.455 1.00 35.93 ? 425 GLU C N 1 ATOM 8671 C CA . GLU C 1 358 ? 4.198 59.986 -69.715 1.00 37.46 ? 425 GLU C CA 1 ATOM 8672 C C . GLU C 1 358 ? 3.471 61.118 -70.413 1.00 35.02 ? 425 GLU C C 1 ATOM 8673 O O . GLU C 1 358 ? 4.045 62.157 -70.634 1.00 40.42 ? 425 GLU C O 1 ATOM 8674 C CB . GLU C 1 358 ? 4.533 60.402 -68.261 1.00 38.79 ? 425 GLU C CB 1 ATOM 8675 C CG . GLU C 1 358 ? 3.335 60.537 -67.335 1.00 39.15 ? 425 GLU C CG 1 ATOM 8676 C CD . GLU C 1 358 ? 3.659 61.207 -65.997 1.00 38.43 ? 425 GLU C CD 1 ATOM 8677 O OE1 . GLU C 1 358 ? 4.599 62.030 -65.922 1.00 35.24 ? 425 GLU C OE1 1 ATOM 8678 O OE2 . GLU C 1 358 ? 2.925 60.950 -64.996 1.00 39.36 ? 425 GLU C OE2 1 ATOM 8679 N N . LEU C 1 359 ? 2.208 60.902 -70.737 1.00 36.93 ? 426 LEU C N 1 ATOM 8680 C CA . LEU C 1 359 ? 1.322 61.895 -71.381 1.00 33.43 ? 426 LEU C CA 1 ATOM 8681 C C . LEU C 1 359 ? 0.261 62.301 -70.364 1.00 36.48 ? 426 LEU C C 1 ATOM 8682 O O . LEU C 1 359 ? -0.732 61.581 -70.146 1.00 35.61 ? 426 LEU C O 1 ATOM 8683 C CB . LEU C 1 359 ? 0.660 61.277 -72.612 1.00 34.28 ? 426 LEU C CB 1 ATOM 8684 C CG . LEU C 1 359 ? 1.682 60.528 -73.511 1.00 37.24 ? 426 LEU C CG 1 ATOM 8685 C CD1 . LEU C 1 359 ? 1.008 59.746 -74.621 1.00 41.29 ? 426 LEU C CD1 1 ATOM 8686 C CD2 . LEU C 1 359 ? 2.716 61.473 -74.098 1.00 39.92 ? 426 LEU C CD2 1 ATOM 8687 N N . ILE C 1 360 ? 0.506 63.422 -69.691 1.00 35.17 ? 427 ILE C N 1 ATOM 8688 C CA . ILE C 1 360 ? -0.321 63.833 -68.562 1.00 38.86 ? 427 ILE C CA 1 ATOM 8689 C C . ILE C 1 360 ? -1.569 64.557 -69.079 1.00 35.95 ? 427 ILE C C 1 ATOM 8690 O O . ILE C 1 360 ? -1.427 65.442 -69.875 1.00 40.76 ? 427 ILE C O 1 ATOM 8691 C CB . ILE C 1 360 ? 0.446 64.782 -67.609 1.00 36.07 ? 427 ILE C CB 1 ATOM 8692 C CG1 . ILE C 1 360 ? 1.685 64.102 -67.038 1.00 38.60 ? 427 ILE C CG1 1 ATOM 8693 C CG2 . ILE C 1 360 ? -0.443 65.198 -66.472 1.00 38.34 ? 427 ILE C CG2 1 ATOM 8694 C CD1 . ILE C 1 360 ? 2.601 64.996 -66.241 1.00 35.32 ? 427 ILE C CD1 1 ATOM 8695 N N . ARG C 1 361 ? -2.743 64.167 -68.586 1.00 35.34 ? 428 ARG C N 1 ATOM 8696 C CA . ARG C 1 361 ? -3.982 64.865 -68.850 1.00 38.11 ? 428 ARG C CA 1 ATOM 8697 C C . ARG C 1 361 ? -4.666 65.309 -67.546 1.00 38.57 ? 428 ARG C C 1 ATOM 8698 O O . ARG C 1 361 ? -4.489 64.722 -66.465 1.00 39.18 ? 428 ARG C O 1 ATOM 8699 C CB . ARG C 1 361 ? -4.946 63.980 -69.657 1.00 37.98 ? 428 ARG C CB 1 ATOM 8700 C CG . ARG C 1 361 ? -4.391 63.400 -70.953 1.00 38.69 ? 428 ARG C CG 1 ATOM 8701 C CD . ARG C 1 361 ? -3.902 64.482 -71.961 1.00 38.57 ? 428 ARG C CD 1 ATOM 8702 N NE . ARG C 1 361 ? -4.945 65.403 -72.346 1.00 38.10 ? 428 ARG C NE 1 ATOM 8703 C CZ . ARG C 1 361 ? -5.800 65.278 -73.377 1.00 41.71 ? 428 ARG C CZ 1 ATOM 8704 N NH1 . ARG C 1 361 ? -5.776 64.268 -74.218 1.00 41.10 ? 428 ARG C NH1 1 ATOM 8705 N NH2 . ARG C 1 361 ? -6.728 66.199 -73.536 1.00 45.92 ? 428 ARG C NH2 1 ATOM 8706 N N . GLY C 1 362 ? -5.477 66.350 -67.670 1.00 39.24 ? 429 GLY C N 1 ATOM 8707 C CA . GLY C 1 362 ? -6.184 66.901 -66.531 1.00 42.46 ? 429 GLY C CA 1 ATOM 8708 C C . GLY C 1 362 ? -5.425 68.014 -65.838 1.00 40.78 ? 429 GLY C C 1 ATOM 8709 O O . GLY C 1 362 ? -4.744 68.783 -66.510 1.00 42.47 ? 429 GLY C O 1 ATOM 8710 N N . ARG C 1 363 ? -5.601 68.128 -64.517 1.00 37.03 ? 430 ARG C N 1 ATOM 8711 C CA . ARG C 1 363 ? -5.062 69.264 -63.779 1.00 44.04 ? 430 ARG C CA 1 ATOM 8712 C C . ARG C 1 363 ? -3.544 69.157 -63.700 1.00 41.01 ? 430 ARG C C 1 ATOM 8713 O O . ARG C 1 363 ? -3.018 68.053 -63.642 1.00 44.20 ? 430 ARG C O 1 ATOM 8714 C CB . ARG C 1 363 ? -5.588 69.335 -62.347 1.00 43.67 ? 430 ARG C CB 1 ATOM 8715 C CG . ARG C 1 363 ? -7.072 69.495 -62.155 1.00 45.57 ? 430 ARG C CG 1 ATOM 8716 C CD . ARG C 1 363 ? -7.449 70.873 -62.511 1.00 57.20 ? 430 ARG C CD 1 ATOM 8717 N NE . ARG C 1 363 ? -8.889 71.095 -62.475 1.00 65.24 ? 430 ARG C NE 1 ATOM 8718 C CZ . ARG C 1 363 ? -9.496 71.939 -61.655 1.00 62.66 ? 430 ARG C CZ 1 ATOM 8719 N NH1 . ARG C 1 363 ? -8.797 72.584 -60.761 1.00 63.33 ? 430 ARG C NH1 1 ATOM 8720 N NH2 . ARG C 1 363 ? -10.800 72.129 -61.731 1.00 65.76 ? 430 ARG C NH2 1 ATOM 8721 N N . PRO C 1 364 ? -2.833 70.297 -63.650 1.00 45.92 ? 431 PRO C N 1 ATOM 8722 C CA . PRO C 1 364 ? -3.325 71.679 -63.644 1.00 45.43 ? 431 PRO C CA 1 ATOM 8723 C C . PRO C 1 364 ? -3.622 72.308 -65.017 1.00 45.95 ? 431 PRO C C 1 ATOM 8724 O O . PRO C 1 364 ? -4.310 73.315 -65.067 1.00 46.31 ? 431 PRO C O 1 ATOM 8725 C CB . PRO C 1 364 ? -2.163 72.449 -62.987 1.00 44.83 ? 431 PRO C CB 1 ATOM 8726 C CG . PRO C 1 364 ? -0.932 71.726 -63.517 1.00 44.96 ? 431 PRO C CG 1 ATOM 8727 C CD . PRO C 1 364 ? -1.335 70.264 -63.625 1.00 48.70 ? 431 PRO C CD 1 ATOM 8728 N N . GLN C 1 365 ? -3.128 71.725 -66.109 1.00 46.74 ? 432 GLN C N 1 ATOM 8729 C CA . GLN C 1 365 ? -3.286 72.351 -67.417 1.00 44.59 ? 432 GLN C CA 1 ATOM 8730 C C . GLN C 1 365 ? -4.698 72.335 -67.951 1.00 43.53 ? 432 GLN C C 1 ATOM 8731 O O . GLN C 1 365 ? -5.082 73.243 -68.656 1.00 45.97 ? 432 GLN C O 1 ATOM 8732 C CB . GLN C 1 365 ? -2.386 71.696 -68.465 1.00 48.83 ? 432 GLN C CB 1 ATOM 8733 C CG . GLN C 1 365 ? -0.887 71.881 -68.214 1.00 56.48 ? 432 GLN C CG 1 ATOM 8734 C CD . GLN C 1 365 ? -0.428 73.360 -68.118 1.00 63.50 ? 432 GLN C CD 1 ATOM 8735 O OE1 . GLN C 1 365 ? 0.568 73.687 -67.438 1.00 58.17 ? 432 GLN C OE1 1 ATOM 8736 N NE2 . GLN C 1 365 ? -1.135 74.248 -68.804 1.00 59.95 ? 432 GLN C NE2 1 ATOM 8737 N N . GLU C 1 366 ? -5.476 71.303 -67.648 1.00 42.70 ? 433 GLU C N 1 ATOM 8738 C CA . GLU C 1 366 ? -6.846 71.175 -68.190 1.00 42.23 ? 433 GLU C CA 1 ATOM 8739 C C . GLU C 1 366 ? -7.908 71.194 -67.045 1.00 45.65 ? 433 GLU C C 1 ATOM 8740 O O . GLU C 1 366 ? -8.062 70.225 -66.307 1.00 46.37 ? 433 GLU C O 1 ATOM 8741 C CB . GLU C 1 366 ? -6.922 69.886 -69.019 1.00 43.83 ? 433 GLU C CB 1 ATOM 8742 C CG . GLU C 1 366 ? -5.968 69.893 -70.221 1.00 46.00 ? 433 GLU C CG 1 ATOM 8743 C CD . GLU C 1 366 ? -5.901 68.567 -70.974 1.00 54.07 ? 433 GLU C CD 1 ATOM 8744 O OE1 . GLU C 1 366 ? -6.344 68.551 -72.145 1.00 60.88 ? 433 GLU C OE1 1 ATOM 8745 O OE2 . GLU C 1 366 ? -5.415 67.537 -70.437 1.00 45.39 ? 433 GLU C OE2 1 ATOM 8746 N N . THR C 1 367 ? -8.592 72.315 -66.882 1.00 45.04 ? 434 THR C N 1 ATOM 8747 C CA . THR C 1 367 ? -9.436 72.554 -65.708 1.00 51.75 ? 434 THR C CA 1 ATOM 8748 C C . THR C 1 367 ? -10.910 72.217 -65.888 1.00 51.25 ? 434 THR C C 1 ATOM 8749 O O . THR C 1 367 ? -11.683 72.347 -64.953 1.00 54.99 ? 434 THR C O 1 ATOM 8750 C CB . THR C 1 367 ? -9.334 74.015 -65.230 1.00 54.61 ? 434 THR C CB 1 ATOM 8751 O OG1 . THR C 1 367 ? -9.695 74.879 -66.295 1.00 51.97 ? 434 THR C OG1 1 ATOM 8752 C CG2 . THR C 1 367 ? -7.902 74.342 -64.770 1.00 53.87 ? 434 THR C CG2 1 ATOM 8753 N N . ARG C 1 368 ? -11.310 71.766 -67.064 1.00 47.32 ? 435 ARG C N 1 ATOM 8754 C CA . ARG C 1 368 ? -12.654 71.267 -67.183 1.00 54.88 ? 435 ARG C CA 1 ATOM 8755 C C . ARG C 1 368 ? -12.893 70.056 -66.226 1.00 49.74 ? 435 ARG C C 1 ATOM 8756 O O . ARG C 1 368 ? -14.001 69.814 -65.787 1.00 47.54 ? 435 ARG C O 1 ATOM 8757 C CB . ARG C 1 368 ? -12.989 70.899 -68.630 1.00 53.62 ? 435 ARG C CB 1 ATOM 8758 C CG . ARG C 1 368 ? -14.241 70.045 -68.727 1.00 53.75 ? 435 ARG C CG 1 ATOM 8759 C CD . ARG C 1 368 ? -14.717 69.717 -70.133 1.00 55.54 ? 435 ARG C CD 1 ATOM 8760 N NE . ARG C 1 368 ? -16.030 69.074 -70.013 1.00 57.42 ? 435 ARG C NE 1 ATOM 8761 C CZ . ARG C 1 368 ? -16.263 67.765 -69.834 1.00 59.00 ? 435 ARG C CZ 1 ATOM 8762 N NH1 . ARG C 1 368 ? -15.299 66.828 -69.821 1.00 54.92 ? 435 ARG C NH1 1 ATOM 8763 N NH2 . ARG C 1 368 ? -17.517 67.375 -69.702 1.00 62.99 ? 435 ARG C NH2 1 ATOM 8764 N N . VAL C 1 369 ? -11.859 69.291 -65.959 1.00 43.83 ? 436 VAL C N 1 ATOM 8765 C CA . VAL C 1 369 ? -11.965 68.119 -65.097 1.00 43.45 ? 436 VAL C CA 1 ATOM 8766 C C . VAL C 1 369 ? -11.264 68.388 -63.765 1.00 45.46 ? 436 VAL C C 1 ATOM 8767 O O . VAL C 1 369 ? -10.512 69.335 -63.656 1.00 42.79 ? 436 VAL C O 1 ATOM 8768 C CB . VAL C 1 369 ? -11.334 66.857 -65.739 1.00 41.49 ? 436 VAL C CB 1 ATOM 8769 C CG1 . VAL C 1 369 ? -12.003 66.534 -67.041 1.00 41.27 ? 436 VAL C CG1 1 ATOM 8770 C CG2 . VAL C 1 369 ? -9.832 66.995 -65.907 1.00 40.94 ? 436 VAL C CG2 1 ATOM 8771 N N . TRP C 1 370 ? -11.531 67.545 -62.782 1.00 44.60 ? 437 TRP C N 1 ATOM 8772 C CA . TRP C 1 370 ? -10.978 67.691 -61.423 1.00 48.27 ? 437 TRP C CA 1 ATOM 8773 C C . TRP C 1 370 ? -9.840 66.705 -61.112 1.00 45.57 ? 437 TRP C C 1 ATOM 8774 O O . TRP C 1 370 ? -9.296 66.732 -60.024 1.00 51.54 ? 437 TRP C O 1 ATOM 8775 C CB . TRP C 1 370 ? -12.106 67.528 -60.366 1.00 51.35 ? 437 TRP C CB 1 ATOM 8776 C CG . TRP C 1 370 ? -13.064 68.652 -60.388 1.00 58.94 ? 437 TRP C CG 1 ATOM 8777 C CD1 . TRP C 1 370 ? -14.189 68.740 -61.146 1.00 65.61 ? 437 TRP C CD1 1 ATOM 8778 C CD2 . TRP C 1 370 ? -12.965 69.874 -59.664 1.00 67.08 ? 437 TRP C CD2 1 ATOM 8779 N NE1 . TRP C 1 370 ? -14.806 69.937 -60.943 1.00 68.27 ? 437 TRP C NE1 1 ATOM 8780 C CE2 . TRP C 1 370 ? -14.079 70.666 -60.043 1.00 71.74 ? 437 TRP C CE2 1 ATOM 8781 C CE3 . TRP C 1 370 ? -12.038 70.393 -58.736 1.00 65.80 ? 437 TRP C CE3 1 ATOM 8782 C CZ2 . TRP C 1 370 ? -14.306 71.956 -59.524 1.00 71.17 ? 437 TRP C CZ2 1 ATOM 8783 C CZ3 . TRP C 1 370 ? -12.261 71.668 -58.213 1.00 75.66 ? 437 TRP C CZ3 1 ATOM 8784 C CH2 . TRP C 1 370 ? -13.398 72.439 -58.613 1.00 73.94 ? 437 TRP C CH2 1 ATOM 8785 N N . TRP C 1 371 ? -9.550 65.798 -62.043 1.00 39.88 ? 438 TRP C N 1 ATOM 8786 C CA . TRP C 1 371 ? -8.586 64.741 -61.839 1.00 33.49 ? 438 TRP C CA 1 ATOM 8787 C C . TRP C 1 371 ? -7.285 65.044 -62.615 1.00 36.68 ? 438 TRP C C 1 ATOM 8788 O O . TRP C 1 371 ? -7.212 65.978 -63.423 1.00 37.42 ? 438 TRP C O 1 ATOM 8789 C CB . TRP C 1 371 ? -9.163 63.395 -62.270 1.00 34.06 ? 438 TRP C CB 1 ATOM 8790 C CG . TRP C 1 371 ? -9.845 63.402 -63.581 1.00 39.14 ? 438 TRP C CG 1 ATOM 8791 C CD1 . TRP C 1 371 ? -11.188 63.444 -63.787 1.00 37.06 ? 438 TRP C CD1 1 ATOM 8792 C CD2 . TRP C 1 371 ? -9.233 63.321 -64.886 1.00 34.54 ? 438 TRP C CD2 1 ATOM 8793 N NE1 . TRP C 1 371 ? -11.458 63.398 -65.124 1.00 43.14 ? 438 TRP C NE1 1 ATOM 8794 C CE2 . TRP C 1 371 ? -10.280 63.331 -65.829 1.00 39.21 ? 438 TRP C CE2 1 ATOM 8795 C CE3 . TRP C 1 371 ? -7.931 63.263 -65.334 1.00 35.48 ? 438 TRP C CE3 1 ATOM 8796 C CZ2 . TRP C 1 371 ? -10.058 63.338 -67.218 1.00 36.38 ? 438 TRP C CZ2 1 ATOM 8797 C CZ3 . TRP C 1 371 ? -7.691 63.219 -66.737 1.00 39.00 ? 438 TRP C CZ3 1 ATOM 8798 C CH2 . TRP C 1 371 ? -8.763 63.247 -67.654 1.00 36.19 ? 438 TRP C CH2 1 ATOM 8799 N N . THR C 1 372 ? -6.260 64.262 -62.345 1.00 37.42 ? 439 THR C N 1 ATOM 8800 C CA . THR C 1 372 ? -5.015 64.286 -63.075 1.00 37.57 ? 439 THR C CA 1 ATOM 8801 C C . THR C 1 372 ? -4.675 62.817 -63.323 1.00 37.03 ? 439 THR C C 1 ATOM 8802 O O . THR C 1 372 ? -4.718 62.017 -62.407 1.00 34.49 ? 439 THR C O 1 ATOM 8803 C CB . THR C 1 372 ? -3.894 64.918 -62.215 1.00 38.24 ? 439 THR C CB 1 ATOM 8804 O OG1 . THR C 1 372 ? -4.198 66.291 -61.954 1.00 40.76 ? 439 THR C OG1 1 ATOM 8805 C CG2 . THR C 1 372 ? -2.556 64.872 -62.943 1.00 38.81 ? 439 THR C CG2 1 ATOM 8806 N N . SER C 1 373 ? -4.308 62.467 -64.541 1.00 32.63 ? 440 SER C N 1 ATOM 8807 C CA . SER C 1 373 ? -3.914 61.094 -64.843 1.00 32.37 ? 440 SER C CA 1 ATOM 8808 C C . SER C 1 373 ? -3.020 61.084 -66.061 1.00 33.88 ? 440 SER C C 1 ATOM 8809 O O . SER C 1 373 ? -2.615 62.167 -66.531 1.00 39.37 ? 440 SER C O 1 ATOM 8810 C CB . SER C 1 373 ? -5.138 60.190 -65.070 1.00 34.40 ? 440 SER C CB 1 ATOM 8811 O OG . SER C 1 373 ? -4.851 58.790 -65.031 1.00 29.11 ? 440 SER C OG 1 ATOM 8812 N N . ASN C 1 374 ? -2.646 59.904 -66.540 1.00 30.77 ? 441 ASN C N 1 ATOM 8813 C CA . ASN C 1 374 ? -1.764 59.891 -67.705 1.00 36.23 ? 441 ASN C CA 1 ATOM 8814 C C . ASN C 1 374 ? -1.980 58.664 -68.562 1.00 36.03 ? 441 ASN C C 1 ATOM 8815 O O . ASN C 1 374 ? -2.460 57.704 -68.057 1.00 35.94 ? 441 ASN C O 1 ATOM 8816 C CB . ASN C 1 374 ? -0.291 59.904 -67.255 1.00 33.20 ? 441 ASN C CB 1 ATOM 8817 C CG . ASN C 1 374 ? 0.120 58.597 -66.651 1.00 34.62 ? 441 ASN C CG 1 ATOM 8818 O OD1 . ASN C 1 374 ? -0.158 58.283 -65.474 1.00 37.82 ? 441 ASN C OD1 1 ATOM 8819 N ND2 . ASN C 1 374 ? 0.743 57.776 -67.475 1.00 35.84 ? 441 ASN C ND2 1 ATOM 8820 N N . SER C 1 375 ? -1.526 58.703 -69.812 1.00 36.96 ? 442 SER C N 1 ATOM 8821 C CA . SER C 1 375 ? -1.243 57.499 -70.554 1.00 39.89 ? 442 SER C CA 1 ATOM 8822 C C . SER C 1 375 ? 0.252 57.419 -70.865 1.00 37.94 ? 442 SER C C 1 ATOM 8823 O O . SER C 1 375 ? 1.001 58.258 -70.416 1.00 37.66 ? 442 SER C O 1 ATOM 8824 C CB . SER C 1 375 ? -2.114 57.403 -71.831 1.00 40.17 ? 442 SER C CB 1 ATOM 8825 O OG . SER C 1 375 ? -1.687 58.266 -72.821 1.00 48.02 ? 442 SER C OG 1 ATOM 8826 N N . ILE C 1 376 ? 0.678 56.391 -71.594 1.00 37.08 ? 443 ILE C N 1 ATOM 8827 C CA . ILE C 1 376 ? 2.069 56.282 -72.048 1.00 39.98 ? 443 ILE C CA 1 ATOM 8828 C C . ILE C 1 376 ? 2.248 55.884 -73.511 1.00 35.83 ? 443 ILE C C 1 ATOM 8829 O O . ILE C 1 376 ? 1.384 55.297 -74.129 1.00 34.59 ? 443 ILE C O 1 ATOM 8830 C CB . ILE C 1 376 ? 2.908 55.274 -71.246 1.00 45.20 ? 443 ILE C CB 1 ATOM 8831 C CG1 . ILE C 1 376 ? 2.320 53.905 -71.338 1.00 50.64 ? 443 ILE C CG1 1 ATOM 8832 C CG2 . ILE C 1 376 ? 2.943 55.622 -69.767 1.00 51.57 ? 443 ILE C CG2 1 ATOM 8833 C CD1 . ILE C 1 376 ? 3.230 52.869 -70.674 1.00 59.12 ? 443 ILE C CD1 1 ATOM 8834 N N . VAL C 1 377 ? 3.400 56.219 -74.018 1.00 32.95 ? 444 VAL C N 1 ATOM 8835 C CA . VAL C 1 377 ? 3.828 55.789 -75.307 1.00 37.93 ? 444 VAL C CA 1 ATOM 8836 C C . VAL C 1 377 ? 5.296 55.360 -75.115 1.00 34.63 ? 444 VAL C C 1 ATOM 8837 O O . VAL C 1 377 ? 6.020 55.975 -74.338 1.00 35.24 ? 444 VAL C O 1 ATOM 8838 C CB . VAL C 1 377 ? 3.622 56.893 -76.391 1.00 39.62 ? 444 VAL C CB 1 ATOM 8839 C CG1 . VAL C 1 377 ? 4.511 58.100 -76.124 1.00 41.45 ? 444 VAL C CG1 1 ATOM 8840 C CG2 . VAL C 1 377 ? 3.919 56.339 -77.776 1.00 43.79 ? 444 VAL C CG2 1 ATOM 8841 N N . VAL C 1 378 ? 5.696 54.309 -75.832 1.00 33.87 ? 445 VAL C N 1 ATOM 8842 C CA . VAL C 1 378 ? 6.966 53.660 -75.669 1.00 33.53 ? 445 VAL C CA 1 ATOM 8843 C C . VAL C 1 378 ? 7.608 53.402 -77.041 1.00 35.65 ? 445 VAL C C 1 ATOM 8844 O O . VAL C 1 378 ? 6.938 52.990 -77.980 1.00 37.98 ? 445 VAL C O 1 ATOM 8845 C CB . VAL C 1 378 ? 6.782 52.323 -74.975 1.00 37.20 ? 445 VAL C CB 1 ATOM 8846 C CG1 . VAL C 1 378 ? 8.129 51.760 -74.584 1.00 36.97 ? 445 VAL C CG1 1 ATOM 8847 C CG2 . VAL C 1 378 ? 5.940 52.461 -73.711 1.00 36.51 ? 445 VAL C CG2 1 ATOM 8848 N N . PHE C 1 379 ? 8.910 53.670 -77.125 1.00 37.76 ? 446 PHE C N 1 ATOM 8849 C CA . PHE C 1 379 ? 9.709 53.522 -78.344 1.00 34.43 ? 446 PHE C CA 1 ATOM 8850 C C . PHE C 1 379 ? 10.987 52.799 -77.995 1.00 38.80 ? 446 PHE C C 1 ATOM 8851 O O . PHE C 1 379 ? 11.453 52.859 -76.837 1.00 37.83 ? 446 PHE C O 1 ATOM 8852 C CB . PHE C 1 379 ? 10.126 54.870 -78.895 1.00 37.20 ? 446 PHE C CB 1 ATOM 8853 C CG . PHE C 1 379 ? 9.137 55.466 -79.846 1.00 42.10 ? 446 PHE C CG 1 ATOM 8854 C CD1 . PHE C 1 379 ? 7.889 55.832 -79.408 1.00 42.36 ? 446 PHE C CD1 1 ATOM 8855 C CD2 . PHE C 1 379 ? 9.457 55.647 -81.185 1.00 48.87 ? 446 PHE C CD2 1 ATOM 8856 C CE1 . PHE C 1 379 ? 6.960 56.358 -80.274 1.00 43.02 ? 446 PHE C CE1 1 ATOM 8857 C CE2 . PHE C 1 379 ? 8.527 56.170 -82.068 1.00 47.04 ? 446 PHE C CE2 1 ATOM 8858 C CZ . PHE C 1 379 ? 7.267 56.510 -81.597 1.00 47.87 ? 446 PHE C CZ 1 ATOM 8859 N N . CYS C 1 380 ? 11.566 52.115 -78.987 1.00 34.84 ? 447 CYS C N 1 ATOM 8860 C CA . CYS C 1 380 ? 12.781 51.302 -78.744 1.00 36.20 ? 447 CYS C CA 1 ATOM 8861 C C . CYS C 1 380 ? 13.797 51.531 -79.827 1.00 36.63 ? 447 CYS C C 1 ATOM 8862 O O . CYS C 1 380 ? 13.443 51.876 -80.974 1.00 35.58 ? 447 CYS C O 1 ATOM 8863 C CB . CYS C 1 380 ? 12.427 49.831 -78.714 1.00 34.49 ? 447 CYS C CB 1 ATOM 8864 S SG . CYS C 1 380 ? 11.824 49.208 -77.122 1.00 44.78 ? 447 CYS C SG 1 ATOM 8865 N N . GLY C 1 381 ? 15.057 51.391 -79.462 1.00 37.14 ? 448 GLY C N 1 ATOM 8866 C CA . GLY C 1 381 ? 16.162 51.593 -80.407 1.00 32.01 ? 448 GLY C CA 1 ATOM 8867 C C . GLY C 1 381 ? 16.065 50.667 -81.601 1.00 33.99 ? 448 GLY C C 1 ATOM 8868 O O . GLY C 1 381 ? 15.690 49.497 -81.442 1.00 35.93 ? 448 GLY C O 1 ATOM 8869 N N . THR C 1 382 ? 16.346 51.194 -82.786 1.00 31.50 ? 449 THR C N 1 ATOM 8870 C CA . THR C 1 382 ? 16.378 50.412 -83.996 1.00 35.48 ? 449 THR C CA 1 ATOM 8871 C C . THR C 1 382 ? 17.672 50.687 -84.757 1.00 33.88 ? 449 THR C C 1 ATOM 8872 O O . THR C 1 382 ? 18.186 51.794 -84.749 1.00 37.99 ? 449 THR C O 1 ATOM 8873 C CB . THR C 1 382 ? 15.146 50.704 -84.929 1.00 38.33 ? 449 THR C CB 1 ATOM 8874 O OG1 . THR C 1 382 ? 15.198 49.890 -86.115 1.00 36.61 ? 449 THR C OG1 1 ATOM 8875 C CG2 . THR C 1 382 ? 15.108 52.150 -85.369 1.00 40.49 ? 449 THR C CG2 1 ATOM 8876 N N . SER C 1 383 ? 18.157 49.682 -85.460 1.00 34.75 ? 450 SER C N 1 ATOM 8877 C CA . SER C 1 383 ? 19.222 49.913 -86.407 1.00 38.59 ? 450 SER C CA 1 ATOM 8878 C C . SER C 1 383 ? 18.730 49.917 -87.853 1.00 39.65 ? 450 SER C C 1 ATOM 8879 O O . SER C 1 383 ? 19.540 49.944 -88.774 1.00 42.81 ? 450 SER C O 1 ATOM 8880 C CB . SER C 1 383 ? 20.344 48.914 -86.227 1.00 39.17 ? 450 SER C CB 1 ATOM 8881 O OG . SER C 1 383 ? 19.930 47.660 -86.668 1.00 38.74 ? 450 SER C OG 1 ATOM 8882 N N . GLY C 1 384 ? 17.414 49.897 -88.049 1.00 37.43 ? 451 GLY C N 1 ATOM 8883 C CA . GLY C 1 384 ? 16.853 50.002 -89.413 1.00 42.38 ? 451 GLY C CA 1 ATOM 8884 C C . GLY C 1 384 ? 16.509 51.418 -89.850 1.00 41.49 ? 451 GLY C C 1 ATOM 8885 O O . GLY C 1 384 ? 17.125 52.361 -89.410 1.00 42.58 ? 451 GLY C O 1 ATOM 8886 N N . THR C 1 385 ? 15.495 51.547 -90.693 1.00 43.49 ? 452 THR C N 1 ATOM 8887 C CA . THR C 1 385 ? 14.998 52.848 -91.087 1.00 38.50 ? 452 THR C CA 1 ATOM 8888 C C . THR C 1 385 ? 13.567 53.064 -90.576 1.00 40.43 ? 452 THR C C 1 ATOM 8889 O O . THR C 1 385 ? 12.905 52.139 -90.082 1.00 40.99 ? 452 THR C O 1 ATOM 8890 C CB . THR C 1 385 ? 15.049 53.031 -92.594 1.00 37.37 ? 452 THR C CB 1 ATOM 8891 O OG1 . THR C 1 385 ? 14.226 52.045 -93.223 1.00 39.99 ? 452 THR C OG1 1 ATOM 8892 C CG2 . THR C 1 385 ? 16.483 52.853 -93.088 1.00 37.13 ? 452 THR C CG2 1 ATOM 8893 N N . TYR C 1 386 ? 13.122 54.312 -90.671 1.00 36.68 ? 453 TYR C N 1 ATOM 8894 C CA . TYR C 1 386 ? 11.851 54.697 -90.145 1.00 39.39 ? 453 TYR C CA 1 ATOM 8895 C C . TYR C 1 386 ? 11.392 55.970 -90.810 1.00 39.61 ? 453 TYR C C 1 ATOM 8896 O O . TYR C 1 386 ? 12.160 56.633 -91.488 1.00 37.91 ? 453 TYR C O 1 ATOM 8897 C CB . TYR C 1 386 ? 11.956 54.875 -88.616 1.00 40.27 ? 453 TYR C CB 1 ATOM 8898 C CG . TYR C 1 386 ? 13.136 55.720 -88.185 1.00 40.27 ? 453 TYR C CG 1 ATOM 8899 C CD1 . TYR C 1 386 ? 13.056 57.070 -88.187 1.00 36.17 ? 453 TYR C CD1 1 ATOM 8900 C CD2 . TYR C 1 386 ? 14.351 55.127 -87.804 1.00 39.63 ? 453 TYR C CD2 1 ATOM 8901 C CE1 . TYR C 1 386 ? 14.118 57.845 -87.781 1.00 35.60 ? 453 TYR C CE1 1 ATOM 8902 C CE2 . TYR C 1 386 ? 15.439 55.893 -87.430 1.00 36.90 ? 453 TYR C CE2 1 ATOM 8903 C CZ . TYR C 1 386 ? 15.299 57.256 -87.413 1.00 36.81 ? 453 TYR C CZ 1 ATOM 8904 O OH . TYR C 1 386 ? 16.370 58.017 -87.016 1.00 39.62 ? 453 TYR C OH 1 ATOM 8905 N N . GLY C 1 387 ? 10.153 56.354 -90.526 1.00 39.27 ? 454 GLY C N 1 ATOM 8906 C CA . GLY C 1 387 ? 9.530 57.567 -91.082 1.00 39.72 ? 454 GLY C CA 1 ATOM 8907 C C . GLY C 1 387 ? 9.283 58.625 -90.017 1.00 41.83 ? 454 GLY C C 1 ATOM 8908 O O . GLY C 1 387 ? 10.172 58.890 -89.169 1.00 38.36 ? 454 GLY C O 1 ATOM 8909 N N . THR C 1 388 ? 8.106 59.262 -90.088 1.00 38.68 ? 455 THR C N 1 ATOM 8910 C CA . THR C 1 388 ? 7.687 60.280 -89.126 1.00 37.78 ? 455 THR C CA 1 ATOM 8911 C C . THR C 1 388 ? 6.287 60.082 -88.626 1.00 38.63 ? 455 THR C C 1 ATOM 8912 O O . THR C 1 388 ? 5.446 59.394 -89.244 1.00 41.30 ? 455 THR C O 1 ATOM 8913 C CB . THR C 1 388 ? 7.693 61.708 -89.746 1.00 41.41 ? 455 THR C CB 1 ATOM 8914 O OG1 . THR C 1 388 ? 6.960 61.743 -90.996 1.00 39.78 ? 455 THR C OG1 1 ATOM 8915 C CG2 . THR C 1 388 ? 9.119 62.213 -89.969 1.00 38.29 ? 455 THR C CG2 1 ATOM 8916 N N . GLY C 1 389 ? 6.001 60.744 -87.516 1.00 40.14 ? 456 GLY C N 1 ATOM 8917 C CA . GLY C 1 389 ? 4.631 60.771 -86.972 1.00 43.00 ? 456 GLY C CA 1 ATOM 8918 C C . GLY C 1 389 ? 4.499 61.544 -85.683 1.00 41.17 ? 456 GLY C C 1 ATOM 8919 O O . GLY C 1 389 ? 5.439 62.215 -85.262 1.00 40.32 ? 456 GLY C O 1 ATOM 8920 N N . SER C 1 390 ? 3.361 61.366 -85.031 1.00 37.49 ? 457 SER C N 1 ATOM 8921 C CA . SER C 1 390 ? 3.146 61.927 -83.709 1.00 39.83 ? 457 SER C CA 1 ATOM 8922 C C . SER C 1 390 ? 2.152 61.061 -82.985 1.00 39.36 ? 457 SER C C 1 ATOM 8923 O O . SER C 1 390 ? 1.089 60.729 -83.528 1.00 39.50 ? 457 SER C O 1 ATOM 8924 C CB . SER C 1 390 ? 2.607 63.370 -83.802 1.00 39.67 ? 457 SER C CB 1 ATOM 8925 O OG . SER C 1 390 ? 2.267 63.842 -82.506 1.00 43.44 ? 457 SER C OG 1 ATOM 8926 N N . TRP C 1 391 ? 2.485 60.702 -81.752 1.00 37.66 ? 458 TRP C N 1 ATOM 8927 C CA . TRP C 1 391 ? 1.681 59.729 -81.014 1.00 38.57 ? 458 TRP C CA 1 ATOM 8928 C C . TRP C 1 391 ? 1.289 60.260 -79.636 1.00 37.88 ? 458 TRP C C 1 ATOM 8929 O O . TRP C 1 391 ? 1.807 59.793 -78.608 1.00 41.04 ? 458 TRP C O 1 ATOM 8930 C CB . TRP C 1 391 ? 2.435 58.403 -80.882 1.00 35.32 ? 458 TRP C CB 1 ATOM 8931 C CG . TRP C 1 391 ? 2.686 57.745 -82.192 1.00 38.56 ? 458 TRP C CG 1 ATOM 8932 C CD1 . TRP C 1 391 ? 1.906 56.815 -82.812 1.00 39.78 ? 458 TRP C CD1 1 ATOM 8933 C CD2 . TRP C 1 391 ? 3.806 57.975 -83.066 1.00 35.04 ? 458 TRP C CD2 1 ATOM 8934 N NE1 . TRP C 1 391 ? 2.479 56.458 -84.019 1.00 36.59 ? 458 TRP C NE1 1 ATOM 8935 C CE2 . TRP C 1 391 ? 3.649 57.147 -84.180 1.00 33.63 ? 458 TRP C CE2 1 ATOM 8936 C CE3 . TRP C 1 391 ? 4.950 58.803 -82.991 1.00 36.76 ? 458 TRP C CE3 1 ATOM 8937 C CZ2 . TRP C 1 391 ? 4.586 57.126 -85.237 1.00 36.27 ? 458 TRP C CZ2 1 ATOM 8938 C CZ3 . TRP C 1 391 ? 5.882 58.777 -84.040 1.00 36.06 ? 458 TRP C CZ3 1 ATOM 8939 C CH2 . TRP C 1 391 ? 5.720 57.928 -85.118 1.00 33.31 ? 458 TRP C CH2 1 ATOM 8940 N N . PRO C 1 392 ? 0.389 61.236 -79.603 1.00 35.91 ? 459 PRO C N 1 ATOM 8941 C CA . PRO C 1 392 ? -0.006 61.826 -78.313 1.00 34.76 ? 459 PRO C CA 1 ATOM 8942 C C . PRO C 1 392 ? -1.086 60.985 -77.641 1.00 36.07 ? 459 PRO C C 1 ATOM 8943 O O . PRO C 1 392 ? -1.464 59.920 -78.143 1.00 36.79 ? 459 PRO C O 1 ATOM 8944 C CB . PRO C 1 392 ? -0.588 63.164 -78.718 1.00 35.60 ? 459 PRO C CB 1 ATOM 8945 C CG . PRO C 1 392 ? -1.289 62.885 -80.054 1.00 36.21 ? 459 PRO C CG 1 ATOM 8946 C CD . PRO C 1 392 ? -0.376 61.819 -80.718 1.00 38.38 ? 459 PRO C CD 1 ATOM 8947 N N . ASP C 1 393 ? -1.588 61.470 -76.513 1.00 40.53 ? 460 ASP C N 1 ATOM 8948 C CA . ASP C 1 393 ? -2.541 60.738 -75.697 1.00 38.49 ? 460 ASP C CA 1 ATOM 8949 C C . ASP C 1 393 ? -3.835 60.429 -76.466 1.00 37.86 ? 460 ASP C C 1 ATOM 8950 O O . ASP C 1 393 ? -4.335 59.292 -76.463 1.00 40.10 ? 460 ASP C O 1 ATOM 8951 C CB . ASP C 1 393 ? -2.840 61.550 -74.447 1.00 40.87 ? 460 ASP C CB 1 ATOM 8952 C CG . ASP C 1 393 ? -4.032 60.983 -73.679 1.00 47.19 ? 460 ASP C CG 1 ATOM 8953 O OD1 . ASP C 1 393 ? -3.884 59.938 -72.994 1.00 50.07 ? 460 ASP C OD1 1 ATOM 8954 O OD2 . ASP C 1 393 ? -5.136 61.561 -73.809 1.00 51.40 ? 460 ASP C OD2 1 ATOM 8955 N N . GLY C 1 394 ? -4.370 61.453 -77.106 1.00 39.43 ? 461 GLY C N 1 ATOM 8956 C CA . GLY C 1 394 ? -5.490 61.328 -78.041 1.00 36.89 ? 461 GLY C CA 1 ATOM 8957 C C . GLY C 1 394 ? -6.848 61.486 -77.461 1.00 43.30 ? 461 GLY C C 1 ATOM 8958 O O . GLY C 1 394 ? -7.820 61.333 -78.174 1.00 43.72 ? 461 GLY C O 1 ATOM 8959 N N . ALA C 1 395 ? -6.959 61.676 -76.145 1.00 39.86 ? 462 ALA C N 1 ATOM 8960 C CA . ALA C 1 395 ? -8.273 61.856 -75.595 1.00 37.55 ? 462 ALA C CA 1 ATOM 8961 C C . ALA C 1 395 ? -8.780 63.284 -75.879 1.00 39.09 ? 462 ALA C C 1 ATOM 8962 O O . ALA C 1 395 ? -8.014 64.235 -75.831 1.00 41.23 ? 462 ALA C O 1 ATOM 8963 C CB . ALA C 1 395 ? -8.284 61.583 -74.084 1.00 41.71 ? 462 ALA C CB 1 ATOM 8964 N N . ASN C 1 396 ? -10.081 63.415 -76.065 1.00 36.86 ? 463 ASN C N 1 ATOM 8965 C CA . ASN C 1 396 ? -10.775 64.669 -76.101 1.00 39.04 ? 463 ASN C CA 1 ATOM 8966 C C . ASN C 1 396 ? -11.334 65.014 -74.713 1.00 41.42 ? 463 ASN C C 1 ATOM 8967 O O . ASN C 1 396 ? -12.171 64.287 -74.165 1.00 40.81 ? 463 ASN C O 1 ATOM 8968 C CB . ASN C 1 396 ? -11.907 64.562 -77.093 1.00 40.37 ? 463 ASN C CB 1 ATOM 8969 C CG . ASN C 1 396 ? -12.669 65.876 -77.257 1.00 45.48 ? 463 ASN C CG 1 ATOM 8970 O OD1 . ASN C 1 396 ? -12.745 66.721 -76.369 1.00 42.24 ? 463 ASN C OD1 1 ATOM 8971 N ND2 . ASN C 1 396 ? -13.264 66.016 -78.381 1.00 49.51 ? 463 ASN C ND2 1 ATOM 8972 N N . ILE C 1 397 ? -10.854 66.124 -74.148 1.00 41.62 ? 464 ILE C N 1 ATOM 8973 C CA . ILE C 1 397 ? -11.108 66.444 -72.763 1.00 42.36 ? 464 ILE C CA 1 ATOM 8974 C C . ILE C 1 397 ? -12.591 66.648 -72.541 1.00 41.40 ? 464 ILE C C 1 ATOM 8975 O O . ILE C 1 397 ? -13.081 66.372 -71.469 1.00 41.21 ? 464 ILE C O 1 ATOM 8976 C CB . ILE C 1 397 ? -10.273 67.664 -72.279 1.00 49.10 ? 464 ILE C CB 1 ATOM 8977 C CG1 . ILE C 1 397 ? -10.268 67.744 -70.737 1.00 52.85 ? 464 ILE C CG1 1 ATOM 8978 C CG2 . ILE C 1 397 ? -10.751 68.976 -72.903 1.00 47.75 ? 464 ILE C CG2 1 ATOM 8979 C CD1 . ILE C 1 397 ? -9.483 66.627 -70.055 1.00 48.94 ? 464 ILE C CD1 1 ATOM 8980 N N . ASN C 1 398 ? -13.297 67.050 -73.580 1.00 43.64 ? 465 ASN C N 1 ATOM 8981 C CA . ASN C 1 398 ? -14.763 67.244 -73.494 1.00 46.58 ? 465 ASN C CA 1 ATOM 8982 C C . ASN C 1 398 ? -15.580 65.989 -73.427 1.00 45.73 ? 465 ASN C C 1 ATOM 8983 O O . ASN C 1 398 ? -16.746 66.067 -73.152 1.00 45.91 ? 465 ASN C O 1 ATOM 8984 C CB . ASN C 1 398 ? -15.284 68.081 -74.679 1.00 49.36 ? 465 ASN C CB 1 ATOM 8985 C CG . ASN C 1 398 ? -14.639 69.472 -74.736 1.00 53.09 ? 465 ASN C CG 1 ATOM 8986 O OD1 . ASN C 1 398 ? -14.137 69.871 -75.755 1.00 66.12 ? 465 ASN C OD1 1 ATOM 8987 N ND2 . ASN C 1 398 ? -14.609 70.169 -73.634 1.00 50.38 ? 465 ASN C ND2 1 ATOM 8988 N N . PHE C 1 399 ? -14.998 64.841 -73.740 1.00 43.95 ? 466 PHE C N 1 ATOM 8989 C CA . PHE C 1 399 ? -15.718 63.574 -73.724 1.00 44.84 ? 466 PHE C CA 1 ATOM 8990 C C . PHE C 1 399 ? -15.530 62.858 -72.370 1.00 47.71 ? 466 PHE C C 1 ATOM 8991 O O . PHE C 1 399 ? -16.044 61.771 -72.167 1.00 51.58 ? 466 PHE C O 1 ATOM 8992 C CB . PHE C 1 399 ? -15.135 62.624 -74.807 1.00 46.62 ? 466 PHE C CB 1 ATOM 8993 C CG . PHE C 1 399 ? -15.438 62.999 -76.230 1.00 43.48 ? 466 PHE C CG 1 ATOM 8994 C CD1 . PHE C 1 399 ? -16.394 63.959 -76.558 1.00 45.82 ? 466 PHE C CD1 1 ATOM 8995 C CD2 . PHE C 1 399 ? -14.805 62.306 -77.280 1.00 47.14 ? 466 PHE C CD2 1 ATOM 8996 C CE1 . PHE C 1 399 ? -16.670 64.257 -77.900 1.00 47.18 ? 466 PHE C CE1 1 ATOM 8997 C CE2 . PHE C 1 399 ? -15.083 62.593 -78.634 1.00 44.91 ? 466 PHE C CE2 1 ATOM 8998 C CZ . PHE C 1 399 ? -16.013 63.583 -78.940 1.00 45.07 ? 466 PHE C CZ 1 ATOM 8999 N N . MET C 1 400 ? -14.727 63.422 -71.478 1.00 45.80 ? 467 MET C N 1 ATOM 9000 C CA . MET C 1 400 ? -14.373 62.739 -70.229 1.00 49.34 ? 467 MET C CA 1 ATOM 9001 C C . MET C 1 400 ? -15.344 62.999 -69.074 1.00 44.78 ? 467 MET C C 1 ATOM 9002 O O . MET C 1 400 ? -15.879 64.067 -68.952 1.00 46.73 ? 467 MET C O 1 ATOM 9003 C CB . MET C 1 400 ? -12.998 63.214 -69.762 1.00 45.81 ? 467 MET C CB 1 ATOM 9004 C CG . MET C 1 400 ? -11.895 63.080 -70.804 1.00 44.39 ? 467 MET C CG 1 ATOM 9005 S SD . MET C 1 400 ? -11.541 61.388 -71.377 1.00 41.51 ? 467 MET C SD 1 ATOM 9006 C CE . MET C 1 400 ? -11.244 60.542 -69.833 1.00 42.87 ? 467 MET C CE 1 ATOM 9007 N N . PRO C 1 401 ? -15.526 62.014 -68.197 1.00 51.01 ? 468 PRO C N 1 ATOM 9008 C CA . PRO C 1 401 ? -16.076 62.263 -66.838 1.00 51.91 ? 468 PRO C CA 1 ATOM 9009 C C . PRO C 1 401 ? -15.299 63.362 -66.163 1.00 51.65 ? 468 PRO C C 1 ATOM 9010 O O . PRO C 1 401 ? -14.112 63.448 -66.368 1.00 54.27 ? 468 PRO C O 1 ATOM 9011 C CB . PRO C 1 401 ? -15.790 60.943 -66.092 1.00 51.34 ? 468 PRO C CB 1 ATOM 9012 C CG . PRO C 1 401 ? -15.660 59.908 -67.169 1.00 53.30 ? 468 PRO C CG 1 ATOM 9013 C CD . PRO C 1 401 ? -15.119 60.606 -68.379 1.00 46.48 ? 468 PRO C CD 1 ATOM 9014 N N . ILE C 1 402 ? -15.911 64.100 -65.267 1.00 60.89 ? 469 ILE C N 1 ATOM 9015 C CA . ILE C 1 402 ? -15.434 65.455 -64.976 1.00 67.20 ? 469 ILE C CA 1 ATOM 9016 C C . ILE C 1 402 ? -14.446 65.752 -63.785 1.00 66.78 ? 469 ILE C C 1 ATOM 9017 O O . ILE C 1 402 ? -14.164 64.958 -62.877 1.00 52.47 ? 469 ILE C O 1 ATOM 9018 C CB . ILE C 1 402 ? -16.666 66.385 -64.924 1.00 66.96 ? 469 ILE C CB 1 ATOM 9019 C CG1 . ILE C 1 402 ? -16.306 67.773 -65.408 1.00 85.63 ? 469 ILE C CG1 1 ATOM 9020 C CG2 . ILE C 1 402 ? -17.328 66.378 -63.555 1.00 63.80 ? 469 ILE C CG2 1 ATOM 9021 C CD1 . ILE C 1 402 ? -17.501 68.709 -65.533 1.00 103.16 ? 469 ILE C CD1 1 ATOM 9022 N N . ALA D 1 15 ? 3.232 13.863 -69.810 1.00 116.23 ? 82 ALA D N 1 ATOM 9023 C CA . ALA D 1 15 ? 1.838 13.484 -69.415 1.00 114.62 ? 82 ALA D CA 1 ATOM 9024 C C . ALA D 1 15 ? 1.379 12.210 -70.148 1.00 104.29 ? 82 ALA D C 1 ATOM 9025 O O . ALA D 1 15 ? 1.693 11.991 -71.317 1.00 93.29 ? 82 ALA D O 1 ATOM 9026 C CB . ALA D 1 15 ? 0.861 14.638 -69.646 1.00 102.87 ? 82 ALA D CB 1 ATOM 9027 N N . GLU D 1 16 ? 0.666 11.373 -69.403 1.00 90.42 ? 83 GLU D N 1 ATOM 9028 C CA . GLU D 1 16 ? 0.189 10.082 -69.860 1.00 81.91 ? 83 GLU D CA 1 ATOM 9029 C C . GLU D 1 16 ? -1.355 10.217 -69.943 1.00 73.14 ? 83 GLU D C 1 ATOM 9030 O O . GLU D 1 16 ? -1.941 11.164 -69.406 1.00 65.79 ? 83 GLU D O 1 ATOM 9031 C CB . GLU D 1 16 ? 0.666 8.978 -68.869 1.00 87.41 ? 83 GLU D CB 1 ATOM 9032 C CG . GLU D 1 16 ? 1.074 7.628 -69.476 1.00 102.47 ? 83 GLU D CG 1 ATOM 9033 C CD . GLU D 1 16 ? -0.009 6.947 -70.325 1.00 112.66 ? 83 GLU D CD 1 ATOM 9034 O OE1 . GLU D 1 16 ? -0.845 6.160 -69.786 1.00 109.57 ? 83 GLU D OE1 1 ATOM 9035 O OE2 . GLU D 1 16 ? -0.024 7.199 -71.560 1.00 96.43 ? 83 GLU D OE2 1 ATOM 9036 N N . TYR D 1 17 ? -2.012 9.296 -70.633 1.00 55.72 ? 84 TYR D N 1 ATOM 9037 C CA . TYR D 1 17 ? -3.456 9.229 -70.608 1.00 54.58 ? 84 TYR D CA 1 ATOM 9038 C C . TYR D 1 17 ? -3.990 8.840 -69.243 1.00 51.53 ? 84 TYR D C 1 ATOM 9039 O O . TYR D 1 17 ? -3.387 8.050 -68.554 1.00 57.23 ? 84 TYR D O 1 ATOM 9040 C CB . TYR D 1 17 ? -3.988 8.233 -71.660 1.00 47.16 ? 84 TYR D CB 1 ATOM 9041 C CG . TYR D 1 17 ? -3.722 8.647 -73.086 1.00 48.73 ? 84 TYR D CG 1 ATOM 9042 C CD1 . TYR D 1 17 ? -4.193 9.866 -73.566 1.00 54.41 ? 84 TYR D CD1 1 ATOM 9043 C CD2 . TYR D 1 17 ? -3.031 7.821 -73.971 1.00 46.40 ? 84 TYR D CD2 1 ATOM 9044 C CE1 . TYR D 1 17 ? -3.968 10.256 -74.889 1.00 53.57 ? 84 TYR D CE1 1 ATOM 9045 C CE2 . TYR D 1 17 ? -2.834 8.188 -75.291 1.00 52.93 ? 84 TYR D CE2 1 ATOM 9046 C CZ . TYR D 1 17 ? -3.297 9.415 -75.750 1.00 54.00 ? 84 TYR D CZ 1 ATOM 9047 O OH . TYR D 1 17 ? -3.084 9.827 -77.055 1.00 61.39 ? 84 TYR D OH 1 ATOM 9048 N N . ARG D 1 18 ? -5.130 9.397 -68.863 1.00 50.23 ? 85 ARG D N 1 ATOM 9049 C CA . ARG D 1 18 ? -5.883 8.926 -67.698 1.00 45.18 ? 85 ARG D CA 1 ATOM 9050 C C . ARG D 1 18 ? -6.589 7.637 -67.951 1.00 47.35 ? 85 ARG D C 1 ATOM 9051 O O . ARG D 1 18 ? -7.205 7.448 -69.036 1.00 50.41 ? 85 ARG D O 1 ATOM 9052 C CB . ARG D 1 18 ? -7.058 9.781 -67.457 1.00 51.08 ? 85 ARG D CB 1 ATOM 9053 C CG . ARG D 1 18 ? -6.887 11.027 -66.741 1.00 53.42 ? 85 ARG D CG 1 ATOM 9054 C CD . ARG D 1 18 ? -8.219 11.767 -66.941 1.00 53.38 ? 85 ARG D CD 1 ATOM 9055 N NE . ARG D 1 18 ? -8.468 12.613 -65.793 1.00 49.97 ? 85 ARG D NE 1 ATOM 9056 C CZ . ARG D 1 18 ? -9.234 13.669 -65.805 1.00 50.53 ? 85 ARG D CZ 1 ATOM 9057 N NH1 . ARG D 1 18 ? -9.886 14.071 -66.900 1.00 48.13 ? 85 ARG D NH1 1 ATOM 9058 N NH2 . ARG D 1 18 ? -9.340 14.340 -64.695 1.00 56.73 ? 85 ARG D NH2 1 ATOM 9059 N N . ASN D 1 19 ? -6.672 6.822 -66.894 1.00 50.36 ? 86 ASN D N 1 ATOM 9060 C CA . ASN D 1 19 ? -7.414 5.550 -66.933 1.00 51.75 ? 86 ASN D CA 1 ATOM 9061 C C . ASN D 1 19 ? -8.565 5.405 -65.954 1.00 45.39 ? 86 ASN D C 1 ATOM 9062 O O . ASN D 1 19 ? -9.381 4.500 -66.109 1.00 44.91 ? 86 ASN D O 1 ATOM 9063 C CB . ASN D 1 19 ? -6.397 4.440 -66.724 1.00 56.56 ? 86 ASN D CB 1 ATOM 9064 C CG . ASN D 1 19 ? -5.291 4.501 -67.774 1.00 66.31 ? 86 ASN D CG 1 ATOM 9065 O OD1 . ASN D 1 19 ? -4.128 4.755 -67.476 1.00 61.75 ? 86 ASN D OD1 1 ATOM 9066 N ND2 . ASN D 1 19 ? -5.663 4.250 -69.024 1.00 66.66 ? 86 ASN D ND2 1 ATOM 9067 N N . TRP D 1 20 ? -8.597 6.240 -64.921 1.00 43.34 ? 87 TRP D N 1 ATOM 9068 C CA . TRP D 1 20 ? -9.613 6.123 -63.861 1.00 43.03 ? 87 TRP D CA 1 ATOM 9069 C C . TRP D 1 20 ? -9.652 4.690 -63.264 1.00 42.83 ? 87 TRP D C 1 ATOM 9070 O O . TRP D 1 20 ? -10.733 4.160 -62.941 1.00 41.62 ? 87 TRP D O 1 ATOM 9071 C CB . TRP D 1 20 ? -10.997 6.424 -64.427 1.00 41.77 ? 87 TRP D CB 1 ATOM 9072 C CG . TRP D 1 20 ? -11.119 7.703 -65.123 1.00 46.60 ? 87 TRP D CG 1 ATOM 9073 C CD1 . TRP D 1 20 ? -11.037 7.916 -66.478 1.00 48.24 ? 87 TRP D CD1 1 ATOM 9074 C CD2 . TRP D 1 20 ? -11.374 8.975 -64.534 1.00 48.87 ? 87 TRP D CD2 1 ATOM 9075 N NE1 . TRP D 1 20 ? -11.237 9.241 -66.750 1.00 44.02 ? 87 TRP D NE1 1 ATOM 9076 C CE2 . TRP D 1 20 ? -11.444 9.916 -65.585 1.00 41.98 ? 87 TRP D CE2 1 ATOM 9077 C CE3 . TRP D 1 20 ? -11.586 9.414 -63.211 1.00 50.03 ? 87 TRP D CE3 1 ATOM 9078 C CZ2 . TRP D 1 20 ? -11.692 11.268 -65.358 1.00 43.00 ? 87 TRP D CZ2 1 ATOM 9079 C CZ3 . TRP D 1 20 ? -11.839 10.778 -62.985 1.00 42.31 ? 87 TRP D CZ3 1 ATOM 9080 C CH2 . TRP D 1 20 ? -11.890 11.680 -64.045 1.00 40.87 ? 87 TRP D CH2 1 ATOM 9081 N N . SER D 1 21 ? -8.493 4.045 -63.174 1.00 43.95 ? 88 SER D N 1 ATOM 9082 C CA . SER D 1 21 ? -8.450 2.657 -62.761 1.00 46.01 ? 88 SER D CA 1 ATOM 9083 C C . SER D 1 21 ? -8.319 2.554 -61.249 1.00 43.82 ? 88 SER D C 1 ATOM 9084 O O . SER D 1 21 ? -7.351 2.048 -60.757 1.00 46.17 ? 88 SER D O 1 ATOM 9085 C CB . SER D 1 21 ? -7.316 1.939 -63.461 1.00 43.61 ? 88 SER D CB 1 ATOM 9086 O OG . SER D 1 21 ? -6.115 2.630 -63.239 1.00 48.09 ? 88 SER D OG 1 ATOM 9087 N N . LYS D 1 22 ? -9.331 3.030 -60.548 1.00 46.76 ? 89 LYS D N 1 ATOM 9088 C CA . LYS D 1 22 ? -9.442 2.879 -59.118 1.00 51.27 ? 89 LYS D CA 1 ATOM 9089 C C . LYS D 1 22 ? -10.876 2.594 -58.796 1.00 48.93 ? 89 LYS D C 1 ATOM 9090 O O . LYS D 1 22 ? -11.753 3.001 -59.530 1.00 44.04 ? 89 LYS D O 1 ATOM 9091 C CB . LYS D 1 22 ? -9.023 4.163 -58.429 1.00 54.26 ? 89 LYS D CB 1 ATOM 9092 C CG . LYS D 1 22 ? -7.589 4.459 -58.689 1.00 54.65 ? 89 LYS D CG 1 ATOM 9093 C CD . LYS D 1 22 ? -7.132 5.747 -58.103 1.00 58.69 ? 89 LYS D CD 1 ATOM 9094 C CE . LYS D 1 22 ? -5.644 5.904 -58.429 1.00 59.02 ? 89 LYS D CE 1 ATOM 9095 N NZ . LYS D 1 22 ? -5.229 7.283 -58.141 1.00 62.79 ? 89 LYS D NZ 1 ATOM 9096 N N . PRO D 1 23 ? -11.137 1.891 -57.689 1.00 44.61 ? 90 PRO D N 1 ATOM 9097 C CA . PRO D 1 23 ? -12.529 1.761 -57.256 1.00 42.01 ? 90 PRO D CA 1 ATOM 9098 C C . PRO D 1 23 ? -13.184 3.106 -56.859 1.00 42.24 ? 90 PRO D C 1 ATOM 9099 O O . PRO D 1 23 ? -12.507 4.102 -56.587 1.00 46.24 ? 90 PRO D O 1 ATOM 9100 C CB . PRO D 1 23 ? -12.443 0.850 -56.022 1.00 43.41 ? 90 PRO D CB 1 ATOM 9101 C CG . PRO D 1 23 ? -11.062 1.085 -55.474 1.00 48.28 ? 90 PRO D CG 1 ATOM 9102 C CD . PRO D 1 23 ? -10.186 1.552 -56.618 1.00 50.65 ? 90 PRO D CD 1 ATOM 9103 N N . GLN D 1 24 ? -14.502 3.085 -56.821 1.00 41.53 ? 91 GLN D N 1 ATOM 9104 C CA . GLN D 1 24 ? -15.308 4.156 -56.361 1.00 44.16 ? 91 GLN D CA 1 ATOM 9105 C C . GLN D 1 24 ? -15.198 4.412 -54.820 1.00 41.72 ? 91 GLN D C 1 ATOM 9106 O O . GLN D 1 24 ? -15.269 3.494 -54.039 1.00 42.54 ? 91 GLN D O 1 ATOM 9107 C CB . GLN D 1 24 ? -16.739 3.821 -56.715 1.00 42.70 ? 91 GLN D CB 1 ATOM 9108 C CG . GLN D 1 24 ? -17.767 4.901 -56.353 1.00 45.93 ? 91 GLN D CG 1 ATOM 9109 C CD . GLN D 1 24 ? -19.051 4.622 -57.062 1.00 48.45 ? 91 GLN D CD 1 ATOM 9110 O OE1 . GLN D 1 24 ? -19.186 4.915 -58.268 1.00 50.87 ? 91 GLN D OE1 1 ATOM 9111 N NE2 . GLN D 1 24 ? -20.012 4.019 -56.347 1.00 48.47 ? 91 GLN D NE2 1 ATOM 9112 N N . CYS D 1 25 ? -15.059 5.671 -54.424 1.00 42.21 ? 92 CYS D N 1 ATOM 9113 C CA . CYS D 1 25 ? -15.023 6.027 -52.997 1.00 50.62 ? 92 CYS D CA 1 ATOM 9114 C C . CYS D 1 25 ? -16.346 5.671 -52.338 1.00 47.45 ? 92 CYS D C 1 ATOM 9115 O O . CYS D 1 25 ? -17.377 5.864 -52.916 1.00 45.15 ? 92 CYS D O 1 ATOM 9116 C CB . CYS D 1 25 ? -14.732 7.538 -52.754 1.00 50.64 ? 92 CYS D CB 1 ATOM 9117 S SG . CYS D 1 25 ? -13.209 8.151 -53.556 1.00 60.65 ? 92 CYS D SG 1 ATOM 9118 N N . GLN D 1 26 ? -16.285 5.128 -51.129 1.00 46.35 ? 93 GLN D N 1 ATOM 9119 C CA . GLN D 1 26 ? -17.477 4.838 -50.325 1.00 44.43 ? 93 GLN D CA 1 ATOM 9120 C C . GLN D 1 26 ? -17.848 6.111 -49.616 1.00 45.12 ? 93 GLN D C 1 ATOM 9121 O O . GLN D 1 26 ? -17.070 6.631 -48.825 1.00 46.14 ? 93 GLN D O 1 ATOM 9122 C CB . GLN D 1 26 ? -17.219 3.711 -49.292 1.00 47.16 ? 93 GLN D CB 1 ATOM 9123 C CG . GLN D 1 26 ? -16.902 2.346 -49.901 1.00 46.36 ? 93 GLN D CG 1 ATOM 9124 C CD . GLN D 1 26 ? -17.955 1.941 -50.921 1.00 48.69 ? 93 GLN D CD 1 ATOM 9125 O OE1 . GLN D 1 26 ? -19.098 1.612 -50.574 1.00 48.16 ? 93 GLN D OE1 1 ATOM 9126 N NE2 . GLN D 1 26 ? -17.592 2.010 -52.191 1.00 50.65 ? 93 GLN D NE2 1 ATOM 9127 N N . ILE D 1 27 ? -19.031 6.624 -49.922 1.00 41.83 ? 94 ILE D N 1 ATOM 9128 C CA . ILE D 1 27 ? -19.460 7.911 -49.406 1.00 43.14 ? 94 ILE D CA 1 ATOM 9129 C C . ILE D 1 27 ? -20.658 7.766 -48.480 1.00 45.90 ? 94 ILE D C 1 ATOM 9130 O O . ILE D 1 27 ? -21.386 6.785 -48.541 1.00 38.68 ? 94 ILE D O 1 ATOM 9131 C CB . ILE D 1 27 ? -19.830 8.883 -50.539 1.00 43.04 ? 94 ILE D CB 1 ATOM 9132 C CG1 . ILE D 1 27 ? -21.034 8.391 -51.312 1.00 41.53 ? 94 ILE D CG1 1 ATOM 9133 C CG2 . ILE D 1 27 ? -18.686 9.071 -51.523 1.00 42.38 ? 94 ILE D CG2 1 ATOM 9134 C CD1 . ILE D 1 27 ? -21.548 9.428 -52.232 1.00 42.95 ? 94 ILE D CD1 1 ATOM 9135 N N . THR D 1 28 ? -20.858 8.777 -47.645 1.00 43.40 ? 95 THR D N 1 ATOM 9136 C CA . THR D 1 28 ? -21.979 8.796 -46.690 1.00 42.01 ? 95 THR D CA 1 ATOM 9137 C C . THR D 1 28 ? -22.997 9.806 -47.083 1.00 39.50 ? 95 THR D C 1 ATOM 9138 O O . THR D 1 28 ? -24.024 9.973 -46.414 1.00 37.72 ? 95 THR D O 1 ATOM 9139 C CB . THR D 1 28 ? -21.461 9.187 -45.287 1.00 45.05 ? 95 THR D CB 1 ATOM 9140 O OG1 . THR D 1 28 ? -20.709 10.411 -45.363 1.00 52.90 ? 95 THR D OG1 1 ATOM 9141 C CG2 . THR D 1 28 ? -20.524 8.107 -44.785 1.00 45.95 ? 95 THR D CG2 1 ATOM 9142 N N . GLY D 1 29 ? -22.689 10.515 -48.168 1.00 37.60 ? 96 GLY D N 1 ATOM 9143 C CA . GLY D 1 29 ? -23.449 11.672 -48.600 1.00 36.20 ? 96 GLY D CA 1 ATOM 9144 C C . GLY D 1 29 ? -22.559 12.668 -49.356 1.00 36.33 ? 96 GLY D C 1 ATOM 9145 O O . GLY D 1 29 ? -21.450 12.341 -49.806 1.00 33.43 ? 96 GLY D O 1 ATOM 9146 N N . PHE D 1 30 ? -23.019 13.907 -49.407 1.00 34.93 ? 97 PHE D N 1 ATOM 9147 C CA . PHE D 1 30 ? -22.326 14.928 -50.125 1.00 35.00 ? 97 PHE D CA 1 ATOM 9148 C C . PHE D 1 30 ? -22.097 16.136 -49.291 1.00 34.81 ? 97 PHE D C 1 ATOM 9149 O O . PHE D 1 30 ? -22.928 16.523 -48.470 1.00 38.33 ? 97 PHE D O 1 ATOM 9150 C CB . PHE D 1 30 ? -23.164 15.294 -51.396 1.00 37.89 ? 97 PHE D CB 1 ATOM 9151 C CG . PHE D 1 30 ? -23.398 14.117 -52.309 1.00 35.15 ? 97 PHE D CG 1 ATOM 9152 C CD1 . PHE D 1 30 ? -22.453 13.770 -53.242 1.00 37.57 ? 97 PHE D CD1 1 ATOM 9153 C CD2 . PHE D 1 30 ? -24.462 13.280 -52.103 1.00 36.46 ? 97 PHE D CD2 1 ATOM 9154 C CE1 . PHE D 1 30 ? -22.612 12.671 -54.051 1.00 38.93 ? 97 PHE D CE1 1 ATOM 9155 C CE2 . PHE D 1 30 ? -24.667 12.191 -52.927 1.00 38.47 ? 97 PHE D CE2 1 ATOM 9156 C CZ . PHE D 1 30 ? -23.729 11.873 -53.898 1.00 37.96 ? 97 PHE D CZ 1 ATOM 9157 N N . ALA D 1 31 ? -21.007 16.827 -49.608 1.00 38.09 ? 98 ALA D N 1 ATOM 9158 C CA . ALA D 1 31 ? -20.644 18.081 -48.946 1.00 37.75 ? 98 ALA D CA 1 ATOM 9159 C C . ALA D 1 31 ? -20.522 19.241 -49.930 1.00 35.84 ? 98 ALA D C 1 ATOM 9160 O O . ALA D 1 31 ? -20.135 19.063 -51.072 1.00 35.23 ? 98 ALA D O 1 ATOM 9161 C CB . ALA D 1 31 ? -19.308 17.882 -48.204 1.00 36.64 ? 98 ALA D CB 1 ATOM 9162 N N . PRO D 1 32 ? -20.769 20.456 -49.447 1.00 38.95 ? 99 PRO D N 1 ATOM 9163 C CA . PRO D 1 32 ? -20.675 21.636 -50.281 1.00 38.07 ? 99 PRO D CA 1 ATOM 9164 C C . PRO D 1 32 ? -19.298 21.833 -50.842 1.00 40.36 ? 99 PRO D C 1 ATOM 9165 O O . PRO D 1 32 ? -18.274 21.711 -50.121 1.00 39.53 ? 99 PRO D O 1 ATOM 9166 C CB . PRO D 1 32 ? -21.021 22.759 -49.321 1.00 37.56 ? 99 PRO D CB 1 ATOM 9167 C CG . PRO D 1 32 ? -21.829 22.104 -48.245 1.00 38.90 ? 99 PRO D CG 1 ATOM 9168 C CD . PRO D 1 32 ? -21.122 20.803 -48.067 1.00 35.92 ? 99 PRO D CD 1 ATOM 9169 N N . PHE D 1 33 ? -19.264 22.171 -52.127 1.00 38.09 ? 100 PHE D N 1 ATOM 9170 C CA . PHE D 1 33 ? -17.981 22.365 -52.857 1.00 37.53 ? 100 PHE D CA 1 ATOM 9171 C C . PHE D 1 33 ? -17.873 23.739 -53.542 1.00 37.83 ? 100 PHE D C 1 ATOM 9172 O O . PHE D 1 33 ? -16.869 24.364 -53.433 1.00 44.23 ? 100 PHE D O 1 ATOM 9173 C CB . PHE D 1 33 ? -17.842 21.258 -53.868 1.00 35.95 ? 100 PHE D CB 1 ATOM 9174 C CG . PHE D 1 33 ? -16.518 21.188 -54.558 1.00 37.31 ? 100 PHE D CG 1 ATOM 9175 C CD1 . PHE D 1 33 ? -15.333 21.213 -53.851 1.00 40.40 ? 100 PHE D CD1 1 ATOM 9176 C CD2 . PHE D 1 33 ? -16.454 20.996 -55.951 1.00 36.45 ? 100 PHE D CD2 1 ATOM 9177 C CE1 . PHE D 1 33 ? -14.100 21.105 -54.521 1.00 40.85 ? 100 PHE D CE1 1 ATOM 9178 C CE2 . PHE D 1 33 ? -15.237 20.878 -56.607 1.00 38.67 ? 100 PHE D CE2 1 ATOM 9179 C CZ . PHE D 1 33 ? -14.053 20.927 -55.895 1.00 39.08 ? 100 PHE D CZ 1 ATOM 9180 N N . SER D 1 34 ? -18.884 24.195 -54.297 1.00 37.42 ? 101 SER D N 1 ATOM 9181 C CA . SER D 1 34 ? -18.744 25.447 -55.013 1.00 34.33 ? 101 SER D CA 1 ATOM 9182 C C . SER D 1 34 ? -20.083 26.038 -55.316 1.00 30.65 ? 101 SER D C 1 ATOM 9183 O O . SER D 1 34 ? -21.071 25.337 -55.443 1.00 33.36 ? 101 SER D O 1 ATOM 9184 C CB . SER D 1 34 ? -17.935 25.226 -56.348 1.00 34.67 ? 101 SER D CB 1 ATOM 9185 O OG . SER D 1 34 ? -17.544 26.437 -56.967 1.00 36.43 ? 101 SER D OG 1 ATOM 9186 N N . LYS D 1 35 ? -20.086 27.329 -55.527 1.00 31.54 ? 102 LYS D N 1 ATOM 9187 C CA . LYS D 1 35 ? -21.295 28.066 -55.885 1.00 35.70 ? 102 LYS D CA 1 ATOM 9188 C C . LYS D 1 35 ? -20.860 29.306 -56.654 1.00 36.57 ? 102 LYS D C 1 ATOM 9189 O O . LYS D 1 35 ? -19.926 29.955 -56.265 1.00 38.11 ? 102 LYS D O 1 ATOM 9190 C CB . LYS D 1 35 ? -22.010 28.518 -54.615 1.00 36.51 ? 102 LYS D CB 1 ATOM 9191 C CG . LYS D 1 35 ? -23.415 29.038 -54.820 1.00 34.68 ? 102 LYS D CG 1 ATOM 9192 C CD . LYS D 1 35 ? -24.089 29.415 -53.495 1.00 36.29 ? 102 LYS D CD 1 ATOM 9193 C CE . LYS D 1 35 ? -25.560 29.646 -53.715 1.00 39.22 ? 102 LYS D CE 1 ATOM 9194 N NZ . LYS D 1 35 ? -25.874 30.810 -54.624 1.00 43.00 ? 102 LYS D NZ 1 ATOM 9195 N N . ASP D 1 36 ? -21.515 29.662 -57.741 1.00 39.43 ? 103 ASP D N 1 ATOM 9196 C CA . ASP D 1 36 ? -20.995 30.798 -58.492 1.00 40.48 ? 103 ASP D CA 1 ATOM 9197 C C . ASP D 1 36 ? -21.725 32.134 -58.372 1.00 39.29 ? 103 ASP D C 1 ATOM 9198 O O . ASP D 1 36 ? -21.124 33.161 -58.706 1.00 38.60 ? 103 ASP D O 1 ATOM 9199 C CB . ASP D 1 36 ? -20.711 30.432 -59.943 1.00 51.16 ? 103 ASP D CB 1 ATOM 9200 C CG . ASP D 1 36 ? -21.954 30.332 -60.748 1.00 57.17 ? 103 ASP D CG 1 ATOM 9201 O OD1 . ASP D 1 36 ? -23.043 30.354 -60.087 1.00 51.76 ? 103 ASP D OD1 1 ATOM 9202 O OD2 . ASP D 1 36 ? -21.817 30.266 -62.020 1.00 56.56 ? 103 ASP D OD2 1 ATOM 9203 N N . ASN D 1 37 ? -22.949 32.156 -57.862 1.00 34.33 ? 104 ASN D N 1 ATOM 9204 C CA . ASN D 1 37 ? -23.644 33.398 -57.636 1.00 32.83 ? 104 ASN D CA 1 ATOM 9205 C C . ASN D 1 37 ? -23.847 34.295 -58.885 1.00 36.47 ? 104 ASN D C 1 ATOM 9206 O O . ASN D 1 37 ? -24.018 35.514 -58.759 1.00 38.02 ? 104 ASN D O 1 ATOM 9207 C CB . ASN D 1 37 ? -22.970 34.188 -56.542 1.00 33.95 ? 104 ASN D CB 1 ATOM 9208 C CG . ASN D 1 37 ? -23.098 33.534 -55.178 1.00 38.69 ? 104 ASN D CG 1 ATOM 9209 O OD1 . ASN D 1 37 ? -24.197 33.254 -54.702 1.00 46.04 ? 104 ASN D OD1 1 ATOM 9210 N ND2 . ASN D 1 37 ? -21.975 33.311 -54.530 1.00 38.16 ? 104 ASN D ND2 1 ATOM 9211 N N . SER D 1 38 ? -23.888 33.689 -60.073 1.00 39.16 ? 105 SER D N 1 ATOM 9212 C CA . SER D 1 38 ? -23.967 34.459 -61.334 1.00 42.93 ? 105 SER D CA 1 ATOM 9213 C C . SER D 1 38 ? -25.083 35.457 -61.464 1.00 38.43 ? 105 SER D C 1 ATOM 9214 O O . SER D 1 38 ? -24.872 36.538 -61.998 1.00 42.61 ? 105 SER D O 1 ATOM 9215 C CB . SER D 1 38 ? -24.167 33.534 -62.538 1.00 47.23 ? 105 SER D CB 1 ATOM 9216 O OG . SER D 1 38 ? -23.202 32.524 -62.476 1.00 52.35 ? 105 SER D OG 1 ATOM 9217 N N . ILE D 1 39 ? -26.275 35.077 -61.018 1.00 35.76 ? 106 ILE D N 1 ATOM 9218 C CA . ILE D 1 39 ? -27.446 35.945 -61.194 1.00 35.32 ? 106 ILE D CA 1 ATOM 9219 C C . ILE D 1 39 ? -27.396 37.123 -60.226 1.00 33.42 ? 106 ILE D C 1 ATOM 9220 O O . ILE D 1 39 ? -27.607 38.296 -60.634 1.00 34.08 ? 106 ILE D O 1 ATOM 9221 C CB . ILE D 1 39 ? -28.774 35.198 -61.057 1.00 36.68 ? 106 ILE D CB 1 ATOM 9222 C CG1 . ILE D 1 39 ? -28.830 33.984 -61.969 1.00 37.69 ? 106 ILE D CG1 1 ATOM 9223 C CG2 . ILE D 1 39 ? -29.954 36.111 -61.416 1.00 38.16 ? 106 ILE D CG2 1 ATOM 9224 C CD1 . ILE D 1 39 ? -28.508 34.292 -63.429 1.00 42.25 ? 106 ILE D CD1 1 ATOM 9225 N N . ARG D 1 40 ? -27.043 36.849 -58.972 1.00 36.90 ? 107 ARG D N 1 ATOM 9226 C CA . ARG D 1 40 ? -26.802 37.932 -58.006 1.00 36.19 ? 107 ARG D CA 1 ATOM 9227 C C . ARG D 1 40 ? -25.773 38.907 -58.518 1.00 34.42 ? 107 ARG D C 1 ATOM 9228 O O . ARG D 1 40 ? -25.971 40.125 -58.485 1.00 39.95 ? 107 ARG D O 1 ATOM 9229 C CB . ARG D 1 40 ? -26.413 37.362 -56.657 1.00 41.56 ? 107 ARG D CB 1 ATOM 9230 C CG . ARG D 1 40 ? -27.590 36.779 -55.888 1.00 38.84 ? 107 ARG D CG 1 ATOM 9231 C CD . ARG D 1 40 ? -27.122 35.984 -54.702 1.00 42.53 ? 107 ARG D CD 1 ATOM 9232 N NE . ARG D 1 40 ? -26.445 36.852 -53.733 1.00 43.98 ? 107 ARG D NE 1 ATOM 9233 C CZ . ARG D 1 40 ? -27.041 37.465 -52.710 1.00 42.59 ? 107 ARG D CZ 1 ATOM 9234 N NH1 . ARG D 1 40 ? -26.332 38.181 -51.886 1.00 43.21 ? 107 ARG D NH1 1 ATOM 9235 N NH2 . ARG D 1 40 ? -28.334 37.320 -52.506 1.00 39.08 ? 107 ARG D NH2 1 ATOM 9236 N N . LEU D 1 41 ? -24.694 38.390 -59.078 1.00 35.59 ? 108 LEU D N 1 ATOM 9237 C CA . LEU D 1 41 ? -23.672 39.281 -59.677 1.00 37.90 ? 108 LEU D CA 1 ATOM 9238 C C . LEU D 1 41 ? -24.087 40.036 -60.947 1.00 38.29 ? 108 LEU D C 1 ATOM 9239 O O . LEU D 1 41 ? -23.676 41.162 -61.165 1.00 41.01 ? 108 LEU D O 1 ATOM 9240 C CB . LEU D 1 41 ? -22.400 38.494 -59.941 1.00 38.18 ? 108 LEU D CB 1 ATOM 9241 C CG . LEU D 1 41 ? -21.732 37.899 -58.720 1.00 43.53 ? 108 LEU D CG 1 ATOM 9242 C CD1 . LEU D 1 41 ? -20.692 36.869 -59.149 1.00 47.21 ? 108 LEU D CD1 1 ATOM 9243 C CD2 . LEU D 1 41 ? -21.062 38.948 -57.855 1.00 41.50 ? 108 LEU D CD2 1 ATOM 9244 N N . SER D 1 42 ? -24.933 39.410 -61.761 1.00 39.58 ? 109 SER D N 1 ATOM 9245 C CA . SER D 1 42 ? -25.498 40.020 -62.973 1.00 37.65 ? 109 SER D CA 1 ATOM 9246 C C . SER D 1 42 ? -26.234 41.324 -62.763 1.00 38.49 ? 109 SER D C 1 ATOM 9247 O O . SER D 1 42 ? -26.321 42.143 -63.666 1.00 44.23 ? 109 SER D O 1 ATOM 9248 C CB . SER D 1 42 ? -26.407 39.029 -63.645 1.00 39.89 ? 109 SER D CB 1 ATOM 9249 O OG . SER D 1 42 ? -25.672 37.899 -64.151 1.00 44.95 ? 109 SER D OG 1 ATOM 9250 N N . ALA D 1 43 ? -26.755 41.520 -61.560 1.00 44.55 ? 110 ALA D N 1 ATOM 9251 C CA . ALA D 1 43 ? -27.425 42.746 -61.177 1.00 45.00 ? 110 ALA D CA 1 ATOM 9252 C C . ALA D 1 43 ? -26.503 43.919 -60.840 1.00 48.48 ? 110 ALA D C 1 ATOM 9253 O O . ALA D 1 43 ? -26.979 44.991 -60.495 1.00 44.36 ? 110 ALA D O 1 ATOM 9254 C CB . ALA D 1 43 ? -28.318 42.465 -59.976 1.00 49.61 ? 110 ALA D CB 1 ATOM 9255 N N . GLY D 1 44 ? -25.198 43.711 -60.890 1.00 49.18 ? 111 GLY D N 1 ATOM 9256 C CA . GLY D 1 44 ? -24.260 44.800 -60.729 1.00 56.03 ? 111 GLY D CA 1 ATOM 9257 C C . GLY D 1 44 ? -22.926 44.442 -61.340 1.00 57.60 ? 111 GLY D C 1 ATOM 9258 O O . GLY D 1 44 ? -21.869 44.460 -60.670 1.00 69.18 ? 111 GLY D O 1 ATOM 9259 N N . GLY D 1 45 ? -22.981 44.116 -62.610 1.00 49.08 ? 112 GLY D N 1 ATOM 9260 C CA . GLY D 1 45 ? -21.803 43.708 -63.349 1.00 47.15 ? 112 GLY D CA 1 ATOM 9261 C C . GLY D 1 45 ? -22.191 43.037 -64.659 1.00 45.13 ? 112 GLY D C 1 ATOM 9262 O O . GLY D 1 45 ? -23.334 42.615 -64.837 1.00 47.59 ? 112 GLY D O 1 ATOM 9263 N N . ASP D 1 46 ? -21.200 42.919 -65.543 1.00 43.81 ? 113 ASP D N 1 ATOM 9264 C CA . ASP D 1 46 ? -21.328 42.331 -66.860 1.00 42.00 ? 113 ASP D CA 1 ATOM 9265 C C . ASP D 1 46 ? -20.997 40.830 -66.809 1.00 40.07 ? 113 ASP D C 1 ATOM 9266 O O . ASP D 1 46 ? -19.860 40.447 -66.723 1.00 44.61 ? 113 ASP D O 1 ATOM 9267 C CB . ASP D 1 46 ? -20.434 43.069 -67.867 1.00 45.28 ? 113 ASP D CB 1 ATOM 9268 C CG . ASP D 1 46 ? -20.651 44.587 -67.832 1.00 50.54 ? 113 ASP D CG 1 ATOM 9269 O OD1 . ASP D 1 46 ? -21.792 45.043 -68.000 1.00 52.91 ? 113 ASP D OD1 1 ATOM 9270 O OD2 . ASP D 1 46 ? -19.674 45.328 -67.638 1.00 65.71 ? 113 ASP D OD2 1 ATOM 9271 N N . ILE D 1 47 ? -22.056 40.025 -66.844 1.00 39.19 ? 114 ILE D N 1 ATOM 9272 C CA . ILE D 1 47 ? -22.028 38.595 -66.678 1.00 35.40 ? 114 ILE D CA 1 ATOM 9273 C C . ILE D 1 47 ? -22.828 37.944 -67.823 1.00 35.79 ? 114 ILE D C 1 ATOM 9274 O O . ILE D 1 47 ? -23.856 38.444 -68.222 1.00 39.01 ? 114 ILE D O 1 ATOM 9275 C CB . ILE D 1 47 ? -22.678 38.181 -65.335 1.00 37.21 ? 114 ILE D CB 1 ATOM 9276 C CG1 . ILE D 1 47 ? -21.961 38.780 -64.119 1.00 39.15 ? 114 ILE D CG1 1 ATOM 9277 C CG2 . ILE D 1 47 ? -22.760 36.691 -65.242 1.00 35.15 ? 114 ILE D CG2 1 ATOM 9278 C CD1 . ILE D 1 47 ? -20.539 38.267 -63.924 1.00 40.07 ? 114 ILE D CD1 1 ATOM 9279 N N . TRP D 1 48 ? -22.289 36.855 -68.373 1.00 35.37 ? 115 TRP D N 1 ATOM 9280 C CA . TRP D 1 48 ? -22.869 36.160 -69.506 1.00 34.04 ? 115 TRP D CA 1 ATOM 9281 C C . TRP D 1 48 ? -24.220 35.595 -69.139 1.00 37.73 ? 115 TRP D C 1 ATOM 9282 O O . TRP D 1 48 ? -24.396 35.135 -68.026 1.00 29.95 ? 115 TRP D O 1 ATOM 9283 C CB . TRP D 1 48 ? -21.988 34.974 -69.906 1.00 34.57 ? 115 TRP D CB 1 ATOM 9284 C CG . TRP D 1 48 ? -20.867 35.323 -70.819 1.00 34.69 ? 115 TRP D CG 1 ATOM 9285 C CD1 . TRP D 1 48 ? -19.649 35.778 -70.451 1.00 33.46 ? 115 TRP D CD1 1 ATOM 9286 C CD2 . TRP D 1 48 ? -20.869 35.293 -72.256 1.00 32.44 ? 115 TRP D CD2 1 ATOM 9287 N NE1 . TRP D 1 48 ? -18.878 35.996 -71.554 1.00 34.99 ? 115 TRP D NE1 1 ATOM 9288 C CE2 . TRP D 1 48 ? -19.597 35.711 -72.680 1.00 33.66 ? 115 TRP D CE2 1 ATOM 9289 C CE3 . TRP D 1 48 ? -21.802 34.912 -73.218 1.00 34.17 ? 115 TRP D CE3 1 ATOM 9290 C CZ2 . TRP D 1 48 ? -19.233 35.751 -74.008 1.00 33.48 ? 115 TRP D CZ2 1 ATOM 9291 C CZ3 . TRP D 1 48 ? -21.429 34.971 -74.583 1.00 29.70 ? 115 TRP D CZ3 1 ATOM 9292 C CH2 . TRP D 1 48 ? -20.191 35.387 -74.951 1.00 31.87 ? 115 TRP D CH2 1 ATOM 9293 N N . VAL D 1 49 ? -25.146 35.622 -70.099 1.00 36.64 ? 116 VAL D N 1 ATOM 9294 C CA . VAL D 1 49 ? -26.349 34.848 -70.024 1.00 34.86 ? 116 VAL D CA 1 ATOM 9295 C C . VAL D 1 49 ? -26.016 33.437 -70.516 1.00 39.06 ? 116 VAL D C 1 ATOM 9296 O O . VAL D 1 49 ? -25.370 33.276 -71.566 1.00 35.74 ? 116 VAL D O 1 ATOM 9297 C CB . VAL D 1 49 ? -27.458 35.422 -70.927 1.00 37.17 ? 116 VAL D CB 1 ATOM 9298 C CG1 . VAL D 1 49 ? -28.623 34.469 -71.051 1.00 36.11 ? 116 VAL D CG1 1 ATOM 9299 C CG2 . VAL D 1 49 ? -27.923 36.761 -70.385 1.00 38.16 ? 116 VAL D CG2 1 ATOM 9300 N N . THR D 1 50 ? -26.462 32.431 -69.752 1.00 35.89 ? 117 THR D N 1 ATOM 9301 C CA . THR D 1 50 ? -26.145 31.043 -70.040 1.00 35.57 ? 117 THR D CA 1 ATOM 9302 C C . THR D 1 50 ? -27.295 30.082 -69.731 1.00 35.44 ? 117 THR D C 1 ATOM 9303 O O . THR D 1 50 ? -28.293 30.434 -69.115 1.00 37.04 ? 117 THR D O 1 ATOM 9304 C CB . THR D 1 50 ? -24.962 30.539 -69.133 1.00 38.55 ? 117 THR D CB 1 ATOM 9305 O OG1 . THR D 1 50 ? -25.346 30.546 -67.786 1.00 37.11 ? 117 THR D OG1 1 ATOM 9306 C CG2 . THR D 1 50 ? -23.746 31.386 -69.230 1.00 41.41 ? 117 THR D CG2 1 ATOM 9307 N N . ARG D 1 51 ? -27.081 28.850 -70.132 1.00 36.16 ? 118 ARG D N 1 ATOM 9308 C CA . ARG D 1 51 ? -27.820 27.690 -69.664 1.00 34.77 ? 118 ARG D CA 1 ATOM 9309 C C . ARG D 1 51 ? -27.044 26.411 -69.997 1.00 35.25 ? 118 ARG D C 1 ATOM 9310 O O . ARG D 1 51 ? -25.986 26.440 -70.665 1.00 35.58 ? 118 ARG D O 1 ATOM 9311 C CB . ARG D 1 51 ? -29.211 27.612 -70.273 1.00 41.99 ? 118 ARG D CB 1 ATOM 9312 C CG . ARG D 1 51 ? -30.298 28.161 -69.371 1.00 38.93 ? 118 ARG D CG 1 ATOM 9313 C CD . ARG D 1 51 ? -31.621 27.405 -69.518 1.00 36.45 ? 118 ARG D CD 1 ATOM 9314 N NE . ARG D 1 51 ? -31.469 26.053 -69.011 1.00 39.13 ? 118 ARG D NE 1 ATOM 9315 C CZ . ARG D 1 51 ? -32.151 24.998 -69.405 1.00 36.91 ? 118 ARG D CZ 1 ATOM 9316 N NH1 . ARG D 1 51 ? -33.099 25.104 -70.314 1.00 37.72 ? 118 ARG D NH1 1 ATOM 9317 N NH2 . ARG D 1 51 ? -31.855 23.827 -68.915 1.00 38.22 ? 118 ARG D NH2 1 ATOM 9318 N N . GLU D 1 52 ? -27.540 25.299 -69.466 1.00 36.80 ? 119 GLU D N 1 ATOM 9319 C CA . GLU D 1 52 ? -26.945 24.008 -69.706 1.00 37.75 ? 119 GLU D CA 1 ATOM 9320 C C . GLU D 1 52 ? -25.481 23.991 -69.231 1.00 39.51 ? 119 GLU D C 1 ATOM 9321 O O . GLU D 1 52 ? -24.587 23.600 -69.967 1.00 35.08 ? 119 GLU D O 1 ATOM 9322 C CB . GLU D 1 52 ? -27.034 23.616 -71.188 1.00 41.71 ? 119 GLU D CB 1 ATOM 9323 C CG . GLU D 1 52 ? -28.462 23.395 -71.734 1.00 44.23 ? 119 GLU D CG 1 ATOM 9324 C CD . GLU D 1 52 ? -29.153 24.657 -72.278 1.00 48.04 ? 119 GLU D CD 1 ATOM 9325 O OE1 . GLU D 1 52 ? -28.480 25.580 -72.793 1.00 53.03 ? 119 GLU D OE1 1 ATOM 9326 O OE2 . GLU D 1 52 ? -30.404 24.712 -72.236 1.00 52.98 ? 119 GLU D OE2 1 ATOM 9327 N N . PRO D 1 53 ? -25.258 24.353 -67.960 1.00 35.24 ? 120 PRO D N 1 ATOM 9328 C CA . PRO D 1 53 ? -23.907 24.270 -67.451 1.00 36.81 ? 120 PRO D CA 1 ATOM 9329 C C . PRO D 1 53 ? -23.477 22.883 -67.073 1.00 37.47 ? 120 PRO D C 1 ATOM 9330 O O . PRO D 1 53 ? -24.312 21.975 -66.896 1.00 37.80 ? 120 PRO D O 1 ATOM 9331 C CB . PRO D 1 53 ? -23.988 25.086 -66.157 1.00 33.61 ? 120 PRO D CB 1 ATOM 9332 C CG . PRO D 1 53 ? -25.322 24.746 -65.627 1.00 33.39 ? 120 PRO D CG 1 ATOM 9333 C CD . PRO D 1 53 ? -26.212 24.637 -66.874 1.00 33.28 ? 120 PRO D CD 1 ATOM 9334 N N . TYR D 1 54 ? -22.171 22.728 -66.921 1.00 36.37 ? 121 TYR D N 1 ATOM 9335 C CA . TYR D 1 54 ? -21.624 21.486 -66.344 1.00 34.81 ? 121 TYR D CA 1 ATOM 9336 C C . TYR D 1 54 ? -20.217 21.700 -65.835 1.00 32.06 ? 121 TYR D C 1 ATOM 9337 O O . TYR D 1 54 ? -19.676 22.826 -65.888 1.00 35.28 ? 121 TYR D O 1 ATOM 9338 C CB . TYR D 1 54 ? -21.678 20.352 -67.311 1.00 33.23 ? 121 TYR D CB 1 ATOM 9339 C CG . TYR D 1 54 ? -20.926 20.576 -68.646 1.00 31.57 ? 121 TYR D CG 1 ATOM 9340 C CD1 . TYR D 1 54 ? -21.617 21.055 -69.754 1.00 34.79 ? 121 TYR D CD1 1 ATOM 9341 C CD2 . TYR D 1 54 ? -19.646 20.161 -68.827 1.00 28.38 ? 121 TYR D CD2 1 ATOM 9342 C CE1 . TYR D 1 54 ? -21.014 21.208 -70.992 1.00 31.77 ? 121 TYR D CE1 1 ATOM 9343 C CE2 . TYR D 1 54 ? -19.006 20.296 -70.073 1.00 31.23 ? 121 TYR D CE2 1 ATOM 9344 C CZ . TYR D 1 54 ? -19.709 20.840 -71.149 1.00 33.49 ? 121 TYR D CZ 1 ATOM 9345 O OH . TYR D 1 54 ? -19.156 21.020 -72.376 1.00 34.82 ? 121 TYR D OH 1 ATOM 9346 N N . VAL D 1 55 ? -19.660 20.674 -65.236 1.00 32.61 ? 122 VAL D N 1 ATOM 9347 C CA . VAL D 1 55 ? -18.365 20.772 -64.577 1.00 31.37 ? 122 VAL D CA 1 ATOM 9348 C C . VAL D 1 55 ? -17.524 19.579 -65.060 1.00 31.68 ? 122 VAL D C 1 ATOM 9349 O O . VAL D 1 55 ? -18.033 18.510 -65.250 1.00 32.02 ? 122 VAL D O 1 ATOM 9350 C CB . VAL D 1 55 ? -18.530 20.789 -63.047 1.00 34.30 ? 122 VAL D CB 1 ATOM 9351 C CG1 . VAL D 1 55 ? -17.174 20.760 -62.340 1.00 35.53 ? 122 VAL D CG1 1 ATOM 9352 C CG2 . VAL D 1 55 ? -19.331 21.996 -62.569 1.00 34.62 ? 122 VAL D CG2 1 ATOM 9353 N N . SER D 1 56 ? -16.243 19.801 -65.267 1.00 33.87 ? 123 SER D N 1 ATOM 9354 C CA . SER D 1 56 ? -15.300 18.752 -65.643 1.00 41.34 ? 123 SER D CA 1 ATOM 9355 C C . SER D 1 56 ? -13.885 19.173 -65.179 1.00 41.92 ? 123 SER D C 1 ATOM 9356 O O . SER D 1 56 ? -13.593 20.332 -65.175 1.00 50.07 ? 123 SER D O 1 ATOM 9357 C CB . SER D 1 56 ? -15.341 18.452 -67.147 1.00 38.25 ? 123 SER D CB 1 ATOM 9358 O OG . SER D 1 56 ? -14.569 17.301 -67.463 1.00 41.60 ? 123 SER D OG 1 ATOM 9359 N N . CYS D 1 57 ? -13.083 18.219 -64.723 1.00 42.20 ? 124 CYS D N 1 ATOM 9360 C CA . CYS D 1 57 ? -11.742 18.465 -64.180 1.00 45.64 ? 124 CYS D CA 1 ATOM 9361 C C . CYS D 1 57 ? -10.681 17.800 -65.055 1.00 43.31 ? 124 CYS D C 1 ATOM 9362 O O . CYS D 1 57 ? -10.840 16.682 -65.473 1.00 45.80 ? 124 CYS D O 1 ATOM 9363 C CB . CYS D 1 57 ? -11.638 17.936 -62.727 1.00 48.12 ? 124 CYS D CB 1 ATOM 9364 S SG . CYS D 1 57 ? -12.985 18.579 -61.644 1.00 55.24 ? 124 CYS D SG 1 ATOM 9365 N N . SER D 1 58 ? -9.646 18.535 -65.414 1.00 40.90 ? 125 SER D N 1 ATOM 9366 C CA . SER D 1 58 ? -8.400 17.957 -65.882 1.00 44.84 ? 125 SER D CA 1 ATOM 9367 C C . SER D 1 58 ? -7.709 17.364 -64.642 1.00 46.30 ? 125 SER D C 1 ATOM 9368 O O . SER D 1 58 ? -8.201 17.505 -63.526 1.00 42.08 ? 125 SER D O 1 ATOM 9369 C CB . SER D 1 58 ? -7.528 19.042 -66.486 1.00 46.98 ? 125 SER D CB 1 ATOM 9370 O OG . SER D 1 58 ? -7.223 20.001 -65.502 1.00 45.98 ? 125 SER D OG 1 ATOM 9371 N N . PRO D 1 59 ? -6.565 16.724 -64.823 1.00 46.04 ? 126 PRO D N 1 ATOM 9372 C CA . PRO D 1 59 ? -5.826 16.230 -63.624 1.00 50.20 ? 126 PRO D CA 1 ATOM 9373 C C . PRO D 1 59 ? -5.331 17.361 -62.731 1.00 48.62 ? 126 PRO D C 1 ATOM 9374 O O . PRO D 1 59 ? -5.270 17.186 -61.549 1.00 48.30 ? 126 PRO D O 1 ATOM 9375 C CB . PRO D 1 59 ? -4.624 15.469 -64.225 1.00 46.85 ? 126 PRO D CB 1 ATOM 9376 C CG . PRO D 1 59 ? -5.094 15.087 -65.590 1.00 49.24 ? 126 PRO D CG 1 ATOM 9377 C CD . PRO D 1 59 ? -5.966 16.234 -66.072 1.00 48.64 ? 126 PRO D CD 1 ATOM 9378 N N . GLY D 1 60 ? -5.059 18.532 -63.317 1.00 52.66 ? 127 GLY D N 1 ATOM 9379 C CA . GLY D 1 60 ? -4.617 19.709 -62.558 1.00 53.68 ? 127 GLY D CA 1 ATOM 9380 C C . GLY D 1 60 ? -5.701 20.608 -61.962 1.00 56.61 ? 127 GLY D C 1 ATOM 9381 O O . GLY D 1 60 ? -5.510 21.152 -60.892 1.00 56.50 ? 127 GLY D O 1 ATOM 9382 N N . LYS D 1 61 ? -6.816 20.798 -62.665 1.00 60.13 ? 128 LYS D N 1 ATOM 9383 C CA . LYS D 1 61 ? -7.934 21.559 -62.097 1.00 55.44 ? 128 LYS D CA 1 ATOM 9384 C C . LYS D 1 61 ? -9.330 21.404 -62.701 1.00 49.68 ? 128 LYS D C 1 ATOM 9385 O O . LYS D 1 61 ? -9.519 20.803 -63.761 1.00 56.15 ? 128 LYS D O 1 ATOM 9386 C CB . LYS D 1 61 ? -7.581 23.016 -62.075 1.00 62.65 ? 128 LYS D CB 1 ATOM 9387 C CG . LYS D 1 61 ? -7.683 23.722 -63.389 1.00 68.46 ? 128 LYS D CG 1 ATOM 9388 C CD . LYS D 1 61 ? -6.781 24.953 -63.391 1.00 77.76 ? 128 LYS D CD 1 ATOM 9389 C CE . LYS D 1 61 ? -6.566 25.569 -62.015 1.00 76.30 ? 128 LYS D CE 1 ATOM 9390 N NZ . LYS D 1 61 ? -5.505 26.603 -62.105 1.00 83.13 ? 128 LYS D NZ 1 ATOM 9391 N N . CYS D 1 62 ? -10.291 21.953 -61.970 1.00 45.41 ? 129 CYS D N 1 ATOM 9392 C CA . CYS D 1 62 ? -11.685 21.918 -62.305 1.00 46.30 ? 129 CYS D CA 1 ATOM 9393 C C . CYS D 1 62 ? -12.181 23.138 -63.034 1.00 41.79 ? 129 CYS D C 1 ATOM 9394 O O . CYS D 1 62 ? -11.785 24.236 -62.731 1.00 34.49 ? 129 CYS D O 1 ATOM 9395 C CB . CYS D 1 62 ? -12.545 21.696 -61.061 1.00 51.54 ? 129 CYS D CB 1 ATOM 9396 S SG . CYS D 1 62 ? -12.214 20.066 -60.320 1.00 59.43 ? 129 CYS D SG 1 ATOM 9397 N N . TYR D 1 63 ? -13.095 22.913 -63.997 1.00 35.78 ? 130 TYR D N 1 ATOM 9398 C CA . TYR D 1 63 ? -13.651 24.000 -64.791 1.00 35.68 ? 130 TYR D CA 1 ATOM 9399 C C . TYR D 1 63 ? -15.156 23.940 -64.785 1.00 34.76 ? 130 TYR D C 1 ATOM 9400 O O . TYR D 1 63 ? -15.729 22.845 -64.700 1.00 33.87 ? 130 TYR D O 1 ATOM 9401 C CB . TYR D 1 63 ? -13.146 23.925 -66.219 1.00 35.29 ? 130 TYR D CB 1 ATOM 9402 C CG . TYR D 1 63 ? -11.693 24.153 -66.332 1.00 36.09 ? 130 TYR D CG 1 ATOM 9403 C CD1 . TYR D 1 63 ? -10.815 23.154 -66.100 1.00 39.04 ? 130 TYR D CD1 1 ATOM 9404 C CD2 . TYR D 1 63 ? -11.197 25.408 -66.710 1.00 44.35 ? 130 TYR D CD2 1 ATOM 9405 C CE1 . TYR D 1 63 ? -9.451 23.351 -66.262 1.00 44.68 ? 130 TYR D CE1 1 ATOM 9406 C CE2 . TYR D 1 63 ? -9.850 25.622 -66.857 1.00 40.92 ? 130 TYR D CE2 1 ATOM 9407 C CZ . TYR D 1 63 ? -8.989 24.586 -66.606 1.00 43.66 ? 130 TYR D CZ 1 ATOM 9408 O OH . TYR D 1 63 ? -7.658 24.772 -66.734 1.00 46.09 ? 130 TYR D OH 1 ATOM 9409 N N . GLN D 1 64 ? -15.788 25.106 -64.859 1.00 32.91 ? 131 GLN D N 1 ATOM 9410 C CA . GLN D 1 64 ? -17.204 25.169 -65.152 1.00 36.18 ? 131 GLN D CA 1 ATOM 9411 C C . GLN D 1 64 ? -17.421 25.572 -66.598 1.00 36.24 ? 131 GLN D C 1 ATOM 9412 O O . GLN D 1 64 ? -16.710 26.379 -67.149 1.00 37.78 ? 131 GLN D O 1 ATOM 9413 C CB . GLN D 1 64 ? -17.980 26.070 -64.189 1.00 40.24 ? 131 GLN D CB 1 ATOM 9414 C CG . GLN D 1 64 ? -17.522 27.504 -64.108 1.00 48.33 ? 131 GLN D CG 1 ATOM 9415 C CD . GLN D 1 64 ? -18.213 28.271 -62.981 1.00 47.54 ? 131 GLN D CD 1 ATOM 9416 O OE1 . GLN D 1 64 ? -17.829 28.175 -61.802 1.00 49.15 ? 131 GLN D OE1 1 ATOM 9417 N NE2 . GLN D 1 64 ? -19.174 29.098 -63.349 1.00 53.33 ? 131 GLN D NE2 1 ATOM 9418 N N . PHE D 1 65 ? -18.429 24.976 -67.207 1.00 37.81 ? 132 PHE D N 1 ATOM 9419 C CA . PHE D 1 65 ? -18.764 25.211 -68.595 1.00 32.53 ? 132 PHE D CA 1 ATOM 9420 C C . PHE D 1 65 ? -20.209 25.623 -68.672 1.00 37.00 ? 132 PHE D C 1 ATOM 9421 O O . PHE D 1 65 ? -21.035 25.241 -67.820 1.00 34.12 ? 132 PHE D O 1 ATOM 9422 C CB . PHE D 1 65 ? -18.661 23.918 -69.408 1.00 31.91 ? 132 PHE D CB 1 ATOM 9423 C CG . PHE D 1 65 ? -17.274 23.372 -69.520 1.00 34.37 ? 132 PHE D CG 1 ATOM 9424 C CD1 . PHE D 1 65 ? -16.742 22.579 -68.502 1.00 37.84 ? 132 PHE D CD1 1 ATOM 9425 C CD2 . PHE D 1 65 ? -16.499 23.629 -70.641 1.00 33.49 ? 132 PHE D CD2 1 ATOM 9426 C CE1 . PHE D 1 65 ? -15.453 22.086 -68.602 1.00 36.68 ? 132 PHE D CE1 1 ATOM 9427 C CE2 . PHE D 1 65 ? -15.217 23.130 -70.745 1.00 37.13 ? 132 PHE D CE2 1 ATOM 9428 C CZ . PHE D 1 65 ? -14.701 22.336 -69.744 1.00 36.08 ? 132 PHE D CZ 1 ATOM 9429 N N . ALA D 1 66 ? -20.553 26.284 -69.758 1.00 34.65 ? 133 ALA D N 1 ATOM 9430 C CA . ALA D 1 66 ? -21.965 26.476 -70.056 1.00 36.10 ? 133 ALA D CA 1 ATOM 9431 C C . ALA D 1 66 ? -22.152 26.965 -71.502 1.00 34.57 ? 133 ALA D C 1 ATOM 9432 O O . ALA D 1 66 ? -21.230 27.450 -72.109 1.00 36.74 ? 133 ALA D O 1 ATOM 9433 C CB . ALA D 1 66 ? -22.543 27.507 -69.100 1.00 32.04 ? 133 ALA D CB 1 ATOM 9434 N N . LEU D 1 67 ? -23.377 26.938 -71.977 1.00 34.50 ? 134 LEU D N 1 ATOM 9435 C CA . LEU D 1 67 ? -23.680 27.475 -73.297 1.00 35.19 ? 134 LEU D CA 1 ATOM 9436 C C . LEU D 1 67 ? -24.129 28.905 -73.174 1.00 35.77 ? 134 LEU D C 1 ATOM 9437 O O . LEU D 1 67 ? -25.193 29.200 -72.607 1.00 36.36 ? 134 LEU D O 1 ATOM 9438 C CB . LEU D 1 67 ? -24.769 26.675 -73.978 1.00 33.06 ? 134 LEU D CB 1 ATOM 9439 C CG . LEU D 1 67 ? -24.454 25.184 -74.183 1.00 37.42 ? 134 LEU D CG 1 ATOM 9440 C CD1 . LEU D 1 67 ? -25.629 24.420 -74.790 1.00 38.51 ? 134 LEU D CD1 1 ATOM 9441 C CD2 . LEU D 1 67 ? -23.249 24.988 -75.085 1.00 37.78 ? 134 LEU D CD2 1 ATOM 9442 N N . GLY D 1 68 ? -23.300 29.807 -73.646 1.00 29.66 ? 135 GLY D N 1 ATOM 9443 C CA . GLY D 1 68 ? -23.678 31.227 -73.621 1.00 32.55 ? 135 GLY D CA 1 ATOM 9444 C C . GLY D 1 68 ? -24.760 31.506 -74.663 1.00 33.08 ? 135 GLY D C 1 ATOM 9445 O O . GLY D 1 68 ? -25.007 30.678 -75.537 1.00 32.77 ? 135 GLY D O 1 ATOM 9446 N N . GLN D 1 69 ? -25.376 32.654 -74.518 1.00 32.10 ? 136 GLN D N 1 ATOM 9447 C CA . GLN D 1 69 ? -26.364 33.148 -75.427 1.00 33.90 ? 136 GLN D CA 1 ATOM 9448 C C . GLN D 1 69 ? -25.875 34.350 -76.195 1.00 35.62 ? 136 GLN D C 1 ATOM 9449 O O . GLN D 1 69 ? -26.663 35.097 -76.767 1.00 35.58 ? 136 GLN D O 1 ATOM 9450 C CB . GLN D 1 69 ? -27.606 33.507 -74.662 1.00 36.15 ? 136 GLN D CB 1 ATOM 9451 C CG . GLN D 1 69 ? -28.297 32.271 -74.126 1.00 39.31 ? 136 GLN D CG 1 ATOM 9452 C CD . GLN D 1 69 ? -29.149 31.604 -75.195 1.00 40.11 ? 136 GLN D CD 1 ATOM 9453 O OE1 . GLN D 1 69 ? -28.998 31.868 -76.373 1.00 44.16 ? 136 GLN D OE1 1 ATOM 9454 N NE2 . GLN D 1 69 ? -30.029 30.732 -74.781 1.00 40.77 ? 136 GLN D NE2 1 ATOM 9455 N N . GLY D 1 70 ? -24.549 34.488 -76.288 1.00 36.19 ? 137 GLY D N 1 ATOM 9456 C CA . GLY D 1 70 ? -23.965 35.563 -77.091 1.00 35.78 ? 137 GLY D CA 1 ATOM 9457 C C . GLY D 1 70 ? -24.324 36.959 -76.585 1.00 39.06 ? 137 GLY D C 1 ATOM 9458 O O . GLY D 1 70 ? -24.314 37.928 -77.332 1.00 42.08 ? 137 GLY D O 1 ATOM 9459 N N . THR D 1 71 ? -24.557 37.064 -75.288 1.00 38.69 ? 138 THR D N 1 ATOM 9460 C CA . THR D 1 71 ? -24.870 38.328 -74.660 1.00 36.84 ? 138 THR D CA 1 ATOM 9461 C C . THR D 1 71 ? -24.622 38.241 -73.172 1.00 33.41 ? 138 THR D C 1 ATOM 9462 O O . THR D 1 71 ? -24.661 37.160 -72.569 1.00 34.71 ? 138 THR D O 1 ATOM 9463 C CB . THR D 1 71 ? -26.329 38.701 -74.923 1.00 36.53 ? 138 THR D CB 1 ATOM 9464 O OG1 . THR D 1 71 ? -26.643 39.963 -74.348 1.00 37.19 ? 138 THR D OG1 1 ATOM 9465 C CG2 . THR D 1 71 ? -27.244 37.632 -74.388 1.00 39.04 ? 138 THR D CG2 1 ATOM 9466 N N . THR D 1 72 ? -24.402 39.405 -72.578 1.00 33.12 ? 139 THR D N 1 ATOM 9467 C CA . THR D 1 72 ? -24.487 39.565 -71.139 1.00 38.44 ? 139 THR D CA 1 ATOM 9468 C C . THR D 1 72 ? -25.954 39.802 -70.726 1.00 37.16 ? 139 THR D C 1 ATOM 9469 O O . THR D 1 72 ? -26.849 39.991 -71.557 1.00 36.21 ? 139 THR D O 1 ATOM 9470 C CB . THR D 1 72 ? -23.618 40.708 -70.622 1.00 39.79 ? 139 THR D CB 1 ATOM 9471 O OG1 . THR D 1 72 ? -23.782 41.876 -71.450 1.00 36.62 ? 139 THR D OG1 1 ATOM 9472 C CG2 . THR D 1 72 ? -22.179 40.260 -70.651 1.00 41.92 ? 139 THR D CG2 1 ATOM 9473 N N . LEU D 1 73 ? -26.202 39.793 -69.446 1.00 34.28 ? 140 LEU D N 1 ATOM 9474 C CA . LEU D 1 73 ? -27.579 39.873 -68.939 1.00 33.47 ? 140 LEU D CA 1 ATOM 9475 C C . LEU D 1 73 ? -28.122 41.263 -68.918 1.00 36.23 ? 140 LEU D C 1 ATOM 9476 O O . LEU D 1 73 ? -29.229 41.494 -69.402 1.00 41.44 ? 140 LEU D O 1 ATOM 9477 C CB . LEU D 1 73 ? -27.602 39.276 -67.587 1.00 30.49 ? 140 LEU D CB 1 ATOM 9478 C CG . LEU D 1 73 ? -28.990 39.168 -66.942 1.00 31.02 ? 140 LEU D CG 1 ATOM 9479 C CD1 . LEU D 1 73 ? -29.087 37.951 -66.032 1.00 32.83 ? 140 LEU D CD1 1 ATOM 9480 C CD2 . LEU D 1 73 ? -29.402 40.358 -66.162 1.00 31.08 ? 140 LEU D CD2 1 ATOM 9481 N N . ASN D 1 74 ? -27.345 42.224 -68.473 1.00 37.43 ? 141 ASN D N 1 ATOM 9482 C CA . ASN D 1 74 ? -27.807 43.633 -68.561 1.00 37.45 ? 141 ASN D CA 1 ATOM 9483 C C . ASN D 1 74 ? -27.433 44.233 -69.932 1.00 41.25 ? 141 ASN D C 1 ATOM 9484 O O . ASN D 1 74 ? -26.447 44.959 -70.084 1.00 38.51 ? 141 ASN D O 1 ATOM 9485 C CB . ASN D 1 74 ? -27.150 44.419 -67.413 1.00 33.20 ? 141 ASN D CB 1 ATOM 9486 C CG . ASN D 1 74 ? -27.780 45.817 -67.240 1.00 38.42 ? 141 ASN D CG 1 ATOM 9487 O OD1 . ASN D 1 74 ? -28.871 46.150 -67.799 1.00 32.82 ? 141 ASN D OD1 1 ATOM 9488 N ND2 . ASN D 1 74 ? -27.077 46.663 -66.550 1.00 33.54 ? 141 ASN D ND2 1 ATOM 9489 N N . ASN D 1 75 ? -28.221 43.838 -70.924 1.00 38.40 ? 142 ASN D N 1 ATOM 9490 C CA . ASN D 1 75 ? -27.950 44.025 -72.298 1.00 36.15 ? 142 ASN D CA 1 ATOM 9491 C C . ASN D 1 75 ? -29.302 43.708 -72.962 1.00 35.42 ? 142 ASN D C 1 ATOM 9492 O O . ASN D 1 75 ? -29.901 42.681 -72.718 1.00 40.11 ? 142 ASN D O 1 ATOM 9493 C CB . ASN D 1 75 ? -26.879 42.985 -72.697 1.00 39.56 ? 142 ASN D CB 1 ATOM 9494 C CG . ASN D 1 75 ? -26.372 43.131 -74.150 1.00 46.31 ? 142 ASN D CG 1 ATOM 9495 O OD1 . ASN D 1 75 ? -27.134 43.422 -75.067 1.00 40.70 ? 142 ASN D OD1 1 ATOM 9496 N ND2 . ASN D 1 75 ? -25.088 42.883 -74.347 1.00 39.34 ? 142 ASN D ND2 1 ATOM 9497 N N . LYS D 1 76 ? -29.756 44.556 -73.840 1.00 38.23 ? 143 LYS D N 1 ATOM 9498 C CA . LYS D 1 76 ? -31.012 44.308 -74.549 1.00 38.56 ? 143 LYS D CA 1 ATOM 9499 C C . LYS D 1 76 ? -31.040 43.057 -75.389 1.00 40.69 ? 143 LYS D C 1 ATOM 9500 O O . LYS D 1 76 ? -32.141 42.502 -75.607 1.00 41.49 ? 143 LYS D O 1 ATOM 9501 C CB . LYS D 1 76 ? -31.416 45.504 -75.392 1.00 44.98 ? 143 LYS D CB 1 ATOM 9502 C CG . LYS D 1 76 ? -31.903 46.601 -74.500 1.00 50.25 ? 143 LYS D CG 1 ATOM 9503 C CD . LYS D 1 76 ? -32.193 47.877 -75.232 1.00 61.97 ? 143 LYS D CD 1 ATOM 9504 C CE . LYS D 1 76 ? -32.618 48.902 -74.182 1.00 68.91 ? 143 LYS D CE 1 ATOM 9505 N NZ . LYS D 1 76 ? -32.876 50.200 -74.823 1.00 78.85 ? 143 LYS D NZ 1 ATOM 9506 N N . HIS D 1 77 ? -29.879 42.550 -75.830 1.00 35.87 ? 144 HIS D N 1 ATOM 9507 C CA . HIS D 1 77 ? -29.905 41.235 -76.478 1.00 35.52 ? 144 HIS D CA 1 ATOM 9508 C C . HIS D 1 77 ? -30.279 40.033 -75.563 1.00 35.81 ? 144 HIS D C 1 ATOM 9509 O O . HIS D 1 77 ? -30.400 38.914 -76.045 1.00 35.62 ? 144 HIS D O 1 ATOM 9510 C CB . HIS D 1 77 ? -28.580 40.899 -77.140 1.00 36.36 ? 144 HIS D CB 1 ATOM 9511 C CG . HIS D 1 77 ? -28.182 41.870 -78.182 1.00 36.46 ? 144 HIS D CG 1 ATOM 9512 N ND1 . HIS D 1 77 ? -27.468 43.003 -77.892 1.00 36.39 ? 144 HIS D ND1 1 ATOM 9513 C CD2 . HIS D 1 77 ? -28.408 41.899 -79.513 1.00 37.49 ? 144 HIS D CD2 1 ATOM 9514 C CE1 . HIS D 1 77 ? -27.240 43.678 -78.995 1.00 33.80 ? 144 HIS D CE1 1 ATOM 9515 N NE2 . HIS D 1 77 ? -27.790 43.026 -79.997 1.00 37.15 ? 144 HIS D NE2 1 ATOM 9516 N N . SER D 1 78 ? -30.399 40.245 -74.250 1.00 39.07 ? 145 SER D N 1 ATOM 9517 C CA . SER D 1 78 ? -30.818 39.153 -73.361 1.00 37.60 ? 145 SER D CA 1 ATOM 9518 C C . SER D 1 78 ? -32.306 38.801 -73.550 1.00 34.50 ? 145 SER D C 1 ATOM 9519 O O . SER D 1 78 ? -32.755 37.775 -73.047 1.00 40.23 ? 145 SER D O 1 ATOM 9520 C CB . SER D 1 78 ? -30.533 39.494 -71.885 1.00 36.64 ? 145 SER D CB 1 ATOM 9521 O OG . SER D 1 78 ? -31.404 40.491 -71.441 1.00 39.51 ? 145 SER D OG 1 ATOM 9522 N N . ASN D 1 79 ? -33.059 39.683 -74.200 1.00 35.42 ? 146 ASN D N 1 ATOM 9523 C CA . ASN D 1 79 ? -34.474 39.473 -74.459 1.00 41.67 ? 146 ASN D CA 1 ATOM 9524 C C . ASN D 1 79 ? -34.683 38.246 -75.323 1.00 39.37 ? 146 ASN D C 1 ATOM 9525 O O . ASN D 1 79 ? -34.089 38.129 -76.359 1.00 46.47 ? 146 ASN D O 1 ATOM 9526 C CB . ASN D 1 79 ? -35.051 40.694 -75.169 1.00 45.78 ? 146 ASN D CB 1 ATOM 9527 C CG . ASN D 1 79 ? -36.582 40.740 -75.180 1.00 53.22 ? 146 ASN D CG 1 ATOM 9528 O OD1 . ASN D 1 79 ? -37.281 39.727 -74.967 1.00 54.17 ? 146 ASN D OD1 1 ATOM 9529 N ND2 . ASN D 1 79 ? -37.117 41.946 -75.455 1.00 65.23 ? 146 ASN D ND2 1 ATOM 9530 N N . GLY D 1 80 ? -35.484 37.303 -74.884 1.00 38.97 ? 147 GLY D N 1 ATOM 9531 C CA . GLY D 1 80 ? -35.759 36.130 -75.743 1.00 41.11 ? 147 GLY D CA 1 ATOM 9532 C C . GLY D 1 80 ? -34.776 34.961 -75.607 1.00 40.41 ? 147 GLY D C 1 ATOM 9533 O O . GLY D 1 80 ? -34.842 33.999 -76.377 1.00 37.23 ? 147 GLY D O 1 ATOM 9534 N N . THR D 1 81 ? -33.960 34.984 -74.559 1.00 36.57 ? 148 THR D N 1 ATOM 9535 C CA . THR D 1 81 ? -32.982 33.932 -74.347 1.00 37.24 ? 148 THR D CA 1 ATOM 9536 C C . THR D 1 81 ? -33.498 32.610 -73.797 1.00 38.54 ? 148 THR D C 1 ATOM 9537 O O . THR D 1 81 ? -32.722 31.678 -73.551 1.00 38.66 ? 148 THR D O 1 ATOM 9538 C CB . THR D 1 81 ? -31.818 34.455 -73.524 1.00 42.93 ? 148 THR D CB 1 ATOM 9539 O OG1 . THR D 1 81 ? -32.309 35.235 -72.435 1.00 36.15 ? 148 THR D OG1 1 ATOM 9540 C CG2 . THR D 1 81 ? -30.981 35.390 -74.416 1.00 40.76 ? 148 THR D CG2 1 ATOM 9541 N N . ILE D 1 82 ? -34.814 32.468 -73.715 1.00 42.76 ? 149 ILE D N 1 ATOM 9542 C CA . ILE D 1 82 ? -35.389 31.157 -73.505 1.00 42.21 ? 149 ILE D CA 1 ATOM 9543 C C . ILE D 1 82 ? -35.143 30.189 -74.690 1.00 44.22 ? 149 ILE D C 1 ATOM 9544 O O . ILE D 1 82 ? -35.001 29.010 -74.481 1.00 43.07 ? 149 ILE D O 1 ATOM 9545 C CB . ILE D 1 82 ? -36.895 31.234 -73.201 1.00 44.97 ? 149 ILE D CB 1 ATOM 9546 C CG1 . ILE D 1 82 ? -37.377 29.852 -72.668 1.00 43.18 ? 149 ILE D CG1 1 ATOM 9547 C CG2 . ILE D 1 82 ? -37.688 31.739 -74.418 1.00 38.21 ? 149 ILE D CG2 1 ATOM 9548 C CD1 . ILE D 1 82 ? -38.756 29.925 -72.034 1.00 53.57 ? 149 ILE D CD1 1 ATOM 9549 N N . HIS D 1 83 ? -35.091 30.698 -75.918 1.00 53.62 ? 150 HIS D N 1 ATOM 9550 C CA . HIS D 1 83 ? -34.824 29.848 -77.119 1.00 52.76 ? 150 HIS D CA 1 ATOM 9551 C C . HIS D 1 83 ? -33.467 29.176 -77.034 1.00 47.26 ? 150 HIS D C 1 ATOM 9552 O O . HIS D 1 83 ? -32.488 29.779 -76.623 1.00 48.90 ? 150 HIS D O 1 ATOM 9553 C CB . HIS D 1 83 ? -34.999 30.630 -78.422 1.00 55.97 ? 150 HIS D CB 1 ATOM 9554 C CG . HIS D 1 83 ? -36.372 31.233 -78.551 1.00 65.40 ? 150 HIS D CG 1 ATOM 9555 N ND1 . HIS D 1 83 ? -37.516 30.467 -78.523 1.00 68.63 ? 150 HIS D ND1 1 ATOM 9556 C CD2 . HIS D 1 83 ? -36.790 32.525 -78.607 1.00 68.66 ? 150 HIS D CD2 1 ATOM 9557 C CE1 . HIS D 1 83 ? -38.577 31.249 -78.613 1.00 71.14 ? 150 HIS D CE1 1 ATOM 9558 N NE2 . HIS D 1 83 ? -38.164 32.504 -78.650 1.00 75.84 ? 150 HIS D NE2 1 ATOM 9559 N N . ASP D 1 84 ? -33.470 27.883 -77.299 1.00 45.15 ? 151 ASP D N 1 ATOM 9560 C CA . ASP D 1 84 ? -32.309 27.009 -77.111 1.00 43.23 ? 151 ASP D CA 1 ATOM 9561 C C . ASP D 1 84 ? -31.262 27.105 -78.232 1.00 43.93 ? 151 ASP D C 1 ATOM 9562 O O . ASP D 1 84 ? -30.089 26.838 -77.988 1.00 44.28 ? 151 ASP D O 1 ATOM 9563 C CB . ASP D 1 84 ? -32.720 25.528 -77.034 1.00 51.47 ? 151 ASP D CB 1 ATOM 9564 C CG . ASP D 1 84 ? -33.686 25.232 -75.889 1.00 63.38 ? 151 ASP D CG 1 ATOM 9565 O OD1 . ASP D 1 84 ? -33.542 25.786 -74.781 1.00 71.71 ? 151 ASP D OD1 1 ATOM 9566 O OD2 . ASP D 1 84 ? -34.641 24.456 -76.118 1.00 85.80 ? 151 ASP D OD2 1 ATOM 9567 N N . ARG D 1 85 ? -31.662 27.409 -79.460 1.00 34.39 ? 152 ARG D N 1 ATOM 9568 C CA . ARG D 1 85 ? -30.731 27.213 -80.617 1.00 38.42 ? 152 ARG D CA 1 ATOM 9569 C C . ARG D 1 85 ? -30.623 28.386 -81.509 1.00 37.50 ? 152 ARG D C 1 ATOM 9570 O O . ARG D 1 85 ? -31.488 28.624 -82.290 1.00 44.25 ? 152 ARG D O 1 ATOM 9571 C CB . ARG D 1 85 ? -31.090 25.962 -81.422 1.00 36.11 ? 152 ARG D CB 1 ATOM 9572 C CG . ARG D 1 85 ? -30.930 24.712 -80.550 1.00 39.26 ? 152 ARG D CG 1 ATOM 9573 C CD . ARG D 1 85 ? -31.197 23.408 -81.280 1.00 40.99 ? 152 ARG D CD 1 ATOM 9574 N NE . ARG D 1 85 ? -32.521 23.479 -81.831 1.00 47.58 ? 152 ARG D NE 1 ATOM 9575 C CZ . ARG D 1 85 ? -33.628 23.152 -81.178 1.00 47.91 ? 152 ARG D CZ 1 ATOM 9576 N NH1 . ARG D 1 85 ? -33.590 22.737 -79.931 1.00 45.32 ? 152 ARG D NH1 1 ATOM 9577 N NH2 . ARG D 1 85 ? -34.772 23.307 -81.787 1.00 51.76 ? 152 ARG D NH2 1 ATOM 9578 N N . ILE D 1 86 ? -29.598 29.185 -81.282 1.00 44.69 ? 153 ILE D N 1 ATOM 9579 C CA . ILE D 1 86 ? -29.265 30.313 -82.147 1.00 45.99 ? 153 ILE D CA 1 ATOM 9580 C C . ILE D 1 86 ? -27.763 30.220 -82.517 1.00 41.89 ? 153 ILE D C 1 ATOM 9581 O O . ILE D 1 86 ? -26.980 29.540 -81.840 1.00 37.85 ? 153 ILE D O 1 ATOM 9582 C CB . ILE D 1 86 ? -29.581 31.688 -81.496 1.00 46.28 ? 153 ILE D CB 1 ATOM 9583 C CG1 . ILE D 1 86 ? -28.784 31.896 -80.178 1.00 48.63 ? 153 ILE D CG1 1 ATOM 9584 C CG2 . ILE D 1 86 ? -31.061 31.835 -81.220 1.00 41.60 ? 153 ILE D CG2 1 ATOM 9585 C CD1 . ILE D 1 86 ? -28.842 33.345 -79.649 1.00 44.16 ? 153 ILE D CD1 1 ATOM 9586 N N . PRO D 1 87 ? -27.374 30.864 -83.613 1.00 39.64 ? 154 PRO D N 1 ATOM 9587 C CA . PRO D 1 87 ? -26.004 30.750 -84.090 1.00 41.92 ? 154 PRO D CA 1 ATOM 9588 C C . PRO D 1 87 ? -24.979 31.428 -83.186 1.00 40.74 ? 154 PRO D C 1 ATOM 9589 O O . PRO D 1 87 ? -23.791 31.154 -83.297 1.00 38.32 ? 154 PRO D O 1 ATOM 9590 C CB . PRO D 1 87 ? -26.034 31.462 -85.462 1.00 43.70 ? 154 PRO D CB 1 ATOM 9591 C CG . PRO D 1 87 ? -27.456 31.618 -85.800 1.00 44.34 ? 154 PRO D CG 1 ATOM 9592 C CD . PRO D 1 87 ? -28.224 31.640 -84.533 1.00 42.92 ? 154 PRO D CD 1 ATOM 9593 N N . HIS D 1 88 ? -25.450 32.264 -82.264 1.00 38.20 ? 155 HIS D N 1 ATOM 9594 C CA . HIS D 1 88 ? -24.555 32.985 -81.377 1.00 35.96 ? 155 HIS D CA 1 ATOM 9595 C C . HIS D 1 88 ? -24.193 32.211 -80.101 1.00 36.65 ? 155 HIS D C 1 ATOM 9596 O O . HIS D 1 88 ? -23.376 32.698 -79.347 1.00 35.48 ? 155 HIS D O 1 ATOM 9597 C CB . HIS D 1 88 ? -25.128 34.378 -81.086 1.00 34.54 ? 155 HIS D CB 1 ATOM 9598 C CG . HIS D 1 88 ? -25.681 34.981 -82.312 1.00 39.36 ? 155 HIS D CG 1 ATOM 9599 N ND1 . HIS D 1 88 ? -24.907 35.157 -83.436 1.00 40.00 ? 155 HIS D ND1 1 ATOM 9600 C CD2 . HIS D 1 88 ? -26.949 35.245 -82.688 1.00 42.18 ? 155 HIS D CD2 1 ATOM 9601 C CE1 . HIS D 1 88 ? -25.658 35.582 -84.435 1.00 40.84 ? 155 HIS D CE1 1 ATOM 9602 N NE2 . HIS D 1 88 ? -26.903 35.621 -84.016 1.00 43.64 ? 155 HIS D NE2 1 ATOM 9603 N N . ARG D 1 89 ? -24.745 31.009 -79.899 1.00 35.78 ? 156 ARG D N 1 ATOM 9604 C CA . ARG D 1 89 ? -24.398 30.244 -78.727 1.00 35.60 ? 156 ARG D CA 1 ATOM 9605 C C . ARG D 1 89 ? -22.999 29.668 -78.867 1.00 39.89 ? 156 ARG D C 1 ATOM 9606 O O . ARG D 1 89 ? -22.674 29.078 -79.897 1.00 32.34 ? 156 ARG D O 1 ATOM 9607 C CB . ARG D 1 89 ? -25.378 29.131 -78.430 1.00 32.41 ? 156 ARG D CB 1 ATOM 9608 C CG . ARG D 1 89 ? -26.752 29.680 -78.145 1.00 39.30 ? 156 ARG D CG 1 ATOM 9609 C CD . ARG D 1 89 ? -27.602 28.765 -77.297 1.00 36.79 ? 156 ARG D CD 1 ATOM 9610 N NE . ARG D 1 89 ? -27.263 28.798 -75.885 1.00 36.41 ? 156 ARG D NE 1 ATOM 9611 C CZ . ARG D 1 89 ? -27.959 28.147 -74.950 1.00 40.02 ? 156 ARG D CZ 1 ATOM 9612 N NH1 . ARG D 1 89 ? -28.956 27.366 -75.316 1.00 35.72 ? 156 ARG D NH1 1 ATOM 9613 N NH2 . ARG D 1 89 ? -27.654 28.235 -73.653 1.00 40.63 ? 156 ARG D NH2 1 ATOM 9614 N N . THR D 1 90 ? -22.202 29.824 -77.792 1.00 38.70 ? 157 THR D N 1 ATOM 9615 C CA . THR D 1 90 ? -20.844 29.320 -77.743 1.00 36.82 ? 157 THR D CA 1 ATOM 9616 C C . THR D 1 90 ? -20.624 28.610 -76.413 1.00 38.30 ? 157 THR D C 1 ATOM 9617 O O . THR D 1 90 ? -21.245 28.938 -75.409 1.00 31.17 ? 157 THR D O 1 ATOM 9618 C CB . THR D 1 90 ? -19.800 30.470 -77.881 1.00 38.40 ? 157 THR D CB 1 ATOM 9619 O OG1 . THR D 1 90 ? -20.032 31.520 -76.919 1.00 40.01 ? 157 THR D OG1 1 ATOM 9620 C CG2 . THR D 1 90 ? -19.868 31.089 -79.259 1.00 43.05 ? 157 THR D CG2 1 ATOM 9621 N N . LEU D 1 91 ? -19.717 27.653 -76.427 1.00 36.75 ? 158 LEU D N 1 ATOM 9622 C CA . LEU D 1 91 ? -19.322 26.990 -75.214 1.00 35.76 ? 158 LEU D CA 1 ATOM 9623 C C . LEU D 1 91 ? -18.344 27.808 -74.368 1.00 34.00 ? 158 LEU D C 1 ATOM 9624 O O . LEU D 1 91 ? -17.222 28.081 -74.813 1.00 32.32 ? 158 LEU D O 1 ATOM 9625 C CB . LEU D 1 91 ? -18.730 25.620 -75.552 1.00 32.57 ? 158 LEU D CB 1 ATOM 9626 C CG . LEU D 1 91 ? -18.253 24.823 -74.338 1.00 32.59 ? 158 LEU D CG 1 ATOM 9627 C CD1 . LEU D 1 91 ? -19.351 24.591 -73.302 1.00 34.16 ? 158 LEU D CD1 1 ATOM 9628 C CD2 . LEU D 1 91 ? -17.651 23.503 -74.784 1.00 33.65 ? 158 LEU D CD2 1 ATOM 9629 N N . LEU D 1 92 ? -18.794 28.214 -73.160 1.00 33.00 ? 159 LEU D N 1 ATOM 9630 C CA . LEU D 1 92 ? -17.979 28.981 -72.190 1.00 32.40 ? 159 LEU D CA 1 ATOM 9631 C C . LEU D 1 92 ? -17.242 28.064 -71.249 1.00 30.45 ? 159 LEU D C 1 ATOM 9632 O O . LEU D 1 92 ? -17.772 27.078 -70.829 1.00 37.89 ? 159 LEU D O 1 ATOM 9633 C CB . LEU D 1 92 ? -18.807 29.914 -71.378 1.00 32.83 ? 159 LEU D CB 1 ATOM 9634 C CG . LEU D 1 92 ? -19.726 30.870 -72.149 1.00 37.96 ? 159 LEU D CG 1 ATOM 9635 C CD1 . LEU D 1 92 ? -20.671 31.654 -71.221 1.00 37.55 ? 159 LEU D CD1 1 ATOM 9636 C CD2 . LEU D 1 92 ? -18.949 31.855 -73.003 1.00 38.76 ? 159 LEU D CD2 1 ATOM 9637 N N . MET D 1 93 ? -15.999 28.400 -70.948 1.00 33.06 ? 160 MET D N 1 ATOM 9638 C CA . MET D 1 93 ? -15.119 27.612 -70.071 1.00 35.41 ? 160 MET D CA 1 ATOM 9639 C C . MET D 1 93 ? -14.361 28.525 -69.124 1.00 32.18 ? 160 MET D C 1 ATOM 9640 O O . MET D 1 93 ? -13.703 29.422 -69.531 1.00 34.29 ? 160 MET D O 1 ATOM 9641 C CB . MET D 1 93 ? -14.136 26.799 -70.920 1.00 41.85 ? 160 MET D CB 1 ATOM 9642 C CG . MET D 1 93 ? -13.153 25.914 -70.171 1.00 45.69 ? 160 MET D CG 1 ATOM 9643 S SD . MET D 1 93 ? -12.023 25.011 -71.320 1.00 43.05 ? 160 MET D SD 1 ATOM 9644 C CE . MET D 1 93 ? -11.157 24.020 -70.114 1.00 45.02 ? 160 MET D CE 1 ATOM 9645 N N . SER D 1 94 ? -14.517 28.293 -67.837 1.00 38.82 ? 161 SER D N 1 ATOM 9646 C CA . SER D 1 94 ? -13.875 29.113 -66.801 1.00 36.65 ? 161 SER D CA 1 ATOM 9647 C C . SER D 1 94 ? -13.492 28.238 -65.634 1.00 35.64 ? 161 SER D C 1 ATOM 9648 O O . SER D 1 94 ? -14.100 27.181 -65.408 1.00 34.26 ? 161 SER D O 1 ATOM 9649 C CB . SER D 1 94 ? -14.874 30.175 -66.426 1.00 38.97 ? 161 SER D CB 1 ATOM 9650 O OG . SER D 1 94 ? -14.760 30.649 -65.139 1.00 44.27 ? 161 SER D OG 1 ATOM 9651 N N . GLU D 1 95 ? -12.450 28.603 -64.917 1.00 31.63 ? 162 GLU D N 1 ATOM 9652 C CA . GLU D 1 95 ? -12.054 27.775 -63.726 1.00 36.90 ? 162 GLU D CA 1 ATOM 9653 C C . GLU D 1 95 ? -13.200 27.761 -62.749 1.00 36.21 ? 162 GLU D C 1 ATOM 9654 O O . GLU D 1 95 ? -13.948 28.766 -62.664 1.00 35.60 ? 162 GLU D O 1 ATOM 9655 C CB . GLU D 1 95 ? -10.860 28.359 -62.992 1.00 42.32 ? 162 GLU D CB 1 ATOM 9656 C CG . GLU D 1 95 ? -9.583 28.393 -63.846 1.00 50.97 ? 162 GLU D CG 1 ATOM 9657 C CD . GLU D 1 95 ? -8.311 28.717 -63.058 1.00 58.79 ? 162 GLU D CD 1 ATOM 9658 O OE1 . GLU D 1 95 ? -8.340 28.770 -61.784 1.00 64.68 ? 162 GLU D OE1 1 ATOM 9659 O OE2 . GLU D 1 95 ? -7.306 28.990 -63.746 1.00 66.21 ? 162 GLU D OE2 1 ATOM 9660 N N . LEU D 1 96 ? -13.439 26.618 -62.136 1.00 33.56 ? 163 LEU D N 1 ATOM 9661 C CA . LEU D 1 96 ? -14.584 26.465 -61.260 1.00 33.03 ? 163 LEU D CA 1 ATOM 9662 C C . LEU D 1 96 ? -14.525 27.525 -60.141 1.00 34.24 ? 163 LEU D C 1 ATOM 9663 O O . LEU D 1 96 ? -13.506 27.701 -59.498 1.00 42.26 ? 163 LEU D O 1 ATOM 9664 C CB . LEU D 1 96 ? -14.550 25.099 -60.632 1.00 36.45 ? 163 LEU D CB 1 ATOM 9665 C CG . LEU D 1 96 ? -15.763 24.776 -59.683 1.00 37.71 ? 163 LEU D CG 1 ATOM 9666 C CD1 . LEU D 1 96 ? -17.043 24.701 -60.456 1.00 38.73 ? 163 LEU D CD1 1 ATOM 9667 C CD2 . LEU D 1 96 ? -15.530 23.450 -58.987 1.00 38.92 ? 163 LEU D CD2 1 ATOM 9668 N N . GLY D 1 97 ? -15.604 28.249 -59.965 1.00 35.71 ? 164 GLY D N 1 ATOM 9669 C CA . GLY D 1 97 ? -15.693 29.345 -58.998 1.00 34.96 ? 164 GLY D CA 1 ATOM 9670 C C . GLY D 1 97 ? -15.478 30.731 -59.564 1.00 35.74 ? 164 GLY D C 1 ATOM 9671 O O . GLY D 1 97 ? -15.775 31.740 -58.877 1.00 33.98 ? 164 GLY D O 1 ATOM 9672 N N . VAL D 1 98 ? -14.878 30.815 -60.769 1.00 35.11 ? 165 VAL D N 1 ATOM 9673 C CA . VAL D 1 98 ? -14.707 32.085 -61.430 1.00 33.34 ? 165 VAL D CA 1 ATOM 9674 C C . VAL D 1 98 ? -15.964 32.299 -62.289 1.00 35.67 ? 165 VAL D C 1 ATOM 9675 O O . VAL D 1 98 ? -16.243 31.532 -63.202 1.00 39.53 ? 165 VAL D O 1 ATOM 9676 C CB . VAL D 1 98 ? -13.463 32.126 -62.319 1.00 35.28 ? 165 VAL D CB 1 ATOM 9677 C CG1 . VAL D 1 98 ? -13.426 33.429 -63.103 1.00 32.36 ? 165 VAL D CG1 1 ATOM 9678 C CG2 . VAL D 1 98 ? -12.199 31.995 -61.473 1.00 36.47 ? 165 VAL D CG2 1 ATOM 9679 N N . PRO D 1 99 ? -16.730 33.351 -62.015 1.00 37.34 ? 166 PRO D N 1 ATOM 9680 C CA . PRO D 1 99 ? -17.994 33.530 -62.778 1.00 39.93 ? 166 PRO D CA 1 ATOM 9681 C C . PRO D 1 99 ? -17.765 33.875 -64.250 1.00 37.46 ? 166 PRO D C 1 ATOM 9682 O O . PRO D 1 99 ? -16.658 34.171 -64.648 1.00 36.90 ? 166 PRO D O 1 ATOM 9683 C CB . PRO D 1 99 ? -18.698 34.690 -62.082 1.00 41.88 ? 166 PRO D CB 1 ATOM 9684 C CG . PRO D 1 99 ? -17.767 35.195 -61.013 1.00 41.83 ? 166 PRO D CG 1 ATOM 9685 C CD . PRO D 1 99 ? -16.530 34.350 -60.960 1.00 37.41 ? 166 PRO D CD 1 ATOM 9686 N N . PHE D 1 100 ? -18.823 33.773 -65.045 1.00 35.71 ? 167 PHE D N 1 ATOM 9687 C CA . PHE D 1 100 ? -18.720 33.914 -66.477 1.00 38.42 ? 167 PHE D CA 1 ATOM 9688 C C . PHE D 1 100 ? -18.788 35.410 -66.795 1.00 39.98 ? 167 PHE D C 1 ATOM 9689 O O . PHE D 1 100 ? -19.831 35.926 -67.127 1.00 43.23 ? 167 PHE D O 1 ATOM 9690 C CB . PHE D 1 100 ? -19.823 33.138 -67.239 1.00 36.80 ? 167 PHE D CB 1 ATOM 9691 C CG . PHE D 1 100 ? -19.712 31.621 -67.173 1.00 38.67 ? 167 PHE D CG 1 ATOM 9692 C CD1 . PHE D 1 100 ? -18.581 30.940 -67.633 1.00 37.90 ? 167 PHE D CD1 1 ATOM 9693 C CD2 . PHE D 1 100 ? -20.778 30.859 -66.684 1.00 38.28 ? 167 PHE D CD2 1 ATOM 9694 C CE1 . PHE D 1 100 ? -18.506 29.553 -67.528 1.00 35.88 ? 167 PHE D CE1 1 ATOM 9695 C CE2 . PHE D 1 100 ? -20.699 29.484 -66.557 1.00 34.41 ? 167 PHE D CE2 1 ATOM 9696 C CZ . PHE D 1 100 ? -19.546 28.827 -66.971 1.00 35.62 ? 167 PHE D CZ 1 ATOM 9697 N N . HIS D 1 101 ? -17.658 36.075 -66.649 1.00 40.49 ? 168 HIS D N 1 ATOM 9698 C CA . HIS D 1 101 ? -17.509 37.497 -66.921 1.00 41.36 ? 168 HIS D CA 1 ATOM 9699 C C . HIS D 1 101 ? -16.955 37.697 -68.341 1.00 41.98 ? 168 HIS D C 1 ATOM 9700 O O . HIS D 1 101 ? -16.772 36.740 -69.087 1.00 40.64 ? 168 HIS D O 1 ATOM 9701 C CB . HIS D 1 101 ? -16.581 38.120 -65.849 1.00 44.76 ? 168 HIS D CB 1 ATOM 9702 C CG . HIS D 1 101 ? -15.220 37.538 -65.818 1.00 46.88 ? 168 HIS D CG 1 ATOM 9703 N ND1 . HIS D 1 101 ? -14.217 37.995 -66.625 1.00 50.54 ? 168 HIS D ND1 1 ATOM 9704 C CD2 . HIS D 1 101 ? -14.709 36.484 -65.151 1.00 53.20 ? 168 HIS D CD2 1 ATOM 9705 C CE1 . HIS D 1 101 ? -13.132 37.273 -66.446 1.00 47.09 ? 168 HIS D CE1 1 ATOM 9706 N NE2 . HIS D 1 101 ? -13.402 36.354 -65.547 1.00 54.11 ? 168 HIS D NE2 1 ATOM 9707 N N . LEU D 1 102 ? -16.689 38.937 -68.730 1.00 43.37 ? 169 LEU D N 1 ATOM 9708 C CA . LEU D 1 102 ? -16.253 39.240 -70.101 1.00 45.46 ? 169 LEU D CA 1 ATOM 9709 C C . LEU D 1 102 ? -14.889 38.687 -70.558 1.00 45.64 ? 169 LEU D C 1 ATOM 9710 O O . LEU D 1 102 ? -14.623 38.663 -71.746 1.00 45.10 ? 169 LEU D O 1 ATOM 9711 C CB . LEU D 1 102 ? -16.280 40.746 -70.389 1.00 48.45 ? 169 LEU D CB 1 ATOM 9712 C CG . LEU D 1 102 ? -17.651 41.349 -70.626 1.00 45.72 ? 169 LEU D CG 1 ATOM 9713 C CD1 . LEU D 1 102 ? -17.547 42.845 -70.764 1.00 50.85 ? 169 LEU D CD1 1 ATOM 9714 C CD2 . LEU D 1 102 ? -18.337 40.763 -71.831 1.00 46.67 ? 169 LEU D CD2 1 ATOM 9715 N N . GLY D 1 103 ? -14.022 38.309 -69.631 1.00 42.31 ? 170 GLY D N 1 ATOM 9716 C CA . GLY D 1 103 ? -12.793 37.646 -69.984 1.00 40.44 ? 170 GLY D CA 1 ATOM 9717 C C . GLY D 1 103 ? -12.933 36.137 -70.181 1.00 44.56 ? 170 GLY D C 1 ATOM 9718 O O . GLY D 1 103 ? -11.947 35.444 -70.416 1.00 44.60 ? 170 GLY D O 1 ATOM 9719 N N . THR D 1 104 ? -14.143 35.615 -70.104 1.00 37.89 ? 171 THR D N 1 ATOM 9720 C CA . THR D 1 104 ? -14.314 34.203 -70.261 1.00 36.18 ? 171 THR D CA 1 ATOM 9721 C C . THR D 1 104 ? -14.033 33.787 -71.715 1.00 37.20 ? 171 THR D C 1 ATOM 9722 O O . THR D 1 104 ? -14.512 34.427 -72.692 1.00 36.07 ? 171 THR D O 1 ATOM 9723 C CB . THR D 1 104 ? -15.754 33.800 -69.909 1.00 36.61 ? 171 THR D CB 1 ATOM 9724 O OG1 . THR D 1 104 ? -16.046 34.187 -68.562 1.00 41.40 ? 171 THR D OG1 1 ATOM 9725 C CG2 . THR D 1 104 ? -15.943 32.322 -70.064 1.00 37.34 ? 171 THR D CG2 1 ATOM 9726 N N . LYS D 1 105 ? -13.331 32.663 -71.844 1.00 34.63 ? 172 LYS D N 1 ATOM 9727 C CA . LYS D 1 105 ? -13.044 32.058 -73.127 1.00 38.04 ? 172 LYS D CA 1 ATOM 9728 C C . LYS D 1 105 ? -14.285 31.337 -73.739 1.00 40.84 ? 172 LYS D C 1 ATOM 9729 O O . LYS D 1 105 ? -14.912 30.501 -73.084 1.00 36.19 ? 172 LYS D O 1 ATOM 9730 C CB . LYS D 1 105 ? -11.886 31.093 -73.006 1.00 39.47 ? 172 LYS D CB 1 ATOM 9731 C CG . LYS D 1 105 ? -11.490 30.517 -74.359 1.00 48.50 ? 172 LYS D CG 1 ATOM 9732 C CD . LYS D 1 105 ? -10.172 29.818 -74.261 1.00 54.45 ? 172 LYS D CD 1 ATOM 9733 C CE . LYS D 1 105 ? -9.658 29.445 -75.633 1.00 72.44 ? 172 LYS D CE 1 ATOM 9734 N NZ . LYS D 1 105 ? -8.209 29.806 -75.735 1.00 82.22 ? 172 LYS D NZ 1 ATOM 9735 N N . GLN D 1 106 ? -14.585 31.679 -74.991 1.00 41.71 ? 173 GLN D N 1 ATOM 9736 C CA . GLN D 1 106 ? -15.537 30.934 -75.807 1.00 40.55 ? 173 GLN D CA 1 ATOM 9737 C C . GLN D 1 106 ? -14.772 29.926 -76.612 1.00 42.42 ? 173 GLN D C 1 ATOM 9738 O O . GLN D 1 106 ? -14.063 30.248 -77.568 1.00 41.35 ? 173 GLN D O 1 ATOM 9739 C CB . GLN D 1 106 ? -16.286 31.830 -76.757 1.00 37.81 ? 173 GLN D CB 1 ATOM 9740 C CG . GLN D 1 106 ? -17.049 32.925 -76.036 1.00 41.02 ? 173 GLN D CG 1 ATOM 9741 C CD . GLN D 1 106 ? -17.589 33.974 -76.978 1.00 38.46 ? 173 GLN D CD 1 ATOM 9742 O OE1 . GLN D 1 106 ? -18.664 33.812 -77.532 1.00 38.26 ? 173 GLN D OE1 1 ATOM 9743 N NE2 . GLN D 1 106 ? -16.834 35.039 -77.176 1.00 40.68 ? 173 GLN D NE2 1 ATOM 9744 N N . VAL D 1 107 ? -14.947 28.683 -76.243 1.00 38.49 ? 174 VAL D N 1 ATOM 9745 C CA . VAL D 1 107 ? -14.076 27.612 -76.704 1.00 38.15 ? 174 VAL D CA 1 ATOM 9746 C C . VAL D 1 107 ? -14.515 27.064 -78.086 1.00 41.43 ? 174 VAL D C 1 ATOM 9747 O O . VAL D 1 107 ? -13.694 26.531 -78.824 1.00 38.54 ? 174 VAL D O 1 ATOM 9748 C CB . VAL D 1 107 ? -14.063 26.582 -75.590 1.00 41.41 ? 174 VAL D CB 1 ATOM 9749 C CG1 . VAL D 1 107 ? -14.189 25.206 -76.069 1.00 48.15 ? 174 VAL D CG1 1 ATOM 9750 C CG2 . VAL D 1 107 ? -12.838 26.746 -74.713 1.00 44.72 ? 174 VAL D CG2 1 ATOM 9751 N N . CYS D 1 108 ? -15.787 27.197 -78.444 1.00 37.10 ? 175 CYS D N 1 ATOM 9752 C CA . CYS D 1 108 ? -16.236 26.760 -79.764 1.00 37.91 ? 175 CYS D CA 1 ATOM 9753 C C . CYS D 1 108 ? -17.676 27.231 -79.908 1.00 38.10 ? 175 CYS D C 1 ATOM 9754 O O . CYS D 1 108 ? -18.246 27.768 -78.975 1.00 37.74 ? 175 CYS D O 1 ATOM 9755 C CB . CYS D 1 108 ? -16.133 25.241 -79.901 1.00 38.60 ? 175 CYS D CB 1 ATOM 9756 S SG . CYS D 1 108 ? -17.268 24.502 -78.674 1.00 46.50 ? 175 CYS D SG 1 ATOM 9757 N N . ILE D 1 109 ? -18.243 27.079 -81.094 1.00 35.27 ? 176 ILE D N 1 ATOM 9758 C CA . ILE D 1 109 ? -19.601 27.542 -81.388 1.00 34.42 ? 176 ILE D CA 1 ATOM 9759 C C . ILE D 1 109 ? -20.488 26.350 -81.092 1.00 35.87 ? 176 ILE D C 1 ATOM 9760 O O . ILE D 1 109 ? -20.231 25.281 -81.600 1.00 31.84 ? 176 ILE D O 1 ATOM 9761 C CB . ILE D 1 109 ? -19.759 27.884 -82.885 1.00 35.74 ? 176 ILE D CB 1 ATOM 9762 C CG1 . ILE D 1 109 ? -18.661 28.877 -83.300 1.00 38.63 ? 176 ILE D CG1 1 ATOM 9763 C CG2 . ILE D 1 109 ? -21.129 28.473 -83.155 1.00 36.01 ? 176 ILE D CG2 1 ATOM 9764 C CD1 . ILE D 1 109 ? -18.658 29.244 -84.775 1.00 42.09 ? 176 ILE D CD1 1 ATOM 9765 N N . ALA D 1 110 ? -21.515 26.524 -80.265 1.00 35.34 ? 177 ALA D N 1 ATOM 9766 C CA . ALA D 1 110 ? -22.295 25.394 -79.802 1.00 35.64 ? 177 ALA D CA 1 ATOM 9767 C C . ALA D 1 110 ? -23.602 25.756 -79.188 1.00 36.50 ? 177 ALA D C 1 ATOM 9768 O O . ALA D 1 110 ? -23.677 26.634 -78.335 1.00 36.11 ? 177 ALA D O 1 ATOM 9769 C CB . ALA D 1 110 ? -21.509 24.589 -78.780 1.00 37.91 ? 177 ALA D CB 1 ATOM 9770 N N . TRP D 1 111 ? -24.645 25.072 -79.638 1.00 36.66 ? 178 TRP D N 1 ATOM 9771 C CA . TRP D 1 111 ? -25.892 25.058 -78.888 1.00 34.98 ? 178 TRP D CA 1 ATOM 9772 C C . TRP D 1 111 ? -26.149 23.719 -78.241 1.00 33.23 ? 178 TRP D C 1 ATOM 9773 O O . TRP D 1 111 ? -27.141 23.519 -77.687 1.00 29.10 ? 178 TRP D O 1 ATOM 9774 C CB . TRP D 1 111 ? -27.075 25.566 -79.700 1.00 35.51 ? 178 TRP D CB 1 ATOM 9775 C CG . TRP D 1 111 ? -27.266 25.076 -81.105 1.00 39.28 ? 178 TRP D CG 1 ATOM 9776 C CD1 . TRP D 1 111 ? -27.246 25.855 -82.243 1.00 40.53 ? 178 TRP D CD1 1 ATOM 9777 C CD2 . TRP D 1 111 ? -27.621 23.772 -81.533 1.00 37.23 ? 178 TRP D CD2 1 ATOM 9778 N NE1 . TRP D 1 111 ? -27.529 25.114 -83.325 1.00 36.26 ? 178 TRP D NE1 1 ATOM 9779 C CE2 . TRP D 1 111 ? -27.827 23.844 -82.927 1.00 39.24 ? 178 TRP D CE2 1 ATOM 9780 C CE3 . TRP D 1 111 ? -27.849 22.567 -80.874 1.00 37.48 ? 178 TRP D CE3 1 ATOM 9781 C CZ2 . TRP D 1 111 ? -28.146 22.734 -83.694 1.00 42.09 ? 178 TRP D CZ2 1 ATOM 9782 C CZ3 . TRP D 1 111 ? -28.214 21.469 -81.626 1.00 40.86 ? 178 TRP D CZ3 1 ATOM 9783 C CH2 . TRP D 1 111 ? -28.326 21.555 -83.034 1.00 42.15 ? 178 TRP D CH2 1 ATOM 9784 N N . SER D 1 112 ? -25.209 22.782 -78.343 1.00 35.83 ? 179 SER D N 1 ATOM 9785 C CA . SER D 1 112 ? -25.219 21.576 -77.515 1.00 34.91 ? 179 SER D CA 1 ATOM 9786 C C . SER D 1 112 ? -23.751 21.149 -77.415 1.00 36.45 ? 179 SER D C 1 ATOM 9787 O O . SER D 1 112 ? -23.001 21.339 -78.376 1.00 33.96 ? 179 SER D O 1 ATOM 9788 C CB . SER D 1 112 ? -26.051 20.495 -78.159 1.00 37.98 ? 179 SER D CB 1 ATOM 9789 O OG . SER D 1 112 ? -26.053 19.300 -77.379 1.00 36.41 ? 179 SER D OG 1 ATOM 9790 N N . SER D 1 113 ? -23.334 20.603 -76.286 1.00 30.75 ? 180 SER D N 1 ATOM 9791 C CA . SER D 1 113 ? -21.925 20.257 -76.116 1.00 34.06 ? 180 SER D CA 1 ATOM 9792 C C . SER D 1 113 ? -21.642 19.202 -75.071 1.00 33.41 ? 180 SER D C 1 ATOM 9793 O O . SER D 1 113 ? -22.501 18.884 -74.233 1.00 33.83 ? 180 SER D O 1 ATOM 9794 C CB . SER D 1 113 ? -21.115 21.478 -75.728 1.00 36.39 ? 180 SER D CB 1 ATOM 9795 O OG . SER D 1 113 ? -21.275 21.805 -74.350 1.00 40.40 ? 180 SER D OG 1 ATOM 9796 N N . SER D 1 114 ? -20.400 18.740 -75.103 1.00 33.08 ? 181 SER D N 1 ATOM 9797 C CA . SER D 1 114 ? -19.825 17.871 -74.073 1.00 39.12 ? 181 SER D CA 1 ATOM 9798 C C . SER D 1 114 ? -18.300 18.094 -74.068 1.00 37.87 ? 181 SER D C 1 ATOM 9799 O O . SER D 1 114 ? -17.741 18.445 -75.090 1.00 38.62 ? 181 SER D O 1 ATOM 9800 C CB . SER D 1 114 ? -20.154 16.415 -74.359 1.00 41.73 ? 181 SER D CB 1 ATOM 9801 O OG . SER D 1 114 ? -19.494 15.535 -73.454 1.00 38.73 ? 181 SER D OG 1 ATOM 9802 N N . SER D 1 115 ? -17.654 17.985 -72.911 1.00 36.81 ? 182 SER D N 1 ATOM 9803 C CA . SER D 1 115 ? -16.208 18.191 -72.832 1.00 36.01 ? 182 SER D CA 1 ATOM 9804 C C . SER D 1 115 ? -15.582 17.192 -71.902 1.00 36.85 ? 182 SER D C 1 ATOM 9805 O O . SER D 1 115 ? -16.211 16.738 -70.984 1.00 37.00 ? 182 SER D O 1 ATOM 9806 C CB . SER D 1 115 ? -15.850 19.564 -72.339 1.00 37.85 ? 182 SER D CB 1 ATOM 9807 O OG . SER D 1 115 ? -16.397 20.591 -73.145 1.00 43.40 ? 182 SER D OG 1 ATOM 9808 N N . CYS D 1 116 ? -14.329 16.846 -72.154 1.00 41.98 ? 183 CYS D N 1 ATOM 9809 C CA . CYS D 1 116 ? -13.592 15.995 -71.234 1.00 40.75 ? 183 CYS D CA 1 ATOM 9810 C C . CYS D 1 116 ? -12.132 16.064 -71.540 1.00 43.95 ? 183 CYS D C 1 ATOM 9811 O O . CYS D 1 116 ? -11.717 16.489 -72.637 1.00 37.40 ? 183 CYS D O 1 ATOM 9812 C CB . CYS D 1 116 ? -14.043 14.538 -71.330 1.00 42.27 ? 183 CYS D CB 1 ATOM 9813 S SG . CYS D 1 116 ? -14.235 13.896 -73.036 1.00 49.62 ? 183 CYS D SG 1 ATOM 9814 N N . HIS D 1 117 ? -11.339 15.683 -70.540 1.00 45.49 ? 184 HIS D N 1 ATOM 9815 C CA . HIS D 1 117 ? -9.865 15.777 -70.647 1.00 41.83 ? 184 HIS D CA 1 ATOM 9816 C C . HIS D 1 117 ? -9.334 14.362 -70.577 1.00 42.04 ? 184 HIS D C 1 ATOM 9817 O O . HIS D 1 117 ? -9.804 13.600 -69.722 1.00 37.38 ? 184 HIS D O 1 ATOM 9818 C CB . HIS D 1 117 ? -9.356 16.615 -69.502 1.00 41.71 ? 184 HIS D CB 1 ATOM 9819 C CG . HIS D 1 117 ? -7.961 17.074 -69.688 1.00 42.66 ? 184 HIS D CG 1 ATOM 9820 N ND1 . HIS D 1 117 ? -6.886 16.248 -69.485 1.00 44.84 ? 184 HIS D ND1 1 ATOM 9821 C CD2 . HIS D 1 117 ? -7.454 18.269 -70.033 1.00 42.60 ? 184 HIS D CD2 1 ATOM 9822 C CE1 . HIS D 1 117 ? -5.773 16.904 -69.718 1.00 43.87 ? 184 HIS D CE1 1 ATOM 9823 N NE2 . HIS D 1 117 ? -6.090 18.124 -70.080 1.00 43.77 ? 184 HIS D NE2 1 ATOM 9824 N N . ASP D 1 118 ? -8.419 13.977 -71.492 1.00 39.15 ? 185 ASP D N 1 ATOM 9825 C CA . ASP D 1 118 ? -7.951 12.571 -71.590 1.00 35.95 ? 185 ASP D CA 1 ATOM 9826 C C . ASP D 1 118 ? -6.668 12.322 -70.847 1.00 42.13 ? 185 ASP D C 1 ATOM 9827 O O . ASP D 1 118 ? -6.072 11.254 -70.941 1.00 41.63 ? 185 ASP D O 1 ATOM 9828 C CB . ASP D 1 118 ? -7.777 12.112 -73.065 1.00 39.20 ? 185 ASP D CB 1 ATOM 9829 C CG . ASP D 1 118 ? -6.674 12.818 -73.791 1.00 37.94 ? 185 ASP D CG 1 ATOM 9830 O OD1 . ASP D 1 118 ? -5.991 13.662 -73.175 1.00 40.09 ? 185 ASP D OD1 1 ATOM 9831 O OD2 . ASP D 1 118 ? -6.541 12.572 -75.015 1.00 40.67 ? 185 ASP D OD2 1 ATOM 9832 N N . GLY D 1 119 ? -6.255 13.321 -70.088 1.00 45.01 ? 186 GLY D N 1 ATOM 9833 C CA . GLY D 1 119 ? -4.964 13.322 -69.411 1.00 45.60 ? 186 GLY D CA 1 ATOM 9834 C C . GLY D 1 119 ? -3.873 14.124 -70.115 1.00 46.44 ? 186 GLY D C 1 ATOM 9835 O O . GLY D 1 119 ? -2.942 14.556 -69.472 1.00 47.20 ? 186 GLY D O 1 ATOM 9836 N N . LYS D 1 120 ? -3.993 14.314 -71.431 1.00 44.48 ? 187 LYS D N 1 ATOM 9837 C CA . LYS D 1 120 ? -3.084 15.179 -72.207 1.00 46.36 ? 187 LYS D CA 1 ATOM 9838 C C . LYS D 1 120 ? -3.696 16.508 -72.681 1.00 47.62 ? 187 LYS D C 1 ATOM 9839 O O . LYS D 1 120 ? -3.017 17.525 -72.729 1.00 46.08 ? 187 LYS D O 1 ATOM 9840 C CB . LYS D 1 120 ? -2.612 14.470 -73.466 1.00 52.30 ? 187 LYS D CB 1 ATOM 9841 C CG . LYS D 1 120 ? -1.843 13.236 -73.159 1.00 58.78 ? 187 LYS D CG 1 ATOM 9842 C CD . LYS D 1 120 ? -1.106 12.642 -74.352 1.00 63.26 ? 187 LYS D CD 1 ATOM 9843 C CE . LYS D 1 120 ? -0.104 11.605 -73.828 1.00 66.02 ? 187 LYS D CE 1 ATOM 9844 N NZ . LYS D 1 120 ? -0.213 10.309 -74.525 1.00 73.07 ? 187 LYS D NZ 1 ATOM 9845 N N . ALA D 1 121 ? -4.977 16.484 -73.036 1.00 46.71 ? 188 ALA D N 1 ATOM 9846 C CA . ALA D 1 121 ? -5.636 17.622 -73.607 1.00 41.47 ? 188 ALA D CA 1 ATOM 9847 C C . ALA D 1 121 ? -7.147 17.557 -73.477 1.00 38.19 ? 188 ALA D C 1 ATOM 9848 O O . ALA D 1 121 ? -7.717 16.526 -73.197 1.00 37.39 ? 188 ALA D O 1 ATOM 9849 C CB . ALA D 1 121 ? -5.233 17.758 -75.071 1.00 38.56 ? 188 ALA D CB 1 ATOM 9850 N N . TRP D 1 122 ? -7.763 18.704 -73.724 1.00 39.90 ? 189 TRP D N 1 ATOM 9851 C CA . TRP D 1 122 ? -9.216 18.858 -73.733 1.00 38.51 ? 189 TRP D CA 1 ATOM 9852 C C . TRP D 1 122 ? -9.782 18.450 -75.069 1.00 32.40 ? 189 TRP D C 1 ATOM 9853 O O . TRP D 1 122 ? -9.272 18.808 -76.106 1.00 32.97 ? 189 TRP D O 1 ATOM 9854 C CB . TRP D 1 122 ? -9.608 20.316 -73.427 1.00 36.12 ? 189 TRP D CB 1 ATOM 9855 C CG . TRP D 1 122 ? -9.528 20.621 -71.990 1.00 37.42 ? 189 TRP D CG 1 ATOM 9856 C CD1 . TRP D 1 122 ? -8.528 21.340 -71.332 1.00 34.50 ? 189 TRP D CD1 1 ATOM 9857 C CD2 . TRP D 1 122 ? -10.470 20.223 -70.969 1.00 35.94 ? 189 TRP D CD2 1 ATOM 9858 N NE1 . TRP D 1 122 ? -8.815 21.383 -69.979 1.00 37.86 ? 189 TRP D NE1 1 ATOM 9859 C CE2 . TRP D 1 122 ? -9.985 20.710 -69.733 1.00 36.01 ? 189 TRP D CE2 1 ATOM 9860 C CE3 . TRP D 1 122 ? -11.649 19.488 -70.984 1.00 35.56 ? 189 TRP D CE3 1 ATOM 9861 C CZ2 . TRP D 1 122 ? -10.644 20.457 -68.515 1.00 38.07 ? 189 TRP D CZ2 1 ATOM 9862 C CZ3 . TRP D 1 122 ? -12.324 19.266 -69.777 1.00 33.93 ? 189 TRP D CZ3 1 ATOM 9863 C CH2 . TRP D 1 122 ? -11.828 19.761 -68.565 1.00 33.57 ? 189 TRP D CH2 1 ATOM 9864 N N . LEU D 1 123 ? -10.848 17.670 -75.006 1.00 36.07 ? 190 LEU D N 1 ATOM 9865 C CA . LEU D 1 123 ? -11.758 17.441 -76.121 1.00 35.63 ? 190 LEU D CA 1 ATOM 9866 C C . LEU D 1 123 ? -13.059 18.182 -75.871 1.00 36.44 ? 190 LEU D C 1 ATOM 9867 O O . LEU D 1 123 ? -13.617 18.128 -74.760 1.00 35.03 ? 190 LEU D O 1 ATOM 9868 C CB . LEU D 1 123 ? -12.089 15.952 -76.228 1.00 36.04 ? 190 LEU D CB 1 ATOM 9869 C CG . LEU D 1 123 ? -13.126 15.600 -77.321 1.00 35.51 ? 190 LEU D CG 1 ATOM 9870 C CD1 . LEU D 1 123 ? -12.583 15.798 -78.738 1.00 35.58 ? 190 LEU D CD1 1 ATOM 9871 C CD2 . LEU D 1 123 ? -13.582 14.184 -77.133 1.00 35.87 ? 190 LEU D CD2 1 ATOM 9872 N N . HIS D 1 124 ? -13.525 18.888 -76.888 1.00 36.72 ? 191 HIS D N 1 ATOM 9873 C CA . HIS D 1 124 ? -14.831 19.492 -76.864 1.00 37.89 ? 191 HIS D CA 1 ATOM 9874 C C . HIS D 1 124 ? -15.616 18.977 -78.071 1.00 38.30 ? 191 HIS D C 1 ATOM 9875 O O . HIS D 1 124 ? -15.117 18.979 -79.192 1.00 38.98 ? 191 HIS D O 1 ATOM 9876 C CB . HIS D 1 124 ? -14.793 21.026 -76.945 1.00 36.65 ? 191 HIS D CB 1 ATOM 9877 C CG . HIS D 1 124 ? -13.914 21.677 -75.930 1.00 38.28 ? 191 HIS D CG 1 ATOM 9878 N ND1 . HIS D 1 124 ? -14.201 21.681 -74.578 1.00 37.88 ? 191 HIS D ND1 1 ATOM 9879 C CD2 . HIS D 1 124 ? -12.718 22.289 -76.063 1.00 33.60 ? 191 HIS D CD2 1 ATOM 9880 C CE1 . HIS D 1 124 ? -13.246 22.292 -73.931 1.00 31.50 ? 191 HIS D CE1 1 ATOM 9881 N NE2 . HIS D 1 124 ? -12.333 22.658 -74.810 1.00 34.08 ? 191 HIS D NE2 1 ATOM 9882 N N . VAL D 1 125 ? -16.865 18.603 -77.811 1.00 34.83 ? 192 VAL D N 1 ATOM 9883 C CA . VAL D 1 125 ? -17.821 18.289 -78.825 1.00 35.74 ? 192 VAL D CA 1 ATOM 9884 C C . VAL D 1 125 ? -18.856 19.395 -78.879 1.00 39.63 ? 192 VAL D C 1 ATOM 9885 O O . VAL D 1 125 ? -19.576 19.648 -77.900 1.00 42.12 ? 192 VAL D O 1 ATOM 9886 C CB . VAL D 1 125 ? -18.510 17.015 -78.472 1.00 41.01 ? 192 VAL D CB 1 ATOM 9887 C CG1 . VAL D 1 125 ? -19.524 16.644 -79.560 1.00 43.98 ? 192 VAL D CG1 1 ATOM 9888 C CG2 . VAL D 1 125 ? -17.501 15.895 -78.285 1.00 36.23 ? 192 VAL D CG2 1 ATOM 9889 N N . CYS D 1 126 ? -18.957 20.029 -80.036 1.00 39.19 ? 193 CYS D N 1 ATOM 9890 C CA . CYS D 1 126 ? -19.683 21.262 -80.186 1.00 37.57 ? 193 CYS D CA 1 ATOM 9891 C C . CYS D 1 126 ? -20.633 21.159 -81.375 1.00 38.04 ? 193 CYS D C 1 ATOM 9892 O O . CYS D 1 126 ? -20.190 20.987 -82.507 1.00 37.98 ? 193 CYS D O 1 ATOM 9893 C CB . CYS D 1 126 ? -18.702 22.417 -80.407 1.00 42.16 ? 193 CYS D CB 1 ATOM 9894 S SG . CYS D 1 126 ? -17.473 22.577 -79.041 1.00 48.38 ? 193 CYS D SG 1 ATOM 9895 N N . VAL D 1 127 ? -21.934 21.288 -81.130 1.00 39.44 ? 194 VAL D N 1 ATOM 9896 C CA . VAL D 1 127 ? -22.943 21.158 -82.192 1.00 35.96 ? 194 VAL D CA 1 ATOM 9897 C C . VAL D 1 127 ? -23.571 22.484 -82.421 1.00 37.90 ? 194 VAL D C 1 ATOM 9898 O O . VAL D 1 127 ? -23.979 23.155 -81.444 1.00 37.07 ? 194 VAL D O 1 ATOM 9899 C CB . VAL D 1 127 ? -24.048 20.162 -81.805 1.00 38.69 ? 194 VAL D CB 1 ATOM 9900 C CG1 . VAL D 1 127 ? -24.940 19.857 -83.010 1.00 39.51 ? 194 VAL D CG1 1 ATOM 9901 C CG2 . VAL D 1 127 ? -23.454 18.861 -81.288 1.00 37.85 ? 194 VAL D CG2 1 ATOM 9902 N N . THR D 1 128 ? -23.625 22.879 -83.692 1.00 33.67 ? 195 THR D N 1 ATOM 9903 C CA . THR D 1 128 ? -24.246 24.152 -84.098 1.00 36.00 ? 195 THR D CA 1 ATOM 9904 C C . THR D 1 128 ? -24.797 24.055 -85.573 1.00 36.03 ? 195 THR D C 1 ATOM 9905 O O . THR D 1 128 ? -24.616 23.037 -86.223 1.00 39.01 ? 195 THR D O 1 ATOM 9906 C CB . THR D 1 128 ? -23.274 25.338 -83.950 1.00 37.06 ? 195 THR D CB 1 ATOM 9907 O OG1 . THR D 1 128 ? -23.936 26.598 -84.201 1.00 34.07 ? 195 THR D OG1 1 ATOM 9908 C CG2 . THR D 1 128 ? -22.164 25.222 -84.935 1.00 38.58 ? 195 THR D CG2 1 ATOM 9909 N N . GLY D 1 129 ? -25.460 25.105 -86.021 1.00 33.54 ? 196 GLY D N 1 ATOM 9910 C CA . GLY D 1 129 ? -26.062 25.199 -87.335 1.00 37.52 ? 196 GLY D CA 1 ATOM 9911 C C . GLY D 1 129 ? -27.570 25.074 -87.382 1.00 36.18 ? 196 GLY D C 1 ATOM 9912 O O . GLY D 1 129 ? -28.243 25.114 -86.349 1.00 37.58 ? 196 GLY D O 1 ATOM 9913 N N . ASP D 1 130 ? -28.092 24.813 -88.576 1.00 37.51 ? 197 ASP D N 1 ATOM 9914 C CA . ASP D 1 130 ? -29.510 24.542 -88.769 1.00 33.40 ? 197 ASP D CA 1 ATOM 9915 C C . ASP D 1 130 ? -29.967 23.397 -87.883 1.00 37.53 ? 197 ASP D C 1 ATOM 9916 O O . ASP D 1 130 ? -29.289 22.374 -87.738 1.00 37.71 ? 197 ASP D O 1 ATOM 9917 C CB . ASP D 1 130 ? -29.800 24.128 -90.184 1.00 38.28 ? 197 ASP D CB 1 ATOM 9918 C CG . ASP D 1 130 ? -29.547 25.222 -91.206 1.00 41.91 ? 197 ASP D CG 1 ATOM 9919 O OD1 . ASP D 1 130 ? -29.633 26.419 -90.855 1.00 48.11 ? 197 ASP D OD1 1 ATOM 9920 O OD2 . ASP D 1 130 ? -29.293 24.889 -92.403 1.00 45.13 ? 197 ASP D OD2 1 ATOM 9921 N N . ASP D 1 131 ? -31.152 23.548 -87.294 1.00 38.20 ? 198 ASP D N 1 ATOM 9922 C CA . ASP D 1 131 ? -31.737 22.511 -86.461 1.00 40.81 ? 198 ASP D CA 1 ATOM 9923 C C . ASP D 1 131 ? -31.646 21.104 -87.054 1.00 43.21 ? 198 ASP D C 1 ATOM 9924 O O . ASP D 1 131 ? -31.218 20.144 -86.381 1.00 35.91 ? 198 ASP D O 1 ATOM 9925 C CB . ASP D 1 131 ? -33.228 22.797 -86.250 1.00 49.13 ? 198 ASP D CB 1 ATOM 9926 C CG . ASP D 1 131 ? -33.500 23.755 -85.114 1.00 50.00 ? 198 ASP D CG 1 ATOM 9927 O OD1 . ASP D 1 131 ? -32.575 24.439 -84.664 1.00 56.35 ? 198 ASP D OD1 1 ATOM 9928 O OD2 . ASP D 1 131 ? -34.680 23.821 -84.681 1.00 69.51 ? 198 ASP D OD2 1 ATOM 9929 N N . ARG D 1 132 ? -32.077 20.978 -88.308 1.00 36.80 ? 199 ARG D N 1 ATOM 9930 C CA . ARG D 1 132 ? -32.224 19.668 -88.946 1.00 40.85 ? 199 ARG D CA 1 ATOM 9931 C C . ARG D 1 132 ? -31.041 19.294 -89.829 1.00 38.49 ? 199 ARG D C 1 ATOM 9932 O O . ARG D 1 132 ? -31.146 18.349 -90.624 1.00 43.75 ? 199 ARG D O 1 ATOM 9933 C CB . ARG D 1 132 ? -33.488 19.688 -89.816 1.00 44.30 ? 199 ARG D CB 1 ATOM 9934 C CG . ARG D 1 132 ? -34.695 20.131 -89.024 1.00 52.55 ? 199 ARG D CG 1 ATOM 9935 C CD . ARG D 1 132 ? -35.493 18.996 -88.475 1.00 58.43 ? 199 ARG D CD 1 ATOM 9936 N NE . ARG D 1 132 ? -36.447 19.511 -87.505 1.00 75.19 ? 199 ARG D NE 1 ATOM 9937 C CZ . ARG D 1 132 ? -37.428 18.812 -86.916 1.00 69.96 ? 199 ARG D CZ 1 ATOM 9938 N NH1 . ARG D 1 132 ? -37.642 17.539 -87.215 1.00 63.31 ? 199 ARG D NH1 1 ATOM 9939 N NH2 . ARG D 1 132 ? -38.200 19.411 -86.014 1.00 69.46 ? 199 ARG D NH2 1 ATOM 9940 N N . ASN D 1 133 ? -29.965 20.070 -89.784 1.00 38.68 ? 200 ASN D N 1 ATOM 9941 C CA . ASN D 1 133 ? -28.767 19.727 -90.598 1.00 41.05 ? 200 ASN D CA 1 ATOM 9942 C C . ASN D 1 133 ? -27.539 20.260 -89.934 1.00 36.11 ? 200 ASN D C 1 ATOM 9943 O O . ASN D 1 133 ? -26.767 21.049 -90.476 1.00 33.72 ? 200 ASN D O 1 ATOM 9944 C CB . ASN D 1 133 ? -28.877 20.199 -92.058 1.00 39.90 ? 200 ASN D CB 1 ATOM 9945 C CG . ASN D 1 133 ? -27.910 19.470 -92.983 1.00 41.81 ? 200 ASN D CG 1 ATOM 9946 O OD1 . ASN D 1 133 ? -27.518 18.366 -92.689 1.00 42.65 ? 200 ASN D OD1 1 ATOM 9947 N ND2 . ASN D 1 133 ? -27.534 20.086 -94.137 1.00 44.59 ? 200 ASN D ND2 1 ATOM 9948 N N . ALA D 1 134 ? -27.390 19.850 -88.695 1.00 35.32 ? 201 ALA D N 1 ATOM 9949 C CA . ALA D 1 134 ? -26.358 20.450 -87.857 1.00 35.13 ? 201 ALA D CA 1 ATOM 9950 C C . ALA D 1 134 ? -25.002 19.890 -88.149 1.00 34.01 ? 201 ALA D C 1 ATOM 9951 O O . ALA D 1 134 ? -24.903 18.867 -88.741 1.00 42.21 ? 201 ALA D O 1 ATOM 9952 C CB . ALA D 1 134 ? -26.708 20.247 -86.391 1.00 37.31 ? 201 ALA D CB 1 ATOM 9953 N N . THR D 1 135 ? -23.983 20.541 -87.613 1.00 35.26 ? 202 THR D N 1 ATOM 9954 C CA . THR D 1 135 ? -22.649 20.051 -87.639 1.00 37.02 ? 202 THR D CA 1 ATOM 9955 C C . THR D 1 135 ? -22.080 19.899 -86.219 1.00 37.60 ? 202 THR D C 1 ATOM 9956 O O . THR D 1 135 ? -22.205 20.812 -85.409 1.00 37.19 ? 202 THR D O 1 ATOM 9957 C CB . THR D 1 135 ? -21.695 21.050 -88.336 1.00 38.24 ? 202 THR D CB 1 ATOM 9958 O OG1 . THR D 1 135 ? -22.149 21.285 -89.652 1.00 36.83 ? 202 THR D OG1 1 ATOM 9959 C CG2 . THR D 1 135 ? -20.304 20.482 -88.399 1.00 36.35 ? 202 THR D CG2 1 ATOM 9960 N N . ALA D 1 136 ? -21.470 18.743 -85.940 1.00 34.81 ? 203 ALA D N 1 ATOM 9961 C CA . ALA D 1 136 ? -20.789 18.552 -84.673 1.00 39.11 ? 203 ALA D CA 1 ATOM 9962 C C . ALA D 1 136 ? -19.291 18.608 -84.947 1.00 41.32 ? 203 ALA D C 1 ATOM 9963 O O . ALA D 1 136 ? -18.763 17.795 -85.721 1.00 36.25 ? 203 ALA D O 1 ATOM 9964 C CB . ALA D 1 136 ? -21.153 17.219 -84.033 1.00 36.41 ? 203 ALA D CB 1 ATOM 9965 N N . SER D 1 137 ? -18.633 19.569 -84.311 1.00 36.59 ? 204 SER D N 1 ATOM 9966 C CA . SER D 1 137 ? -17.182 19.711 -84.449 1.00 35.86 ? 204 SER D CA 1 ATOM 9967 C C . SER D 1 137 ? -16.510 19.099 -83.223 1.00 36.40 ? 204 SER D C 1 ATOM 9968 O O . SER D 1 137 ? -17.020 19.177 -82.069 1.00 35.62 ? 204 SER D O 1 ATOM 9969 C CB . SER D 1 137 ? -16.794 21.181 -84.521 1.00 35.56 ? 204 SER D CB 1 ATOM 9970 O OG . SER D 1 137 ? -17.203 21.794 -85.719 1.00 36.50 ? 204 SER D OG 1 ATOM 9971 N N . PHE D 1 138 ? -15.391 18.477 -83.487 1.00 35.01 ? 205 PHE D N 1 ATOM 9972 C CA . PHE D 1 138 ? -14.555 17.865 -82.469 1.00 35.81 ? 205 PHE D CA 1 ATOM 9973 C C . PHE D 1 138 ? -13.254 18.597 -82.385 1.00 34.90 ? 205 PHE D C 1 ATOM 9974 O O . PHE D 1 138 ? -12.486 18.645 -83.355 1.00 38.14 ? 205 PHE D O 1 ATOM 9975 C CB . PHE D 1 138 ? -14.339 16.393 -82.769 1.00 35.51 ? 205 PHE D CB 1 ATOM 9976 C CG . PHE D 1 138 ? -15.616 15.634 -82.818 1.00 38.92 ? 205 PHE D CG 1 ATOM 9977 C CD1 . PHE D 1 138 ? -16.406 15.689 -83.929 1.00 42.64 ? 205 PHE D CD1 1 ATOM 9978 C CD2 . PHE D 1 138 ? -16.070 14.944 -81.730 1.00 42.88 ? 205 PHE D CD2 1 ATOM 9979 C CE1 . PHE D 1 138 ? -17.628 15.044 -83.960 1.00 43.80 ? 205 PHE D CE1 1 ATOM 9980 C CE2 . PHE D 1 138 ? -17.301 14.295 -81.756 1.00 45.56 ? 205 PHE D CE2 1 ATOM 9981 C CZ . PHE D 1 138 ? -18.075 14.338 -82.875 1.00 41.05 ? 205 PHE D CZ 1 ATOM 9982 N N . ILE D 1 139 ? -13.010 19.174 -81.222 1.00 32.54 ? 206 ILE D N 1 ATOM 9983 C CA . ILE D 1 139 ? -11.862 20.051 -81.038 1.00 35.81 ? 206 ILE D CA 1 ATOM 9984 C C . ILE D 1 139 ? -11.009 19.449 -80.000 1.00 34.31 ? 206 ILE D C 1 ATOM 9985 O O . ILE D 1 139 ? -11.472 19.166 -78.896 1.00 34.17 ? 206 ILE D O 1 ATOM 9986 C CB . ILE D 1 139 ? -12.341 21.450 -80.643 1.00 44.61 ? 206 ILE D CB 1 ATOM 9987 C CG1 . ILE D 1 139 ? -13.121 21.940 -81.878 1.00 46.90 ? 206 ILE D CG1 1 ATOM 9988 C CG2 . ILE D 1 139 ? -11.153 22.337 -80.273 1.00 41.41 ? 206 ILE D CG2 1 ATOM 9989 C CD1 . ILE D 1 139 ? -13.702 23.281 -81.748 1.00 48.18 ? 206 ILE D CD1 1 ATOM 9990 N N . TYR D 1 140 ? -9.782 19.131 -80.399 1.00 37.17 ? 207 TYR D N 1 ATOM 9991 C CA . TYR D 1 140 ? -8.845 18.444 -79.540 1.00 37.50 ? 207 TYR D CA 1 ATOM 9992 C C . TYR D 1 140 ? -7.612 19.266 -79.424 1.00 38.43 ? 207 TYR D C 1 ATOM 9993 O O . TYR D 1 140 ? -7.030 19.681 -80.416 1.00 36.52 ? 207 TYR D O 1 ATOM 9994 C CB . TYR D 1 140 ? -8.515 17.069 -80.070 1.00 35.69 ? 207 TYR D CB 1 ATOM 9995 C CG . TYR D 1 140 ? -7.607 16.286 -79.137 1.00 36.27 ? 207 TYR D CG 1 ATOM 9996 C CD1 . TYR D 1 140 ? -8.130 15.705 -77.956 1.00 37.23 ? 207 TYR D CD1 1 ATOM 9997 C CD2 . TYR D 1 140 ? -6.255 16.124 -79.406 1.00 33.11 ? 207 TYR D CD2 1 ATOM 9998 C CE1 . TYR D 1 140 ? -7.324 15.024 -77.071 1.00 40.96 ? 207 TYR D CE1 1 ATOM 9999 C CE2 . TYR D 1 140 ? -5.421 15.435 -78.525 1.00 39.56 ? 207 TYR D CE2 1 ATOM 10000 C CZ . TYR D 1 140 ? -5.956 14.896 -77.362 1.00 43.45 ? 207 TYR D CZ 1 ATOM 10001 O OH . TYR D 1 140 ? -5.202 14.176 -76.489 1.00 49.13 ? 207 TYR D OH 1 ATOM 10002 N N . ASP D 1 141 ? -7.236 19.559 -78.179 1.00 40.08 ? 208 ASP D N 1 ATOM 10003 C CA . ASP D 1 141 ? -6.081 20.389 -77.892 1.00 37.81 ? 208 ASP D CA 1 ATOM 10004 C C . ASP D 1 141 ? -6.097 21.752 -78.611 1.00 41.08 ? 208 ASP D C 1 ATOM 10005 O O . ASP D 1 141 ? -5.098 22.178 -79.206 1.00 43.35 ? 208 ASP D O 1 ATOM 10006 C CB . ASP D 1 141 ? -4.810 19.616 -78.251 1.00 45.56 ? 208 ASP D CB 1 ATOM 10007 C CG . ASP D 1 141 ? -3.551 20.093 -77.419 1.00 55.57 ? 208 ASP D CG 1 ATOM 10008 O OD1 . ASP D 1 141 ? -3.652 20.888 -76.433 1.00 54.78 ? 208 ASP D OD1 1 ATOM 10009 O OD2 . ASP D 1 141 ? -2.461 19.666 -77.786 1.00 66.03 ? 208 ASP D OD2 1 ATOM 10010 N N . GLY D 1 142 ? -7.245 22.398 -78.626 1.00 43.55 ? 209 GLY D N 1 ATOM 10011 C CA . GLY D 1 142 ? -7.412 23.676 -79.315 1.00 42.19 ? 209 GLY D CA 1 ATOM 10012 C C . GLY D 1 142 ? -7.466 23.613 -80.843 1.00 47.95 ? 209 GLY D C 1 ATOM 10013 O O . GLY D 1 142 ? -7.510 24.638 -81.468 1.00 48.49 ? 209 GLY D O 1 ATOM 10014 N N . MET D 1 143 ? -7.409 22.428 -81.446 1.00 49.82 ? 210 MET D N 1 ATOM 10015 C CA . MET D 1 143 ? -7.499 22.312 -82.895 1.00 51.89 ? 210 MET D CA 1 ATOM 10016 C C . MET D 1 143 ? -8.692 21.520 -83.347 1.00 44.30 ? 210 MET D C 1 ATOM 10017 O O . MET D 1 143 ? -9.045 20.506 -82.741 1.00 43.98 ? 210 MET D O 1 ATOM 10018 C CB . MET D 1 143 ? -6.266 21.606 -83.486 1.00 60.70 ? 210 MET D CB 1 ATOM 10019 C CG . MET D 1 143 ? -4.922 22.257 -83.170 1.00 70.08 ? 210 MET D CG 1 ATOM 10020 S SD . MET D 1 143 ? -3.534 21.171 -83.671 1.00 87.06 ? 210 MET D SD 1 ATOM 10021 C CE . MET D 1 143 ? -2.209 21.957 -82.712 1.00 101.92 ? 210 MET D CE 1 ATOM 10022 N N . LEU D 1 144 ? -9.230 21.909 -84.497 1.00 43.59 ? 211 LEU D N 1 ATOM 10023 C CA . LEU D 1 144 ? -10.298 21.143 -85.107 1.00 42.68 ? 211 LEU D CA 1 ATOM 10024 C C . LEU D 1 144 ? -9.790 19.841 -85.648 1.00 43.91 ? 211 LEU D C 1 ATOM 10025 O O . LEU D 1 144 ? -8.871 19.848 -86.453 1.00 43.27 ? 211 LEU D O 1 ATOM 10026 C CB . LEU D 1 144 ? -10.968 21.909 -86.238 1.00 47.07 ? 211 LEU D CB 1 ATOM 10027 C CG . LEU D 1 144 ? -12.274 21.133 -86.531 1.00 50.68 ? 211 LEU D CG 1 ATOM 10028 C CD1 . LEU D 1 144 ? -13.503 21.977 -86.311 1.00 50.51 ? 211 LEU D CD1 1 ATOM 10029 C CD2 . LEU D 1 144 ? -12.285 20.504 -87.893 1.00 47.56 ? 211 LEU D CD2 1 ATOM 10030 N N . ALA D 1 145 ? -10.344 18.728 -85.169 1.00 38.51 ? 212 ALA D N 1 ATOM 10031 C CA . ALA D 1 145 ? -9.835 17.418 -85.509 1.00 37.20 ? 212 ALA D CA 1 ATOM 10032 C C . ALA D 1 145 ? -10.755 16.567 -86.351 1.00 38.86 ? 212 ALA D C 1 ATOM 10033 O O . ALA D 1 145 ? -10.312 15.676 -87.037 1.00 43.24 ? 212 ALA D O 1 ATOM 10034 C CB . ALA D 1 145 ? -9.503 16.666 -84.242 1.00 41.02 ? 212 ALA D CB 1 ATOM 10035 N N . ASP D 1 146 ? -12.041 16.782 -86.244 1.00 39.69 ? 213 ASP D N 1 ATOM 10036 C CA . ASP D 1 146 ? -12.993 16.011 -87.017 1.00 41.67 ? 213 ASP D CA 1 ATOM 10037 C C . ASP D 1 146 ? -14.374 16.676 -86.939 1.00 38.22 ? 213 ASP D C 1 ATOM 10038 O O . ASP D 1 146 ? -14.553 17.613 -86.188 1.00 36.20 ? 213 ASP D O 1 ATOM 10039 C CB . ASP D 1 146 ? -13.130 14.623 -86.434 1.00 45.32 ? 213 ASP D CB 1 ATOM 10040 C CG . ASP D 1 146 ? -13.366 13.525 -87.511 1.00 49.65 ? 213 ASP D CG 1 ATOM 10041 O OD1 . ASP D 1 146 ? -13.680 13.878 -88.710 1.00 50.48 ? 213 ASP D OD1 1 ATOM 10042 O OD2 . ASP D 1 146 ? -13.181 12.313 -87.126 1.00 43.08 ? 213 ASP D OD2 1 ATOM 10043 N N . SER D 1 147 ? -15.305 16.207 -87.752 1.00 37.90 ? 214 SER D N 1 ATOM 10044 C CA . SER D 1 147 ? -16.668 16.707 -87.727 1.00 39.04 ? 214 SER D CA 1 ATOM 10045 C C . SER D 1 147 ? -17.585 15.658 -88.256 1.00 42.80 ? 214 SER D C 1 ATOM 10046 O O . SER D 1 147 ? -17.174 14.825 -89.063 1.00 43.19 ? 214 SER D O 1 ATOM 10047 C CB . SER D 1 147 ? -16.809 17.981 -88.577 1.00 37.66 ? 214 SER D CB 1 ATOM 10048 O OG . SER D 1 147 ? -16.567 17.755 -89.983 1.00 37.74 ? 214 SER D OG 1 ATOM 10049 N N . ILE D 1 148 ? -18.847 15.745 -87.867 1.00 40.26 ? 215 ILE D N 1 ATOM 10050 C CA . ILE D 1 148 ? -19.847 14.903 -88.440 1.00 39.28 ? 215 ILE D CA 1 ATOM 10051 C C . ILE D 1 148 ? -21.121 15.720 -88.617 1.00 43.41 ? 215 ILE D C 1 ATOM 10052 O O . ILE D 1 148 ? -21.417 16.584 -87.821 1.00 44.44 ? 215 ILE D O 1 ATOM 10053 C CB . ILE D 1 148 ? -20.057 13.670 -87.548 1.00 46.93 ? 215 ILE D CB 1 ATOM 10054 C CG1 . ILE D 1 148 ? -20.848 12.618 -88.297 1.00 46.25 ? 215 ILE D CG1 1 ATOM 10055 C CG2 . ILE D 1 148 ? -20.770 14.006 -86.233 1.00 48.70 ? 215 ILE D CG2 1 ATOM 10056 C CD1 . ILE D 1 148 ? -20.813 11.251 -87.607 1.00 46.65 ? 215 ILE D CD1 1 ATOM 10057 N N . GLY D 1 149 ? -21.862 15.415 -89.679 1.00 45.76 ? 216 GLY D N 1 ATOM 10058 C CA . GLY D 1 149 ? -23.180 15.976 -89.956 1.00 40.93 ? 216 GLY D CA 1 ATOM 10059 C C . GLY D 1 149 ? -24.290 15.148 -89.342 1.00 44.04 ? 216 GLY D C 1 ATOM 10060 O O . GLY D 1 149 ? -24.108 13.995 -88.967 1.00 45.74 ? 216 GLY D O 1 ATOM 10061 N N . SER D 1 150 ? -25.447 15.753 -89.205 1.00 42.65 ? 217 SER D N 1 ATOM 10062 C CA . SER D 1 150 ? -26.622 15.050 -88.717 1.00 43.74 ? 217 SER D CA 1 ATOM 10063 C C . SER D 1 150 ? -26.925 13.836 -89.610 1.00 44.04 ? 217 SER D C 1 ATOM 10064 O O . SER D 1 150 ? -26.994 13.981 -90.791 1.00 42.59 ? 217 SER D O 1 ATOM 10065 C CB . SER D 1 150 ? -27.772 16.017 -88.790 1.00 43.92 ? 217 SER D CB 1 ATOM 10066 O OG . SER D 1 150 ? -28.982 15.475 -88.347 1.00 46.29 ? 217 SER D OG 1 ATOM 10067 N N . TRP D 1 151 ? -27.076 12.652 -89.030 1.00 44.57 ? 218 TRP D N 1 ATOM 10068 C CA . TRP D 1 151 ? -27.350 11.403 -89.770 1.00 44.06 ? 218 TRP D CA 1 ATOM 10069 C C . TRP D 1 151 ? -28.835 11.119 -90.028 1.00 46.17 ? 218 TRP D C 1 ATOM 10070 O O . TRP D 1 151 ? -29.141 10.397 -90.899 1.00 51.66 ? 218 TRP D O 1 ATOM 10071 C CB . TRP D 1 151 ? -26.706 10.167 -89.075 1.00 41.68 ? 218 TRP D CB 1 ATOM 10072 C CG . TRP D 1 151 ? -26.967 10.029 -87.596 1.00 44.54 ? 218 TRP D CG 1 ATOM 10073 C CD1 . TRP D 1 151 ? -28.055 9.508 -87.001 1.00 45.13 ? 218 TRP D CD1 1 ATOM 10074 C CD2 . TRP D 1 151 ? -26.089 10.430 -86.530 1.00 47.56 ? 218 TRP D CD2 1 ATOM 10075 N NE1 . TRP D 1 151 ? -27.923 9.560 -85.616 1.00 47.59 ? 218 TRP D NE1 1 ATOM 10076 C CE2 . TRP D 1 151 ? -26.727 10.115 -85.302 1.00 44.13 ? 218 TRP D CE2 1 ATOM 10077 C CE3 . TRP D 1 151 ? -24.831 11.022 -86.491 1.00 46.34 ? 218 TRP D CE3 1 ATOM 10078 C CZ2 . TRP D 1 151 ? -26.138 10.375 -84.036 1.00 43.14 ? 218 TRP D CZ2 1 ATOM 10079 C CZ3 . TRP D 1 151 ? -24.244 11.262 -85.237 1.00 47.23 ? 218 TRP D CZ3 1 ATOM 10080 C CH2 . TRP D 1 151 ? -24.898 10.956 -84.034 1.00 41.41 ? 218 TRP D CH2 1 ATOM 10081 N N . SER D 1 152 ? -29.748 11.671 -89.255 1.00 49.62 ? 219 SER D N 1 ATOM 10082 C CA . SER D 1 152 ? -31.179 11.478 -89.519 1.00 47.00 ? 219 SER D CA 1 ATOM 10083 C C . SER D 1 152 ? -31.900 12.730 -89.927 1.00 49.40 ? 219 SER D C 1 ATOM 10084 O O . SER D 1 152 ? -33.083 12.684 -90.228 1.00 52.28 ? 219 SER D O 1 ATOM 10085 C CB . SER D 1 152 ? -31.872 11.009 -88.248 1.00 52.74 ? 219 SER D CB 1 ATOM 10086 O OG . SER D 1 152 ? -31.312 9.808 -87.834 1.00 56.75 ? 219 SER D OG 1 ATOM 10087 N N . GLN D 1 153 ? -31.224 13.864 -89.816 1.00 49.27 ? 220 GLN D N 1 ATOM 10088 C CA . GLN D 1 153 ? -31.840 15.172 -90.073 1.00 51.87 ? 220 GLN D CA 1 ATOM 10089 C C . GLN D 1 153 ? -33.032 15.440 -89.196 1.00 48.96 ? 220 GLN D C 1 ATOM 10090 O O . GLN D 1 153 ? -33.988 16.099 -89.601 1.00 47.75 ? 220 GLN D O 1 ATOM 10091 C CB . GLN D 1 153 ? -32.154 15.325 -91.544 1.00 53.44 ? 220 GLN D CB 1 ATOM 10092 C CG . GLN D 1 153 ? -30.891 14.896 -92.276 1.00 60.46 ? 220 GLN D CG 1 ATOM 10093 C CD . GLN D 1 153 ? -30.800 15.271 -93.704 1.00 68.46 ? 220 GLN D CD 1 ATOM 10094 O OE1 . GLN D 1 153 ? -31.763 15.090 -94.487 1.00 81.99 ? 220 GLN D OE1 1 ATOM 10095 N NE2 . GLN D 1 153 ? -29.617 15.765 -94.092 1.00 59.65 ? 220 GLN D NE2 1 ATOM 10096 N N . ASN D 1 154 ? -32.926 14.965 -87.967 1.00 42.09 ? 221 ASN D N 1 ATOM 10097 C CA . ASN D 1 154 ? -33.691 15.523 -86.841 1.00 49.74 ? 221 ASN D CA 1 ATOM 10098 C C . ASN D 1 154 ? -32.710 16.492 -86.158 1.00 42.95 ? 221 ASN D C 1 ATOM 10099 O O . ASN D 1 154 ? -31.824 17.041 -86.790 1.00 49.89 ? 221 ASN D O 1 ATOM 10100 C CB . ASN D 1 154 ? -34.155 14.407 -85.907 1.00 54.60 ? 221 ASN D CB 1 ATOM 10101 C CG . ASN D 1 154 ? -35.222 13.492 -86.566 1.00 71.87 ? 221 ASN D CG 1 ATOM 10102 O OD1 . ASN D 1 154 ? -36.324 13.930 -86.856 1.00 60.07 ? 221 ASN D OD1 1 ATOM 10103 N ND2 . ASN D 1 154 ? -34.876 12.218 -86.798 1.00 83.28 ? 221 ASN D ND2 1 ATOM 10104 N N . ILE D 1 155 ? -32.808 16.698 -84.874 1.00 40.70 ? 222 ILE D N 1 ATOM 10105 C CA . ILE D 1 155 ? -31.908 17.618 -84.215 1.00 43.34 ? 222 ILE D CA 1 ATOM 10106 C C . ILE D 1 155 ? -30.767 16.881 -83.570 1.00 39.43 ? 222 ILE D C 1 ATOM 10107 O O . ILE D 1 155 ? -30.967 16.209 -82.595 1.00 38.51 ? 222 ILE D O 1 ATOM 10108 C CB . ILE D 1 155 ? -32.713 18.449 -83.210 1.00 41.31 ? 222 ILE D CB 1 ATOM 10109 C CG1 . ILE D 1 155 ? -33.793 19.186 -84.008 1.00 43.23 ? 222 ILE D CG1 1 ATOM 10110 C CG2 . ILE D 1 155 ? -31.839 19.507 -82.501 1.00 38.02 ? 222 ILE D CG2 1 ATOM 10111 C CD1 . ILE D 1 155 ? -34.888 19.752 -83.137 1.00 46.29 ? 222 ILE D CD1 1 ATOM 10112 N N . LEU D 1 156 ? -29.558 17.064 -84.087 1.00 35.20 ? 223 LEU D N 1 ATOM 10113 C CA . LEU D 1 156 ? -28.405 16.425 -83.478 1.00 40.29 ? 223 LEU D CA 1 ATOM 10114 C C . LEU D 1 156 ? -28.016 17.121 -82.153 1.00 40.12 ? 223 LEU D C 1 ATOM 10115 O O . LEU D 1 156 ? -27.814 18.312 -82.129 1.00 44.25 ? 223 LEU D O 1 ATOM 10116 C CB . LEU D 1 156 ? -27.241 16.429 -84.472 1.00 41.85 ? 223 LEU D CB 1 ATOM 10117 C CG . LEU D 1 156 ? -25.941 15.755 -84.042 1.00 44.16 ? 223 LEU D CG 1 ATOM 10118 C CD1 . LEU D 1 156 ? -26.138 14.260 -83.805 1.00 46.32 ? 223 LEU D CD1 1 ATOM 10119 C CD2 . LEU D 1 156 ? -24.909 15.977 -85.115 1.00 45.48 ? 223 LEU D CD2 1 ATOM 10120 N N . ARG D 1 157 ? -27.917 16.356 -81.084 1.00 39.02 ? 224 ARG D N 1 ATOM 10121 C CA . ARG D 1 157 ? -27.656 16.834 -79.717 1.00 44.85 ? 224 ARG D CA 1 ATOM 10122 C C . ARG D 1 157 ? -26.785 15.876 -78.921 1.00 42.73 ? 224 ARG D C 1 ATOM 10123 O O . ARG D 1 157 ? -26.734 14.685 -79.231 1.00 43.34 ? 224 ARG D O 1 ATOM 10124 C CB . ARG D 1 157 ? -28.965 16.984 -78.952 1.00 46.75 ? 224 ARG D CB 1 ATOM 10125 C CG . ARG D 1 157 ? -29.651 18.358 -79.050 1.00 65.02 ? 224 ARG D CG 1 ATOM 10126 C CD . ARG D 1 157 ? -31.098 18.330 -78.532 1.00 71.98 ? 224 ARG D CD 1 ATOM 10127 N NE . ARG D 1 157 ? -31.901 17.372 -79.290 1.00 97.42 ? 224 ARG D NE 1 ATOM 10128 C CZ . ARG D 1 157 ? -33.222 17.309 -79.217 1.00 100.60 ? 224 ARG D CZ 1 ATOM 10129 N NH1 . ARG D 1 157 ? -33.886 16.437 -79.967 1.00 93.81 ? 224 ARG D NH1 1 ATOM 10130 N NH2 . ARG D 1 157 ? -33.878 18.114 -78.387 1.00 97.20 ? 224 ARG D NH2 1 ATOM 10131 N N . THR D 1 158 ? -26.113 16.390 -77.881 1.00 39.50 ? 225 THR D N 1 ATOM 10132 C CA . THR D 1 158 ? -25.259 15.564 -77.062 1.00 38.70 ? 225 THR D CA 1 ATOM 10133 C C . THR D 1 158 ? -25.508 15.766 -75.551 1.00 38.99 ? 225 THR D C 1 ATOM 10134 O O . THR D 1 158 ? -26.619 16.074 -75.133 1.00 36.74 ? 225 THR D O 1 ATOM 10135 C CB . THR D 1 158 ? -23.784 15.690 -77.531 1.00 42.68 ? 225 THR D CB 1 ATOM 10136 O OG1 . THR D 1 158 ? -22.980 14.716 -76.850 1.00 48.64 ? 225 THR D OG1 1 ATOM 10137 C CG2 . THR D 1 158 ? -23.243 17.032 -77.289 1.00 43.99 ? 225 THR D CG2 1 ATOM 10138 N N . GLN D 1 159 ? -24.519 15.505 -74.716 1.00 37.86 ? 226 GLN D N 1 ATOM 10139 C CA . GLN D 1 159 ? -24.789 15.244 -73.304 1.00 37.54 ? 226 GLN D CA 1 ATOM 10140 C C . GLN D 1 159 ? -25.123 16.434 -72.432 1.00 36.12 ? 226 GLN D C 1 ATOM 10141 O O . GLN D 1 159 ? -25.875 16.332 -71.476 1.00 34.90 ? 226 GLN D O 1 ATOM 10142 C CB . GLN D 1 159 ? -23.614 14.475 -72.708 1.00 40.22 ? 226 GLN D CB 1 ATOM 10143 C CG . GLN D 1 159 ? -23.385 13.074 -73.297 1.00 38.17 ? 226 GLN D CG 1 ATOM 10144 C CD . GLN D 1 159 ? -22.175 12.368 -72.760 1.00 43.84 ? 226 GLN D CD 1 ATOM 10145 O OE1 . GLN D 1 159 ? -21.690 11.412 -73.374 1.00 49.01 ? 226 GLN D OE1 1 ATOM 10146 N NE2 . GLN D 1 159 ? -21.687 12.795 -71.591 1.00 44.67 ? 226 GLN D NE2 1 ATOM 10147 N N . GLU D 1 160 ? -24.555 17.565 -72.768 1.00 33.31 ? 227 GLU D N 1 ATOM 10148 C CA . GLU D 1 160 ? -24.538 18.696 -71.861 1.00 36.57 ? 227 GLU D CA 1 ATOM 10149 C C . GLU D 1 160 ? -23.915 18.367 -70.487 1.00 37.49 ? 227 GLU D C 1 ATOM 10150 O O . GLU D 1 160 ? -24.233 19.006 -69.466 1.00 38.36 ? 227 GLU D O 1 ATOM 10151 C CB . GLU D 1 160 ? -25.916 19.325 -71.654 1.00 39.05 ? 227 GLU D CB 1 ATOM 10152 C CG . GLU D 1 160 ? -26.905 19.247 -72.829 1.00 42.53 ? 227 GLU D CG 1 ATOM 10153 C CD . GLU D 1 160 ? -26.477 19.923 -74.121 1.00 44.31 ? 227 GLU D CD 1 ATOM 10154 O OE1 . GLU D 1 160 ? -25.453 20.649 -74.077 1.00 42.47 ? 227 GLU D OE1 1 ATOM 10155 O OE2 . GLU D 1 160 ? -27.197 19.731 -75.169 1.00 59.99 ? 227 GLU D OE2 1 ATOM 10156 N N . SER D 1 161 ? -22.968 17.429 -70.478 1.00 37.07 ? 228 SER D N 1 ATOM 10157 C CA . SER D 1 161 ? -22.104 17.206 -69.309 1.00 36.30 ? 228 SER D CA 1 ATOM 10158 C C . SER D 1 161 ? -20.835 16.512 -69.782 1.00 34.28 ? 228 SER D C 1 ATOM 10159 O O . SER D 1 161 ? -20.617 16.355 -70.980 1.00 35.27 ? 228 SER D O 1 ATOM 10160 C CB . SER D 1 161 ? -22.817 16.426 -68.225 1.00 36.93 ? 228 SER D CB 1 ATOM 10161 O OG . SER D 1 161 ? -23.239 15.188 -68.752 1.00 41.26 ? 228 SER D OG 1 ATOM 10162 N N . GLU D 1 162 ? -19.954 16.171 -68.853 1.00 34.84 ? 229 GLU D N 1 ATOM 10163 C CA . GLU D 1 162 ? -18.657 15.665 -69.240 1.00 32.67 ? 229 GLU D CA 1 ATOM 10164 C C . GLU D 1 162 ? -18.718 14.331 -69.969 1.00 34.53 ? 229 GLU D C 1 ATOM 10165 O O . GLU D 1 162 ? -19.523 13.435 -69.598 1.00 29.41 ? 229 GLU D O 1 ATOM 10166 C CB . GLU D 1 162 ? -17.707 15.591 -68.062 1.00 33.26 ? 229 GLU D CB 1 ATOM 10167 C CG . GLU D 1 162 ? -17.822 14.447 -67.084 1.00 36.15 ? 229 GLU D CG 1 ATOM 10168 C CD . GLU D 1 162 ? -16.605 14.409 -66.099 1.00 45.52 ? 229 GLU D CD 1 ATOM 10169 O OE1 . GLU D 1 162 ? -16.533 13.518 -65.175 1.00 47.96 ? 229 GLU D OE1 1 ATOM 10170 O OE2 . GLU D 1 162 ? -15.687 15.264 -66.241 1.00 41.73 ? 229 GLU D OE2 1 ATOM 10171 N N . CYS D 1 163 ? -17.896 14.213 -71.013 1.00 30.08 ? 230 CYS D N 1 ATOM 10172 C CA . CYS D 1 163 ? -17.640 12.921 -71.626 1.00 34.61 ? 230 CYS D CA 1 ATOM 10173 C C . CYS D 1 163 ? -16.568 12.232 -70.785 1.00 36.65 ? 230 CYS D C 1 ATOM 10174 O O . CYS D 1 163 ? -16.139 12.775 -69.738 1.00 36.10 ? 230 CYS D O 1 ATOM 10175 C CB . CYS D 1 163 ? -17.222 13.025 -73.129 1.00 39.59 ? 230 CYS D CB 1 ATOM 10176 S SG . CYS D 1 163 ? -16.176 14.426 -73.626 1.00 47.41 ? 230 CYS D SG 1 ATOM 10177 N N . VAL D 1 164 ? -16.203 11.006 -71.185 1.00 35.13 ? 231 VAL D N 1 ATOM 10178 C CA . VAL D 1 164 ? -15.340 10.178 -70.395 1.00 35.90 ? 231 VAL D CA 1 ATOM 10179 C C . VAL D 1 164 ? -14.287 9.519 -71.270 1.00 38.95 ? 231 VAL D C 1 ATOM 10180 O O . VAL D 1 164 ? -14.610 8.952 -72.331 1.00 39.20 ? 231 VAL D O 1 ATOM 10181 C CB . VAL D 1 164 ? -16.115 9.105 -69.639 1.00 39.00 ? 231 VAL D CB 1 ATOM 10182 C CG1 . VAL D 1 164 ? -15.205 8.363 -68.667 1.00 39.93 ? 231 VAL D CG1 1 ATOM 10183 C CG2 . VAL D 1 164 ? -17.226 9.710 -68.810 1.00 42.01 ? 231 VAL D CG2 1 ATOM 10184 N N . CYS D 1 165 ? -13.029 9.622 -70.833 1.00 39.03 ? 232 CYS D N 1 ATOM 10185 C CA . CYS D 1 165 ? -11.906 9.069 -71.587 1.00 45.68 ? 232 CYS D CA 1 ATOM 10186 C C . CYS D 1 165 ? -11.173 8.066 -70.770 1.00 46.16 ? 232 CYS D C 1 ATOM 10187 O O . CYS D 1 165 ? -10.853 8.354 -69.619 1.00 44.56 ? 232 CYS D O 1 ATOM 10188 C CB . CYS D 1 165 ? -10.892 10.127 -71.950 1.00 49.12 ? 232 CYS D CB 1 ATOM 10189 S SG . CYS D 1 165 ? -11.562 11.582 -72.713 1.00 50.07 ? 232 CYS D SG 1 ATOM 10190 N N . ILE D 1 166 ? -10.897 6.909 -71.374 1.00 43.90 ? 233 ILE D N 1 ATOM 10191 C CA . ILE D 1 166 ? -10.063 5.920 -70.754 1.00 42.61 ? 233 ILE D CA 1 ATOM 10192 C C . ILE D 1 166 ? -8.951 5.505 -71.690 1.00 46.99 ? 233 ILE D C 1 ATOM 10193 O O . ILE D 1 166 ? -9.175 5.036 -72.797 1.00 39.73 ? 233 ILE D O 1 ATOM 10194 C CB . ILE D 1 166 ? -10.844 4.686 -70.351 1.00 46.41 ? 233 ILE D CB 1 ATOM 10195 C CG1 . ILE D 1 166 ? -11.860 5.069 -69.250 1.00 48.12 ? 233 ILE D CG1 1 ATOM 10196 C CG2 . ILE D 1 166 ? -9.902 3.607 -69.851 1.00 45.15 ? 233 ILE D CG2 1 ATOM 10197 C CD1 . ILE D 1 166 ? -12.814 3.975 -68.800 1.00 49.03 ? 233 ILE D CD1 1 ATOM 10198 N N . ASN D 1 167 ? -7.735 5.643 -71.195 1.00 44.27 ? 234 ASN D N 1 ATOM 10199 C CA . ASN D 1 167 ? -6.593 5.252 -71.948 1.00 50.09 ? 234 ASN D CA 1 ATOM 10200 C C . ASN D 1 167 ? -6.567 5.834 -73.353 1.00 45.88 ? 234 ASN D C 1 ATOM 10201 O O . ASN D 1 167 ? -6.190 5.182 -74.273 1.00 42.87 ? 234 ASN D O 1 ATOM 10202 C CB . ASN D 1 167 ? -6.429 3.724 -72.040 1.00 56.42 ? 234 ASN D CB 1 ATOM 10203 C CG . ASN D 1 167 ? -4.946 3.319 -72.028 1.00 63.64 ? 234 ASN D CG 1 ATOM 10204 O OD1 . ASN D 1 167 ? -4.072 4.180 -71.886 1.00 52.14 ? 234 ASN D OD1 1 ATOM 10205 N ND2 . ASN D 1 167 ? -4.657 2.034 -72.133 1.00 75.83 ? 234 ASN D ND2 1 ATOM 10206 N N . GLY D 1 168 ? -6.938 7.088 -73.487 1.00 49.21 ? 235 GLY D N 1 ATOM 10207 C CA . GLY D 1 168 ? -6.802 7.785 -74.747 1.00 42.83 ? 235 GLY D CA 1 ATOM 10208 C C . GLY D 1 168 ? -8.022 7.672 -75.641 1.00 45.28 ? 235 GLY D C 1 ATOM 10209 O O . GLY D 1 168 ? -8.068 8.311 -76.684 1.00 48.09 ? 235 GLY D O 1 ATOM 10210 N N . THR D 1 169 ? -8.987 6.842 -75.262 1.00 42.12 ? 236 THR D N 1 ATOM 10211 C CA . THR D 1 169 ? -10.234 6.734 -76.010 1.00 42.07 ? 236 THR D CA 1 ATOM 10212 C C . THR D 1 169 ? -11.370 7.387 -75.249 1.00 41.82 ? 236 THR D C 1 ATOM 10213 O O . THR D 1 169 ? -11.693 6.967 -74.139 1.00 41.50 ? 236 THR D O 1 ATOM 10214 C CB . THR D 1 169 ? -10.621 5.262 -76.282 1.00 41.67 ? 236 THR D CB 1 ATOM 10215 O OG1 . THR D 1 169 ? -9.648 4.671 -77.103 1.00 42.54 ? 236 THR D OG1 1 ATOM 10216 C CG2 . THR D 1 169 ? -11.927 5.210 -77.047 1.00 44.18 ? 236 THR D CG2 1 ATOM 10217 N N . CYS D 1 170 ? -12.003 8.377 -75.870 1.00 42.38 ? 237 CYS D N 1 ATOM 10218 C CA . CYS D 1 170 ? -13.081 9.113 -75.254 1.00 44.20 ? 237 CYS D CA 1 ATOM 10219 C C . CYS D 1 170 ? -14.404 8.690 -75.871 1.00 44.55 ? 237 CYS D C 1 ATOM 10220 O O . CYS D 1 170 ? -14.521 8.444 -77.066 1.00 43.17 ? 237 CYS D O 1 ATOM 10221 C CB . CYS D 1 170 ? -12.913 10.606 -75.438 1.00 46.85 ? 237 CYS D CB 1 ATOM 10222 S SG . CYS D 1 170 ? -11.350 11.267 -74.872 1.00 52.36 ? 237 CYS D SG 1 ATOM 10223 N N . THR D 1 171 ? -15.415 8.617 -75.030 1.00 43.40 ? 238 THR D N 1 ATOM 10224 C CA . THR D 1 171 ? -16.710 8.215 -75.487 1.00 41.01 ? 238 THR D CA 1 ATOM 10225 C C . THR D 1 171 ? -17.727 9.306 -75.172 1.00 42.56 ? 238 THR D C 1 ATOM 10226 O O . THR D 1 171 ? -17.660 9.989 -74.137 1.00 41.69 ? 238 THR D O 1 ATOM 10227 C CB . THR D 1 171 ? -17.133 6.872 -74.873 1.00 43.89 ? 238 THR D CB 1 ATOM 10228 O OG1 . THR D 1 171 ? -18.300 6.429 -75.530 1.00 46.91 ? 238 THR D OG1 1 ATOM 10229 C CG2 . THR D 1 171 ? -17.444 6.991 -73.388 1.00 44.22 ? 238 THR D CG2 1 ATOM 10230 N N . VAL D 1 172 ? -18.649 9.472 -76.092 1.00 41.16 ? 239 VAL D N 1 ATOM 10231 C CA . VAL D 1 172 ? -19.684 10.429 -75.978 1.00 45.00 ? 239 VAL D CA 1 ATOM 10232 C C . VAL D 1 172 ? -20.960 9.882 -76.652 1.00 42.72 ? 239 VAL D C 1 ATOM 10233 O O . VAL D 1 172 ? -20.899 9.311 -77.748 1.00 38.40 ? 239 VAL D O 1 ATOM 10234 C CB . VAL D 1 172 ? -19.256 11.796 -76.583 1.00 51.78 ? 239 VAL D CB 1 ATOM 10235 C CG1 . VAL D 1 172 ? -19.160 11.735 -78.098 1.00 51.80 ? 239 VAL D CG1 1 ATOM 10236 C CG2 . VAL D 1 172 ? -20.264 12.893 -76.198 1.00 54.21 ? 239 VAL D CG2 1 ATOM 10237 N N . VAL D 1 173 ? -22.105 10.158 -76.015 1.00 36.41 ? 240 VAL D N 1 ATOM 10238 C CA . VAL D 1 173 ? -23.367 9.740 -76.503 1.00 36.85 ? 240 VAL D CA 1 ATOM 10239 C C . VAL D 1 173 ? -24.050 10.917 -77.192 1.00 37.74 ? 240 VAL D C 1 ATOM 10240 O O . VAL D 1 173 ? -24.102 12.011 -76.655 1.00 33.32 ? 240 VAL D O 1 ATOM 10241 C CB . VAL D 1 173 ? -24.278 9.284 -75.348 1.00 41.03 ? 240 VAL D CB 1 ATOM 10242 C CG1 . VAL D 1 173 ? -25.550 8.722 -75.892 1.00 39.28 ? 240 VAL D CG1 1 ATOM 10243 C CG2 . VAL D 1 173 ? -23.592 8.226 -74.485 1.00 42.43 ? 240 VAL D CG2 1 ATOM 10244 N N . MET D 1 174 ? -24.664 10.641 -78.337 1.00 37.04 ? 241 MET D N 1 ATOM 10245 C CA . MET D 1 174 ? -25.341 11.643 -79.146 1.00 37.94 ? 241 MET D CA 1 ATOM 10246 C C . MET D 1 174 ? -26.659 11.084 -79.665 1.00 39.78 ? 241 MET D C 1 ATOM 10247 O O . MET D 1 174 ? -26.785 9.918 -79.960 1.00 46.16 ? 241 MET D O 1 ATOM 10248 C CB . MET D 1 174 ? -24.480 12.025 -80.350 1.00 40.27 ? 241 MET D CB 1 ATOM 10249 C CG . MET D 1 174 ? -23.112 12.620 -80.019 1.00 41.18 ? 241 MET D CG 1 ATOM 10250 S SD . MET D 1 174 ? -22.294 13.470 -81.406 1.00 49.04 ? 241 MET D SD 1 ATOM 10251 C CE . MET D 1 174 ? -23.094 15.066 -81.440 1.00 53.82 ? 241 MET D CE 1 ATOM 10252 N N . THR D 1 175 ? -27.643 11.935 -79.784 1.00 39.20 ? 242 THR D N 1 ATOM 10253 C CA . THR D 1 175 ? -28.924 11.546 -80.273 1.00 41.21 ? 242 THR D CA 1 ATOM 10254 C C . THR D 1 175 ? -29.325 12.515 -81.359 1.00 34.83 ? 242 THR D C 1 ATOM 10255 O O . THR D 1 175 ? -29.189 13.721 -81.231 1.00 39.41 ? 242 THR D O 1 ATOM 10256 C CB . THR D 1 175 ? -29.969 11.542 -79.148 1.00 41.72 ? 242 THR D CB 1 ATOM 10257 O OG1 . THR D 1 175 ? -29.568 10.606 -78.194 1.00 41.37 ? 242 THR D OG1 1 ATOM 10258 C CG2 . THR D 1 175 ? -31.375 11.119 -79.671 1.00 43.87 ? 242 THR D CG2 1 ATOM 10259 N N . ASP D 1 176 ? -29.792 11.976 -82.450 1.00 36.20 ? 243 ASP D N 1 ATOM 10260 C CA . ASP D 1 176 ? -30.356 12.776 -83.564 1.00 36.39 ? 243 ASP D CA 1 ATOM 10261 C C . ASP D 1 176 ? -31.860 12.476 -83.406 1.00 37.28 ? 243 ASP D C 1 ATOM 10262 O O . ASP D 1 176 ? -32.324 11.381 -83.680 1.00 37.85 ? 243 ASP D O 1 ATOM 10263 C CB . ASP D 1 176 ? -29.708 12.383 -84.895 1.00 42.27 ? 243 ASP D CB 1 ATOM 10264 C CG . ASP D 1 176 ? -29.987 13.375 -86.036 1.00 51.24 ? 243 ASP D CG 1 ATOM 10265 O OD1 . ASP D 1 176 ? -31.069 14.003 -86.075 1.00 53.99 ? 243 ASP D OD1 1 ATOM 10266 O OD2 . ASP D 1 176 ? -29.062 13.570 -86.875 1.00 52.81 ? 243 ASP D OD2 1 ATOM 10267 N N . GLY D 1 177 ? -32.571 13.428 -82.841 1.00 42.43 ? 244 GLY D N 1 ATOM 10268 C CA . GLY D 1 177 ? -33.960 13.237 -82.370 1.00 47.46 ? 244 GLY D CA 1 ATOM 10269 C C . GLY D 1 177 ? -34.843 14.472 -82.455 1.00 45.12 ? 244 GLY D C 1 ATOM 10270 O O . GLY D 1 177 ? -34.407 15.552 -82.807 1.00 45.80 ? 244 GLY D O 1 ATOM 10271 N N . SER D 1 178 ? -36.110 14.305 -82.181 1.00 57.27 ? 245 SER D N 1 ATOM 10272 C CA . SER D 1 178 ? -37.087 15.363 -82.426 1.00 68.41 ? 245 SER D CA 1 ATOM 10273 C C . SER D 1 178 ? -38.145 15.210 -81.403 1.00 59.94 ? 245 SER D C 1 ATOM 10274 O O . SER D 1 178 ? -38.301 14.144 -80.790 1.00 77.18 ? 245 SER D O 1 ATOM 10275 C CB . SER D 1 178 ? -37.661 15.311 -83.879 1.00 71.66 ? 245 SER D CB 1 ATOM 10276 O OG . SER D 1 178 ? -38.519 14.196 -84.042 1.00 81.39 ? 245 SER D OG 1 ATOM 10277 N N . ALA D 1 179 ? -38.855 16.308 -81.231 1.00 62.61 ? 246 ALA D N 1 ATOM 10278 C CA . ALA D 1 179 ? -39.943 16.431 -80.277 1.00 64.15 ? 246 ALA D CA 1 ATOM 10279 C C . ALA D 1 179 ? -41.064 15.401 -80.512 1.00 67.86 ? 246 ALA D C 1 ATOM 10280 O O . ALA D 1 179 ? -41.726 15.024 -79.563 1.00 69.21 ? 246 ALA D O 1 ATOM 10281 C CB . ALA D 1 179 ? -40.498 17.849 -80.325 1.00 68.29 ? 246 ALA D CB 1 ATOM 10282 N N . SER D 1 180 ? -41.231 14.906 -81.747 1.00 67.94 ? 247 SER D N 1 ATOM 10283 C CA . SER D 1 180 ? -42.136 13.813 -82.008 1.00 69.36 ? 247 SER D CA 1 ATOM 10284 C C . SER D 1 180 ? -41.776 12.473 -81.339 1.00 73.54 ? 247 SER D C 1 ATOM 10285 O O . SER D 1 180 ? -42.388 11.478 -81.693 1.00 76.10 ? 247 SER D O 1 ATOM 10286 C CB . SER D 1 180 ? -42.352 13.599 -83.527 1.00 75.20 ? 247 SER D CB 1 ATOM 10287 O OG . SER D 1 180 ? -41.188 13.207 -84.219 1.00 75.34 ? 247 SER D OG 1 ATOM 10288 N N . GLY D 1 181 ? -40.862 12.457 -80.358 1.00 71.96 ? 248 GLY D N 1 ATOM 10289 C CA . GLY D 1 181 ? -40.292 11.220 -79.787 1.00 71.86 ? 248 GLY D CA 1 ATOM 10290 C C . GLY D 1 181 ? -39.429 10.334 -80.711 1.00 56.32 ? 248 GLY D C 1 ATOM 10291 O O . GLY D 1 181 ? -39.207 9.190 -80.421 1.00 63.38 ? 248 GLY D O 1 ATOM 10292 N N . ARG D 1 182 ? -38.950 10.863 -81.823 1.00 58.88 ? 249 ARG D N 1 ATOM 10293 C CA . ARG D 1 182 ? -37.949 10.155 -82.670 1.00 55.26 ? 249 ARG D CA 1 ATOM 10294 C C . ARG D 1 182 ? -36.582 10.302 -82.037 1.00 52.04 ? 249 ARG D C 1 ATOM 10295 O O . ARG D 1 182 ? -36.251 11.353 -81.512 1.00 51.68 ? 249 ARG D O 1 ATOM 10296 C CB . ARG D 1 182 ? -37.867 10.706 -84.077 1.00 56.86 ? 249 ARG D CB 1 ATOM 10297 C CG . ARG D 1 182 ? -38.639 9.836 -85.019 1.00 68.31 ? 249 ARG D CG 1 ATOM 10298 C CD . ARG D 1 182 ? -37.826 8.615 -85.390 1.00 69.63 ? 249 ARG D CD 1 ATOM 10299 N NE . ARG D 1 182 ? -36.669 9.011 -86.174 1.00 72.77 ? 249 ARG D NE 1 ATOM 10300 C CZ . ARG D 1 182 ? -35.515 8.343 -86.236 1.00 88.73 ? 249 ARG D CZ 1 ATOM 10301 N NH1 . ARG D 1 182 ? -35.314 7.246 -85.497 1.00 94.38 ? 249 ARG D NH1 1 ATOM 10302 N NH2 . ARG D 1 182 ? -34.536 8.790 -87.034 1.00 81.28 ? 249 ARG D NH2 1 ATOM 10303 N N . ALA D 1 183 ? -35.822 9.228 -81.984 1.00 52.40 ? 250 ALA D N 1 ATOM 10304 C CA . ALA D 1 183 ? -34.503 9.304 -81.384 1.00 53.23 ? 250 ALA D CA 1 ATOM 10305 C C . ALA D 1 183 ? -33.589 8.270 -82.016 1.00 51.00 ? 250 ALA D C 1 ATOM 10306 O O . ALA D 1 183 ? -33.760 7.111 -81.784 1.00 57.39 ? 250 ALA D O 1 ATOM 10307 C CB . ALA D 1 183 ? -34.629 9.055 -79.904 1.00 48.11 ? 250 ALA D CB 1 ATOM 10308 N N . ASP D 1 184 ? -32.595 8.679 -82.790 1.00 50.31 ? 251 ASP D N 1 ATOM 10309 C CA . ASP D 1 184 ? -31.540 7.753 -83.233 1.00 46.81 ? 251 ASP D CA 1 ATOM 10310 C C . ASP D 1 184 ? -30.260 8.049 -82.435 1.00 45.28 ? 251 ASP D C 1 ATOM 10311 O O . ASP D 1 184 ? -29.567 9.045 -82.673 1.00 48.80 ? 251 ASP D O 1 ATOM 10312 C CB . ASP D 1 184 ? -31.317 7.871 -84.747 1.00 53.18 ? 251 ASP D CB 1 ATOM 10313 C CG . ASP D 1 184 ? -30.255 6.898 -85.286 1.00 55.27 ? 251 ASP D CG 1 ATOM 10314 O OD1 . ASP D 1 184 ? -29.319 6.522 -84.570 1.00 61.33 ? 251 ASP D OD1 1 ATOM 10315 O OD2 . ASP D 1 184 ? -30.343 6.543 -86.464 1.00 67.02 ? 251 ASP D OD2 1 ATOM 10316 N N . THR D 1 185 ? -29.966 7.170 -81.501 1.00 43.08 ? 252 THR D N 1 ATOM 10317 C CA . THR D 1 185 ? -28.888 7.353 -80.551 1.00 37.85 ? 252 THR D CA 1 ATOM 10318 C C . THR D 1 185 ? -27.683 6.594 -80.974 1.00 39.75 ? 252 THR D C 1 ATOM 10319 O O . THR D 1 185 ? -27.790 5.433 -81.316 1.00 41.32 ? 252 THR D O 1 ATOM 10320 C CB . THR D 1 185 ? -29.355 6.941 -79.145 1.00 35.39 ? 252 THR D CB 1 ATOM 10321 O OG1 . THR D 1 185 ? -30.372 7.855 -78.745 1.00 42.35 ? 252 THR D OG1 1 ATOM 10322 C CG2 . THR D 1 185 ? -28.229 7.068 -78.111 1.00 36.25 ? 252 THR D CG2 1 ATOM 10323 N N . ARG D 1 186 ? -26.520 7.245 -80.915 1.00 40.90 ? 253 ARG D N 1 ATOM 10324 C CA . ARG D 1 186 ? -25.267 6.610 -81.283 1.00 41.03 ? 253 ARG D CA 1 ATOM 10325 C C . ARG D 1 186 ? -24.187 6.959 -80.252 1.00 40.24 ? 253 ARG D C 1 ATOM 10326 O O . ARG D 1 186 ? -24.181 8.031 -79.699 1.00 44.78 ? 253 ARG D O 1 ATOM 10327 C CB . ARG D 1 186 ? -24.827 7.049 -82.677 1.00 42.24 ? 253 ARG D CB 1 ATOM 10328 C CG . ARG D 1 186 ? -25.842 6.903 -83.802 1.00 50.37 ? 253 ARG D CG 1 ATOM 10329 C CD . ARG D 1 186 ? -25.815 5.591 -84.521 1.00 56.28 ? 253 ARG D CD 1 ATOM 10330 N NE . ARG D 1 186 ? -26.903 5.546 -85.498 1.00 70.50 ? 253 ARG D NE 1 ATOM 10331 C CZ . ARG D 1 186 ? -27.282 4.468 -86.192 1.00 79.66 ? 253 ARG D CZ 1 ATOM 10332 N NH1 . ARG D 1 186 ? -26.674 3.293 -86.057 1.00 75.53 ? 253 ARG D NH1 1 ATOM 10333 N NH2 . ARG D 1 186 ? -28.290 4.575 -87.043 1.00 95.07 ? 253 ARG D NH2 1 ATOM 10334 N N . ILE D 1 187 ? -23.257 6.044 -80.056 1.00 37.99 ? 254 ILE D N 1 ATOM 10335 C CA . ILE D 1 187 ? -22.178 6.184 -79.140 1.00 35.63 ? 254 ILE D CA 1 ATOM 10336 C C . ILE D 1 187 ? -20.888 6.257 -79.925 1.00 37.33 ? 254 ILE D C 1 ATOM 10337 O O . ILE D 1 187 ? -20.523 5.323 -80.665 1.00 36.81 ? 254 ILE D O 1 ATOM 10338 C CB . ILE D 1 187 ? -22.101 5.009 -78.134 1.00 42.65 ? 254 ILE D CB 1 ATOM 10339 C CG1 . ILE D 1 187 ? -23.326 5.002 -77.190 1.00 44.21 ? 254 ILE D CG1 1 ATOM 10340 C CG2 . ILE D 1 187 ? -20.858 5.153 -77.214 1.00 39.24 ? 254 ILE D CG2 1 ATOM 10341 C CD1 . ILE D 1 187 ? -24.549 4.412 -77.822 1.00 51.56 ? 254 ILE D CD1 1 ATOM 10342 N N . LEU D 1 188 ? -20.213 7.396 -79.775 1.00 38.17 ? 255 LEU D N 1 ATOM 10343 C CA . LEU D 1 188 ? -18.998 7.713 -80.514 1.00 39.66 ? 255 LEU D CA 1 ATOM 10344 C C . LEU D 1 188 ? -17.789 7.446 -79.664 1.00 40.84 ? 255 LEU D C 1 ATOM 10345 O O . LEU D 1 188 ? -17.803 7.668 -78.464 1.00 39.13 ? 255 LEU D O 1 ATOM 10346 C CB . LEU D 1 188 ? -18.987 9.163 -80.949 1.00 41.08 ? 255 LEU D CB 1 ATOM 10347 C CG . LEU D 1 188 ? -19.891 9.470 -82.137 1.00 45.65 ? 255 LEU D CG 1 ATOM 10348 C CD1 . LEU D 1 188 ? -21.359 9.421 -81.776 1.00 49.31 ? 255 LEU D CD1 1 ATOM 10349 C CD2 . LEU D 1 188 ? -19.546 10.844 -82.635 1.00 47.59 ? 255 LEU D CD2 1 ATOM 10350 N N . PHE D 1 189 ? -16.754 6.936 -80.330 1.00 39.36 ? 256 PHE D N 1 ATOM 10351 C CA . PHE D 1 189 ? -15.475 6.667 -79.729 1.00 39.87 ? 256 PHE D CA 1 ATOM 10352 C C . PHE D 1 189 ? -14.472 7.506 -80.465 1.00 39.83 ? 256 PHE D C 1 ATOM 10353 O O . PHE D 1 189 ? -14.384 7.433 -81.679 1.00 39.56 ? 256 PHE D O 1 ATOM 10354 C CB . PHE D 1 189 ? -15.130 5.189 -79.877 1.00 40.64 ? 256 PHE D CB 1 ATOM 10355 C CG . PHE D 1 189 ? -16.103 4.296 -79.173 1.00 42.66 ? 256 PHE D CG 1 ATOM 10356 C CD1 . PHE D 1 189 ? -17.231 3.845 -79.826 1.00 42.41 ? 256 PHE D CD1 1 ATOM 10357 C CD2 . PHE D 1 189 ? -15.906 3.932 -77.832 1.00 41.34 ? 256 PHE D CD2 1 ATOM 10358 C CE1 . PHE D 1 189 ? -18.145 3.062 -79.159 1.00 39.95 ? 256 PHE D CE1 1 ATOM 10359 C CE2 . PHE D 1 189 ? -16.824 3.151 -77.168 1.00 40.16 ? 256 PHE D CE2 1 ATOM 10360 C CZ . PHE D 1 189 ? -17.945 2.709 -77.851 1.00 41.25 ? 256 PHE D CZ 1 ATOM 10361 N N . ILE D 1 190 ? -13.686 8.261 -79.709 1.00 38.55 ? 257 ILE D N 1 ATOM 10362 C CA . ILE D 1 190 ? -12.878 9.287 -80.251 1.00 38.25 ? 257 ILE D CA 1 ATOM 10363 C C . ILE D 1 190 ? -11.465 9.234 -79.671 1.00 44.62 ? 257 ILE D C 1 ATOM 10364 O O . ILE D 1 190 ? -11.277 9.145 -78.462 1.00 45.13 ? 257 ILE D O 1 ATOM 10365 C CB . ILE D 1 190 ? -13.512 10.629 -79.934 1.00 38.34 ? 257 ILE D CB 1 ATOM 10366 C CG1 . ILE D 1 190 ? -14.857 10.680 -80.607 1.00 44.56 ? 257 ILE D CG1 1 ATOM 10367 C CG2 . ILE D 1 190 ? -12.683 11.798 -80.500 1.00 40.48 ? 257 ILE D CG2 1 ATOM 10368 C CD1 . ILE D 1 190 ? -15.816 11.599 -79.922 1.00 48.16 ? 257 ILE D CD1 1 ATOM 10369 N N . LYS D 1 191 ? -10.476 9.374 -80.540 1.00 46.52 ? 258 LYS D N 1 ATOM 10370 C CA . LYS D 1 191 ? -9.074 9.230 -80.156 1.00 51.87 ? 258 LYS D CA 1 ATOM 10371 C C . LYS D 1 191 ? -8.333 10.446 -80.697 1.00 49.48 ? 258 LYS D C 1 ATOM 10372 O O . LYS D 1 191 ? -8.239 10.631 -81.905 1.00 44.06 ? 258 LYS D O 1 ATOM 10373 C CB . LYS D 1 191 ? -8.529 7.956 -80.756 1.00 60.49 ? 258 LYS D CB 1 ATOM 10374 C CG . LYS D 1 191 ? -7.561 7.209 -79.904 1.00 78.47 ? 258 LYS D CG 1 ATOM 10375 C CD . LYS D 1 191 ? -7.375 5.793 -80.494 1.00 79.77 ? 258 LYS D CD 1 ATOM 10376 C CE . LYS D 1 191 ? -6.019 5.158 -80.105 1.00 101.36 ? 258 LYS D CE 1 ATOM 10377 N NZ . LYS D 1 191 ? -5.619 4.031 -81.016 1.00 112.93 ? 258 LYS D NZ 1 ATOM 10378 N N . GLU D 1 192 ? -7.877 11.305 -79.797 1.00 44.50 ? 259 GLU D N 1 ATOM 10379 C CA . GLU D 1 192 ? -7.217 12.570 -80.153 1.00 51.93 ? 259 GLU D CA 1 ATOM 10380 C C . GLU D 1 192 ? -8.070 13.374 -81.121 1.00 48.92 ? 259 GLU D C 1 ATOM 10381 O O . GLU D 1 192 ? -7.583 13.951 -82.081 1.00 49.92 ? 259 GLU D O 1 ATOM 10382 C CB . GLU D 1 192 ? -5.844 12.323 -80.753 1.00 55.38 ? 259 GLU D CB 1 ATOM 10383 C CG . GLU D 1 192 ? -4.818 11.842 -79.734 1.00 66.25 ? 259 GLU D CG 1 ATOM 10384 C CD . GLU D 1 192 ? -3.460 11.646 -80.376 1.00 73.65 ? 259 GLU D CD 1 ATOM 10385 O OE1 . GLU D 1 192 ? -3.274 10.672 -81.142 1.00 88.67 ? 259 GLU D OE1 1 ATOM 10386 O OE2 . GLU D 1 192 ? -2.585 12.487 -80.158 1.00 79.63 ? 259 GLU D OE2 1 ATOM 10387 N N . GLY D 1 193 ? -9.355 13.430 -80.818 1.00 44.33 ? 260 GLY D N 1 ATOM 10388 C CA . GLY D 1 193 ? -10.313 14.159 -81.612 1.00 40.89 ? 260 GLY D CA 1 ATOM 10389 C C . GLY D 1 193 ? -10.820 13.509 -82.875 1.00 43.95 ? 260 GLY D C 1 ATOM 10390 O O . GLY D 1 193 ? -11.739 14.054 -83.484 1.00 42.91 ? 260 GLY D O 1 ATOM 10391 N N . LYS D 1 194 ? -10.211 12.396 -83.296 1.00 46.42 ? 261 LYS D N 1 ATOM 10392 C CA . LYS D 1 194 ? -10.660 11.642 -84.449 1.00 48.12 ? 261 LYS D CA 1 ATOM 10393 C C . LYS D 1 194 ? -11.703 10.604 -84.049 1.00 42.70 ? 261 LYS D C 1 ATOM 10394 O O . LYS D 1 194 ? -11.498 9.776 -83.153 1.00 39.43 ? 261 LYS D O 1 ATOM 10395 C CB . LYS D 1 194 ? -9.483 10.924 -85.129 1.00 55.75 ? 261 LYS D CB 1 ATOM 10396 C CG . LYS D 1 194 ? -9.063 11.552 -86.429 1.00 70.67 ? 261 LYS D CG 1 ATOM 10397 C CD . LYS D 1 194 ? -8.509 12.953 -86.264 1.00 79.65 ? 261 LYS D CD 1 ATOM 10398 C CE . LYS D 1 194 ? -7.934 13.425 -87.604 1.00 80.32 ? 261 LYS D CE 1 ATOM 10399 N NZ . LYS D 1 194 ? -7.365 14.789 -87.466 1.00 73.28 ? 261 LYS D NZ 1 ATOM 10400 N N . ILE D 1 195 ? -12.783 10.576 -84.793 1.00 39.27 ? 262 ILE D N 1 ATOM 10401 C CA . ILE D 1 195 ? -13.779 9.535 -84.593 1.00 39.79 ? 262 ILE D CA 1 ATOM 10402 C C . ILE D 1 195 ? -13.269 8.210 -85.114 1.00 42.43 ? 262 ILE D C 1 ATOM 10403 O O . ILE D 1 195 ? -13.018 8.081 -86.273 1.00 39.10 ? 262 ILE D O 1 ATOM 10404 C CB . ILE D 1 195 ? -15.055 9.852 -85.311 1.00 40.21 ? 262 ILE D CB 1 ATOM 10405 C CG1 . ILE D 1 195 ? -15.585 11.176 -84.787 1.00 44.48 ? 262 ILE D CG1 1 ATOM 10406 C CG2 . ILE D 1 195 ? -16.091 8.767 -85.059 1.00 45.78 ? 262 ILE D CG2 1 ATOM 10407 C CD1 . ILE D 1 195 ? -16.694 11.757 -85.626 1.00 52.10 ? 262 ILE D CD1 1 ATOM 10408 N N . VAL D 1 196 ? -13.133 7.214 -84.254 1.00 46.21 ? 263 VAL D N 1 ATOM 10409 C CA . VAL D 1 196 ? -12.598 5.946 -84.710 1.00 46.29 ? 263 VAL D CA 1 ATOM 10410 C C . VAL D 1 196 ? -13.661 4.900 -84.829 1.00 44.46 ? 263 VAL D C 1 ATOM 10411 O O . VAL D 1 196 ? -13.447 3.929 -85.490 1.00 38.78 ? 263 VAL D O 1 ATOM 10412 C CB . VAL D 1 196 ? -11.422 5.419 -83.874 1.00 46.69 ? 263 VAL D CB 1 ATOM 10413 C CG1 . VAL D 1 196 ? -10.246 6.366 -83.977 1.00 45.75 ? 263 VAL D CG1 1 ATOM 10414 C CG2 . VAL D 1 196 ? -11.814 5.188 -82.410 1.00 51.12 ? 263 VAL D CG2 1 ATOM 10415 N N . HIS D 1 197 ? -14.798 5.081 -84.178 1.00 47.50 ? 264 HIS D N 1 ATOM 10416 C CA . HIS D 1 197 ? -15.895 4.111 -84.303 1.00 45.77 ? 264 HIS D CA 1 ATOM 10417 C C . HIS D 1 197 ? -17.169 4.736 -83.823 1.00 42.73 ? 264 HIS D C 1 ATOM 10418 O O . HIS D 1 197 ? -17.148 5.580 -82.927 1.00 49.11 ? 264 HIS D O 1 ATOM 10419 C CB . HIS D 1 197 ? -15.591 2.852 -83.462 1.00 50.78 ? 264 HIS D CB 1 ATOM 10420 C CG . HIS D 1 197 ? -16.484 1.692 -83.752 1.00 51.85 ? 264 HIS D CG 1 ATOM 10421 N ND1 . HIS D 1 197 ? -17.601 1.406 -82.995 1.00 55.85 ? 264 HIS D ND1 1 ATOM 10422 C CD2 . HIS D 1 197 ? -16.449 0.773 -84.743 1.00 53.85 ? 264 HIS D CD2 1 ATOM 10423 C CE1 . HIS D 1 197 ? -18.212 0.355 -83.502 1.00 53.07 ? 264 HIS D CE1 1 ATOM 10424 N NE2 . HIS D 1 197 ? -17.525 -0.052 -84.556 1.00 54.31 ? 264 HIS D NE2 1 ATOM 10425 N N . ILE D 1 198 ? -18.268 4.292 -84.396 1.00 41.23 ? 265 ILE D N 1 ATOM 10426 C CA . ILE D 1 198 ? -19.594 4.638 -83.949 1.00 46.02 ? 265 ILE D CA 1 ATOM 10427 C C . ILE D 1 198 ? -20.465 3.410 -83.752 1.00 46.12 ? 265 ILE D C 1 ATOM 10428 O O . ILE D 1 198 ? -20.585 2.616 -84.647 1.00 46.84 ? 265 ILE D O 1 ATOM 10429 C CB . ILE D 1 198 ? -20.279 5.531 -85.003 1.00 47.76 ? 265 ILE D CB 1 ATOM 10430 C CG1 . ILE D 1 198 ? -19.356 6.705 -85.303 1.00 48.81 ? 265 ILE D CG1 1 ATOM 10431 C CG2 . ILE D 1 198 ? -21.646 6.003 -84.484 1.00 47.00 ? 265 ILE D CG2 1 ATOM 10432 C CD1 . ILE D 1 198 ? -20.005 7.849 -86.032 1.00 52.12 ? 265 ILE D CD1 1 ATOM 10433 N N . SER D 1 199 ? -21.069 3.251 -82.570 1.00 46.20 ? 266 SER D N 1 ATOM 10434 C CA . SER D 1 199 ? -21.909 2.093 -82.296 1.00 44.54 ? 266 SER D CA 1 ATOM 10435 C C . SER D 1 199 ? -23.324 2.530 -82.121 1.00 45.60 ? 266 SER D C 1 ATOM 10436 O O . SER D 1 199 ? -23.565 3.531 -81.477 1.00 44.94 ? 266 SER D O 1 ATOM 10437 C CB . SER D 1 199 ? -21.511 1.362 -81.013 1.00 43.26 ? 266 SER D CB 1 ATOM 10438 O OG . SER D 1 199 ? -20.214 0.829 -81.083 1.00 44.62 ? 266 SER D OG 1 ATOM 10439 N N . PRO D 1 200 ? -24.264 1.743 -82.647 1.00 46.44 ? 267 PRO D N 1 ATOM 10440 C CA . PRO D 1 200 ? -25.656 2.030 -82.354 1.00 48.39 ? 267 PRO D CA 1 ATOM 10441 C C . PRO D 1 200 ? -26.014 1.660 -80.937 1.00 42.57 ? 267 PRO D C 1 ATOM 10442 O O . PRO D 1 200 ? -25.408 0.797 -80.311 1.00 44.73 ? 267 PRO D O 1 ATOM 10443 C CB . PRO D 1 200 ? -26.415 1.140 -83.327 1.00 45.89 ? 267 PRO D CB 1 ATOM 10444 C CG . PRO D 1 200 ? -25.529 -0.018 -83.537 1.00 45.74 ? 267 PRO D CG 1 ATOM 10445 C CD . PRO D 1 200 ? -24.092 0.485 -83.387 1.00 44.81 ? 267 PRO D CD 1 ATOM 10446 N N . LEU D 1 201 ? -26.997 2.360 -80.407 1.00 46.48 ? 268 LEU D N 1 ATOM 10447 C CA . LEU D 1 201 ? -27.578 1.972 -79.130 1.00 45.56 ? 268 LEU D CA 1 ATOM 10448 C C . LEU D 1 201 ? -28.132 0.576 -79.217 1.00 46.24 ? 268 LEU D C 1 ATOM 10449 O O . LEU D 1 201 ? -28.780 0.220 -80.167 1.00 57.27 ? 268 LEU D O 1 ATOM 10450 C CB . LEU D 1 201 ? -28.699 2.898 -78.751 1.00 47.70 ? 268 LEU D CB 1 ATOM 10451 C CG . LEU D 1 201 ? -29.421 2.538 -77.451 1.00 50.21 ? 268 LEU D CG 1 ATOM 10452 C CD1 . LEU D 1 201 ? -28.490 2.748 -76.266 1.00 48.71 ? 268 LEU D CD1 1 ATOM 10453 C CD2 . LEU D 1 201 ? -30.693 3.399 -77.308 1.00 53.52 ? 268 LEU D CD2 1 ATOM 10454 N N . SER D 1 202 ? -27.926 -0.188 -78.184 1.00 50.45 ? 269 SER D N 1 ATOM 10455 C CA . SER D 1 202 ? -28.479 -1.498 -78.108 1.00 51.54 ? 269 SER D CA 1 ATOM 10456 C C . SER D 1 202 ? -29.020 -1.750 -76.644 1.00 51.11 ? 269 SER D C 1 ATOM 10457 O O . SER D 1 202 ? -28.700 -1.007 -75.694 1.00 45.66 ? 269 SER D O 1 ATOM 10458 C CB . SER D 1 202 ? -27.353 -2.368 -78.544 1.00 55.39 ? 269 SER D CB 1 ATOM 10459 O OG . SER D 1 202 ? -27.715 -3.669 -78.553 1.00 62.15 ? 269 SER D OG 1 ATOM 10460 N N . GLY D 1 203 ? -29.884 -2.742 -76.481 1.00 46.94 ? 270 GLY D N 1 ATOM 10461 C CA . GLY D 1 203 ? -30.545 -3.031 -75.174 1.00 43.83 ? 270 GLY D CA 1 ATOM 10462 C C . GLY D 1 203 ? -31.960 -2.452 -75.118 1.00 47.81 ? 270 GLY D C 1 ATOM 10463 O O . GLY D 1 203 ? -32.582 -2.247 -76.144 1.00 46.07 ? 270 GLY D O 1 ATOM 10464 N N . SER D 1 204 ? -32.500 -2.193 -73.939 1.00 47.09 ? 271 SER D N 1 ATOM 10465 C CA . SER D 1 204 ? -33.950 -1.872 -73.854 1.00 49.78 ? 271 SER D CA 1 ATOM 10466 C C . SER D 1 204 ? -34.317 -0.386 -73.590 1.00 49.76 ? 271 SER D C 1 ATOM 10467 O O . SER D 1 204 ? -35.477 -0.038 -73.489 1.00 54.52 ? 271 SER D O 1 ATOM 10468 C CB . SER D 1 204 ? -34.611 -2.766 -72.776 1.00 50.02 ? 271 SER D CB 1 ATOM 10469 O OG . SER D 1 204 ? -34.046 -2.581 -71.479 1.00 48.69 ? 271 SER D OG 1 ATOM 10470 N N . ALA D 1 205 ? -33.337 0.479 -73.458 1.00 46.95 ? 272 ALA D N 1 ATOM 10471 C CA . ALA D 1 205 ? -33.598 1.909 -73.246 1.00 49.48 ? 272 ALA D CA 1 ATOM 10472 C C . ALA D 1 205 ? -34.141 2.562 -74.489 1.00 50.10 ? 272 ALA D C 1 ATOM 10473 O O . ALA D 1 205 ? -33.720 2.192 -75.603 1.00 52.74 ? 272 ALA D O 1 ATOM 10474 C CB . ALA D 1 205 ? -32.324 2.597 -72.891 1.00 48.45 ? 272 ALA D CB 1 ATOM 10475 N N . GLN D 1 206 ? -35.079 3.494 -74.358 1.00 46.11 ? 273 GLN D N 1 ATOM 10476 C CA . GLN D 1 206 ? -35.846 3.848 -75.561 1.00 60.82 ? 273 GLN D CA 1 ATOM 10477 C C . GLN D 1 206 ? -35.725 5.246 -76.110 1.00 65.86 ? 273 GLN D C 1 ATOM 10478 O O . GLN D 1 206 ? -35.820 5.376 -77.361 1.00 96.62 ? 273 GLN D O 1 ATOM 10479 C CB . GLN D 1 206 ? -37.342 3.464 -75.437 1.00 54.89 ? 273 GLN D CB 1 ATOM 10480 C CG . GLN D 1 206 ? -37.578 1.993 -75.724 1.00 62.94 ? 273 GLN D CG 1 ATOM 10481 C CD . GLN D 1 206 ? -38.981 1.596 -75.389 1.00 66.12 ? 273 GLN D CD 1 ATOM 10482 O OE1 . GLN D 1 206 ? -39.215 0.597 -74.704 1.00 79.56 ? 273 GLN D OE1 1 ATOM 10483 N NE2 . GLN D 1 206 ? -39.934 2.376 -75.860 1.00 71.39 ? 273 GLN D NE2 1 ATOM 10484 N N . HIS D 1 207 ? -35.603 6.267 -75.265 1.00 52.80 ? 274 HIS D N 1 ATOM 10485 C CA . HIS D 1 207 ? -35.630 7.654 -75.852 1.00 51.14 ? 274 HIS D CA 1 ATOM 10486 C C . HIS D 1 207 ? -34.649 8.698 -75.209 1.00 50.92 ? 274 HIS D C 1 ATOM 10487 O O . HIS D 1 207 ? -35.044 9.830 -74.641 1.00 40.42 ? 274 HIS D O 1 ATOM 10488 C CB . HIS D 1 207 ? -36.976 8.341 -75.687 1.00 44.88 ? 274 HIS D CB 1 ATOM 10489 C CG . HIS D 1 207 ? -38.125 7.738 -76.398 1.00 51.50 ? 274 HIS D CG 1 ATOM 10490 N ND1 . HIS D 1 207 ? -38.836 6.649 -75.919 1.00 61.88 ? 274 HIS D ND1 1 ATOM 10491 C CD2 . HIS D 1 207 ? -38.768 8.141 -77.516 1.00 49.69 ? 274 HIS D CD2 1 ATOM 10492 C CE1 . HIS D 1 207 ? -39.798 6.344 -76.776 1.00 52.13 ? 274 HIS D CE1 1 ATOM 10493 N NE2 . HIS D 1 207 ? -39.789 7.245 -77.736 1.00 47.77 ? 274 HIS D NE2 1 ATOM 10494 N N . ILE D 1 208 ? -33.408 8.394 -75.481 1.00 45.36 ? 275 ILE D N 1 ATOM 10495 C CA . ILE D 1 208 ? -32.258 8.761 -74.679 1.00 51.14 ? 275 ILE D CA 1 ATOM 10496 C C . ILE D 1 208 ? -31.870 10.173 -75.070 1.00 50.85 ? 275 ILE D C 1 ATOM 10497 O O . ILE D 1 208 ? -31.690 10.454 -76.264 1.00 42.89 ? 275 ILE D O 1 ATOM 10498 C CB . ILE D 1 208 ? -31.051 7.890 -75.014 1.00 49.44 ? 275 ILE D CB 1 ATOM 10499 C CG1 . ILE D 1 208 ? -31.308 6.424 -74.663 1.00 54.01 ? 275 ILE D CG1 1 ATOM 10500 C CG2 . ILE D 1 208 ? -29.784 8.478 -74.382 1.00 50.56 ? 275 ILE D CG2 1 ATOM 10501 C CD1 . ILE D 1 208 ? -30.776 6.005 -73.330 1.00 68.05 ? 275 ILE D CD1 1 ATOM 10502 N N . GLU D 1 209 ? -31.678 10.996 -74.050 1.00 46.52 ? 276 GLU D N 1 ATOM 10503 C CA . GLU D 1 209 ? -31.206 12.380 -74.174 1.00 48.76 ? 276 GLU D CA 1 ATOM 10504 C C . GLU D 1 209 ? -30.245 12.652 -72.996 1.00 46.41 ? 276 GLU D C 1 ATOM 10505 O O . GLU D 1 209 ? -30.395 12.096 -71.846 1.00 41.86 ? 276 GLU D O 1 ATOM 10506 C CB . GLU D 1 209 ? -32.383 13.334 -73.996 1.00 58.94 ? 276 GLU D CB 1 ATOM 10507 C CG . GLU D 1 209 ? -32.957 14.152 -75.135 1.00 68.62 ? 276 GLU D CG 1 ATOM 10508 C CD . GLU D 1 209 ? -32.779 13.610 -76.536 1.00 83.78 ? 276 GLU D CD 1 ATOM 10509 O OE1 . GLU D 1 209 ? -31.917 14.158 -77.298 1.00 88.28 ? 276 GLU D OE1 1 ATOM 10510 O OE2 . GLU D 1 209 ? -33.552 12.692 -76.878 1.00 93.27 ? 276 GLU D OE2 1 ATOM 10511 N N . GLU D 1 210 ? -29.286 13.536 -73.244 1.00 40.78 ? 277 GLU D N 1 ATOM 10512 C CA . GLU D 1 210 ? -28.555 14.235 -72.157 1.00 39.57 ? 277 GLU D CA 1 ATOM 10513 C C . GLU D 1 210 ? -27.966 13.289 -71.080 1.00 42.62 ? 277 GLU D C 1 ATOM 10514 O O . GLU D 1 210 ? -28.193 13.463 -69.866 1.00 35.44 ? 277 GLU D O 1 ATOM 10515 C CB . GLU D 1 210 ? -29.480 15.299 -71.519 1.00 38.83 ? 277 GLU D CB 1 ATOM 10516 C CG . GLU D 1 210 ? -29.845 16.406 -72.537 1.00 38.57 ? 277 GLU D CG 1 ATOM 10517 C CD . GLU D 1 210 ? -30.949 17.320 -72.094 1.00 38.93 ? 277 GLU D CD 1 ATOM 10518 O OE1 . GLU D 1 210 ? -31.646 16.976 -71.112 1.00 47.81 ? 277 GLU D OE1 1 ATOM 10519 O OE2 . GLU D 1 210 ? -31.161 18.403 -72.729 1.00 50.22 ? 277 GLU D OE2 1 ATOM 10520 N N . CYS D 1 211 ? -27.196 12.302 -71.543 1.00 38.92 ? 278 CYS D N 1 ATOM 10521 C CA . CYS D 1 211 ? -26.581 11.374 -70.633 1.00 40.92 ? 278 CYS D CA 1 ATOM 10522 C C . CYS D 1 211 ? -25.584 12.033 -69.662 1.00 39.89 ? 278 CYS D C 1 ATOM 10523 O O . CYS D 1 211 ? -24.779 12.860 -70.090 1.00 41.22 ? 278 CYS D O 1 ATOM 10524 C CB . CYS D 1 211 ? -25.896 10.304 -71.460 1.00 45.59 ? 278 CYS D CB 1 ATOM 10525 S SG . CYS D 1 211 ? -27.082 9.257 -72.320 1.00 48.15 ? 278 CYS D SG 1 ATOM 10526 N N . SER D 1 212 ? -25.694 11.684 -68.376 1.00 35.90 ? 279 SER D N 1 ATOM 10527 C CA . SER D 1 212 ? -24.638 11.895 -67.380 1.00 37.75 ? 279 SER D CA 1 ATOM 10528 C C . SER D 1 212 ? -23.835 10.623 -67.168 1.00 34.33 ? 279 SER D C 1 ATOM 10529 O O . SER D 1 212 ? -24.324 9.665 -66.631 1.00 37.26 ? 279 SER D O 1 ATOM 10530 C CB . SER D 1 212 ? -25.207 12.324 -66.047 1.00 39.25 ? 279 SER D CB 1 ATOM 10531 O OG . SER D 1 212 ? -26.162 13.332 -66.215 1.00 42.37 ? 279 SER D OG 1 ATOM 10532 N N . CYS D 1 213 ? -22.595 10.661 -67.619 1.00 38.61 ? 280 CYS D N 1 ATOM 10533 C CA . CYS D 1 213 ? -21.719 9.515 -67.729 1.00 33.06 ? 280 CYS D CA 1 ATOM 10534 C C . CYS D 1 213 ? -20.568 9.593 -66.746 1.00 33.74 ? 280 CYS D C 1 ATOM 10535 O O . CYS D 1 213 ? -20.114 10.692 -66.336 1.00 35.96 ? 280 CYS D O 1 ATOM 10536 C CB . CYS D 1 213 ? -21.143 9.420 -69.146 1.00 36.65 ? 280 CYS D CB 1 ATOM 10537 S SG . CYS D 1 213 ? -22.381 9.233 -70.499 1.00 37.88 ? 280 CYS D SG 1 ATOM 10538 N N . TYR D 1 214 ? -20.052 8.412 -66.407 1.00 32.99 ? 281 TYR D N 1 ATOM 10539 C CA . TYR D 1 214 ? -18.958 8.304 -65.517 1.00 36.36 ? 281 TYR D CA 1 ATOM 10540 C C . TYR D 1 214 ? -18.120 7.076 -65.778 1.00 37.32 ? 281 TYR D C 1 ATOM 10541 O O . TYR D 1 214 ? -18.615 6.073 -66.281 1.00 36.76 ? 281 TYR D O 1 ATOM 10542 C CB . TYR D 1 214 ? -19.458 8.310 -64.045 1.00 35.68 ? 281 TYR D CB 1 ATOM 10543 C CG . TYR D 1 214 ? -20.406 7.217 -63.639 1.00 37.47 ? 281 TYR D CG 1 ATOM 10544 C CD1 . TYR D 1 214 ? -19.937 6.051 -63.030 1.00 40.39 ? 281 TYR D CD1 1 ATOM 10545 C CD2 . TYR D 1 214 ? -21.797 7.359 -63.788 1.00 39.04 ? 281 TYR D CD2 1 ATOM 10546 C CE1 . TYR D 1 214 ? -20.823 5.080 -62.566 1.00 41.34 ? 281 TYR D CE1 1 ATOM 10547 C CE2 . TYR D 1 214 ? -22.688 6.359 -63.374 1.00 39.20 ? 281 TYR D CE2 1 ATOM 10548 C CZ . TYR D 1 214 ? -22.206 5.226 -62.760 1.00 42.61 ? 281 TYR D CZ 1 ATOM 10549 O OH . TYR D 1 214 ? -23.063 4.243 -62.321 1.00 42.74 ? 281 TYR D OH 1 ATOM 10550 N N . PRO D 1 215 ? -16.833 7.161 -65.393 1.00 38.74 ? 282 PRO D N 1 ATOM 10551 C CA . PRO D 1 215 ? -15.952 6.039 -65.569 1.00 41.56 ? 282 PRO D CA 1 ATOM 10552 C C . PRO D 1 215 ? -16.198 5.008 -64.481 1.00 40.85 ? 282 PRO D C 1 ATOM 10553 O O . PRO D 1 215 ? -16.436 5.364 -63.328 1.00 40.57 ? 282 PRO D O 1 ATOM 10554 C CB . PRO D 1 215 ? -14.581 6.665 -65.485 1.00 38.49 ? 282 PRO D CB 1 ATOM 10555 C CG . PRO D 1 215 ? -14.756 7.885 -64.643 1.00 38.72 ? 282 PRO D CG 1 ATOM 10556 C CD . PRO D 1 215 ? -16.124 8.369 -64.935 1.00 38.98 ? 282 PRO D CD 1 ATOM 10557 N N . ARG D 1 216 ? -16.222 3.761 -64.930 1.00 39.94 ? 283 ARG D N 1 ATOM 10558 C CA . ARG D 1 216 ? -16.405 2.626 -64.094 1.00 41.42 ? 283 ARG D CA 1 ATOM 10559 C C . ARG D 1 216 ? -15.507 1.560 -64.689 1.00 40.50 ? 283 ARG D C 1 ATOM 10560 O O . ARG D 1 216 ? -15.950 0.599 -65.315 1.00 42.60 ? 283 ARG D O 1 ATOM 10561 C CB . ARG D 1 216 ? -17.860 2.219 -64.115 1.00 45.11 ? 283 ARG D CB 1 ATOM 10562 C CG . ARG D 1 216 ? -18.236 1.194 -63.096 1.00 44.35 ? 283 ARG D CG 1 ATOM 10563 C CD . ARG D 1 216 ? -19.743 1.022 -63.131 1.00 44.94 ? 283 ARG D CD 1 ATOM 10564 N NE . ARG D 1 216 ? -20.154 0.140 -62.051 1.00 51.43 ? 283 ARG D NE 1 ATOM 10565 C CZ . ARG D 1 216 ? -20.025 -1.168 -62.068 1.00 53.18 ? 283 ARG D CZ 1 ATOM 10566 N NH1 . ARG D 1 216 ? -19.540 -1.786 -63.146 1.00 58.21 ? 283 ARG D NH1 1 ATOM 10567 N NH2 . ARG D 1 216 ? -20.427 -1.881 -61.022 1.00 50.76 ? 283 ARG D NH2 1 ATOM 10568 N N . TYR D 1 217 ? -14.221 1.760 -64.446 1.00 44.59 ? 284 TYR D N 1 ATOM 10569 C CA . TYR D 1 217 ? -13.146 1.042 -65.109 1.00 47.22 ? 284 TYR D CA 1 ATOM 10570 C C . TYR D 1 217 ? -13.405 -0.475 -65.160 1.00 48.16 ? 284 TYR D C 1 ATOM 10571 O O . TYR D 1 217 ? -13.830 -1.053 -64.191 1.00 49.02 ? 284 TYR D O 1 ATOM 10572 C CB . TYR D 1 217 ? -11.813 1.338 -64.412 1.00 48.11 ? 284 TYR D CB 1 ATOM 10573 C CG . TYR D 1 217 ? -10.637 0.780 -65.157 1.00 48.43 ? 284 TYR D CG 1 ATOM 10574 C CD1 . TYR D 1 217 ? -10.024 1.528 -66.161 1.00 50.73 ? 284 TYR D CD1 1 ATOM 10575 C CD2 . TYR D 1 217 ? -10.155 -0.494 -64.891 1.00 48.12 ? 284 TYR D CD2 1 ATOM 10576 C CE1 . TYR D 1 217 ? -8.967 1.020 -66.878 1.00 51.95 ? 284 TYR D CE1 1 ATOM 10577 C CE2 . TYR D 1 217 ? -9.097 -1.020 -65.605 1.00 47.69 ? 284 TYR D CE2 1 ATOM 10578 C CZ . TYR D 1 217 ? -8.507 -0.255 -66.596 1.00 53.68 ? 284 TYR D CZ 1 ATOM 10579 O OH . TYR D 1 217 ? -7.467 -0.748 -67.331 1.00 55.67 ? 284 TYR D OH 1 ATOM 10580 N N . PRO D 1 218 ? -13.178 -1.105 -66.309 1.00 48.06 ? 285 PRO D N 1 ATOM 10581 C CA . PRO D 1 218 ? -12.625 -0.593 -67.580 1.00 48.43 ? 285 PRO D CA 1 ATOM 10582 C C . PRO D 1 218 ? -13.669 0.015 -68.490 1.00 45.82 ? 285 PRO D C 1 ATOM 10583 O O . PRO D 1 218 ? -13.355 0.360 -69.631 1.00 46.46 ? 285 PRO D O 1 ATOM 10584 C CB . PRO D 1 218 ? -12.082 -1.865 -68.245 1.00 47.44 ? 285 PRO D CB 1 ATOM 10585 C CG . PRO D 1 218 ? -13.053 -2.906 -67.808 1.00 47.32 ? 285 PRO D CG 1 ATOM 10586 C CD . PRO D 1 218 ? -13.506 -2.529 -66.405 1.00 46.95 ? 285 PRO D CD 1 ATOM 10587 N N . ASP D 1 219 ? -14.895 0.157 -68.005 1.00 47.34 ? 286 ASP D N 1 ATOM 10588 C CA . ASP D 1 219 ? -15.968 0.678 -68.830 1.00 45.78 ? 286 ASP D CA 1 ATOM 10589 C C . ASP D 1 219 ? -16.474 2.053 -68.450 1.00 45.30 ? 286 ASP D C 1 ATOM 10590 O O . ASP D 1 219 ? -15.892 2.756 -67.614 1.00 44.84 ? 286 ASP D O 1 ATOM 10591 C CB . ASP D 1 219 ? -17.055 -0.352 -68.825 1.00 51.24 ? 286 ASP D CB 1 ATOM 10592 C CG . ASP D 1 219 ? -16.529 -1.708 -69.383 1.00 67.80 ? 286 ASP D CG 1 ATOM 10593 O OD1 . ASP D 1 219 ? -15.835 -1.743 -70.460 1.00 67.98 ? 286 ASP D OD1 1 ATOM 10594 O OD2 . ASP D 1 219 ? -16.764 -2.717 -68.714 1.00 73.70 ? 286 ASP D OD2 1 ATOM 10595 N N . VAL D 1 220 ? -17.519 2.475 -69.155 1.00 40.18 ? 287 VAL D N 1 ATOM 10596 C CA . VAL D 1 220 ? -18.201 3.716 -68.900 1.00 37.50 ? 287 VAL D CA 1 ATOM 10597 C C . VAL D 1 220 ? -19.699 3.443 -68.740 1.00 36.74 ? 287 VAL D C 1 ATOM 10598 O O . VAL D 1 220 ? -20.245 2.584 -69.386 1.00 36.46 ? 287 VAL D O 1 ATOM 10599 C CB . VAL D 1 220 ? -17.997 4.706 -70.040 1.00 38.39 ? 287 VAL D CB 1 ATOM 10600 C CG1 . VAL D 1 220 ? -18.871 5.936 -69.823 1.00 37.38 ? 287 VAL D CG1 1 ATOM 10601 C CG2 . VAL D 1 220 ? -16.556 5.126 -70.107 1.00 36.98 ? 287 VAL D CG2 1 ATOM 10602 N N . ARG D 1 221 ? -20.334 4.171 -67.847 1.00 37.45 ? 288 ARG D N 1 ATOM 10603 C CA . ARG D 1 221 ? -21.740 3.988 -67.535 1.00 38.42 ? 288 ARG D CA 1 ATOM 10604 C C . ARG D 1 221 ? -22.410 5.351 -67.508 1.00 40.83 ? 288 ARG D C 1 ATOM 10605 O O . ARG D 1 221 ? -21.845 6.320 -67.001 1.00 35.95 ? 288 ARG D O 1 ATOM 10606 C CB . ARG D 1 221 ? -21.892 3.329 -66.175 1.00 41.41 ? 288 ARG D CB 1 ATOM 10607 C CG . ARG D 1 221 ? -23.325 3.161 -65.703 1.00 46.31 ? 288 ARG D CG 1 ATOM 10608 C CD . ARG D 1 221 ? -23.403 2.134 -64.591 1.00 46.94 ? 288 ARG D CD 1 ATOM 10609 N NE . ARG D 1 221 ? -23.369 0.780 -65.076 1.00 49.56 ? 288 ARG D NE 1 ATOM 10610 C CZ . ARG D 1 221 ? -23.308 -0.323 -64.317 1.00 49.02 ? 288 ARG D CZ 1 ATOM 10611 N NH1 . ARG D 1 221 ? -23.240 -0.265 -63.016 1.00 54.97 ? 288 ARG D NH1 1 ATOM 10612 N NH2 . ARG D 1 221 ? -23.323 -1.511 -64.894 1.00 45.27 ? 288 ARG D NH2 1 ATOM 10613 N N . CYS D 1 222 ? -23.604 5.414 -68.080 1.00 43.16 ? 289 CYS D N 1 ATOM 10614 C CA . CYS D 1 222 ? -24.361 6.658 -68.211 1.00 40.09 ? 289 CYS D CA 1 ATOM 10615 C C . CYS D 1 222 ? -25.754 6.483 -67.665 1.00 37.44 ? 289 CYS D C 1 ATOM 10616 O O . CYS D 1 222 ? -26.357 5.435 -67.846 1.00 40.57 ? 289 CYS D O 1 ATOM 10617 C CB . CYS D 1 222 ? -24.476 7.061 -69.675 1.00 40.95 ? 289 CYS D CB 1 ATOM 10618 S SG . CYS D 1 222 ? -22.914 7.194 -70.599 1.00 44.81 ? 289 CYS D SG 1 ATOM 10619 N N . VAL D 1 223 ? -26.268 7.516 -67.004 1.00 39.47 ? 290 VAL D N 1 ATOM 10620 C CA . VAL D 1 223 ? -27.654 7.592 -66.621 1.00 35.18 ? 290 VAL D CA 1 ATOM 10621 C C . VAL D 1 223 ? -28.216 8.771 -67.329 1.00 36.88 ? 290 VAL D C 1 ATOM 10622 O O . VAL D 1 223 ? -27.647 9.847 -67.294 1.00 38.15 ? 290 VAL D O 1 ATOM 10623 C CB . VAL D 1 223 ? -27.806 7.707 -65.109 1.00 37.92 ? 290 VAL D CB 1 ATOM 10624 C CG1 . VAL D 1 223 ? -29.249 7.891 -64.702 1.00 34.73 ? 290 VAL D CG1 1 ATOM 10625 C CG2 . VAL D 1 223 ? -27.238 6.473 -64.419 1.00 36.40 ? 290 VAL D CG2 1 ATOM 10626 N N . CYS D 1 224 ? -29.377 8.583 -67.968 1.00 38.95 ? 291 CYS D N 1 ATOM 10627 C CA . CYS D 1 224 ? -29.876 9.546 -68.940 1.00 40.10 ? 291 CYS D CA 1 ATOM 10628 C C . CYS D 1 224 ? -31.282 10.058 -68.630 1.00 36.71 ? 291 CYS D C 1 ATOM 10629 O O . CYS D 1 224 ? -31.837 9.853 -67.549 1.00 40.15 ? 291 CYS D O 1 ATOM 10630 C CB . CYS D 1 224 ? -29.732 8.949 -70.415 1.00 40.24 ? 291 CYS D CB 1 ATOM 10631 S SG . CYS D 1 224 ? -28.134 8.119 -70.734 1.00 45.02 ? 291 CYS D SG 1 ATOM 10632 N N . ARG D 1 225 ? -31.835 10.741 -69.622 1.00 35.93 ? 292 ARG D N 1 ATOM 10633 C CA . ARG D 1 225 ? -33.170 11.257 -69.619 1.00 36.65 ? 292 ARG D CA 1 ATOM 10634 C C . ARG D 1 225 ? -33.985 10.592 -70.735 1.00 39.51 ? 292 ARG D C 1 ATOM 10635 O O . ARG D 1 225 ? -33.582 10.582 -71.890 1.00 39.09 ? 292 ARG D O 1 ATOM 10636 C CB . ARG D 1 225 ? -33.090 12.739 -69.878 1.00 37.08 ? 292 ARG D CB 1 ATOM 10637 C CG . ARG D 1 225 ? -34.409 13.455 -70.112 1.00 39.60 ? 292 ARG D CG 1 ATOM 10638 C CD . ARG D 1 225 ? -34.112 14.882 -70.515 1.00 40.91 ? 292 ARG D CD 1 ATOM 10639 N NE . ARG D 1 225 ? -35.285 15.596 -70.907 1.00 42.37 ? 292 ARG D NE 1 ATOM 10640 C CZ . ARG D 1 225 ? -35.300 16.886 -71.233 1.00 40.81 ? 292 ARG D CZ 1 ATOM 10641 N NH1 . ARG D 1 225 ? -34.212 17.640 -71.146 1.00 38.43 ? 292 ARG D NH1 1 ATOM 10642 N NH2 . ARG D 1 225 ? -36.440 17.435 -71.607 1.00 37.23 ? 292 ARG D NH2 1 ATOM 10643 N N . ASP D 1 226 ? -35.103 10.002 -70.332 1.00 42.07 ? 293 ASP D N 1 ATOM 10644 C CA . ASP D 1 226 ? -36.161 9.542 -71.203 1.00 36.89 ? 293 ASP D CA 1 ATOM 10645 C C . ASP D 1 226 ? -37.127 10.703 -71.282 1.00 39.54 ? 293 ASP D C 1 ATOM 10646 O O . ASP D 1 226 ? -37.825 11.084 -70.359 1.00 44.04 ? 293 ASP D O 1 ATOM 10647 C CB . ASP D 1 226 ? -36.835 8.275 -70.671 1.00 38.23 ? 293 ASP D CB 1 ATOM 10648 C CG . ASP D 1 226 ? -37.862 7.637 -71.667 1.00 43.55 ? 293 ASP D CG 1 ATOM 10649 O OD1 . ASP D 1 226 ? -38.654 8.385 -72.274 1.00 44.54 ? 293 ASP D OD1 1 ATOM 10650 O OD2 . ASP D 1 226 ? -37.849 6.379 -71.829 1.00 45.55 ? 293 ASP D OD2 1 ATOM 10651 N N . ASN D 1 227 ? -37.158 11.178 -72.486 1.00 42.60 ? 294 ASN D N 1 ATOM 10652 C CA . ASN D 1 227 ? -37.844 12.328 -73.012 1.00 52.42 ? 294 ASN D CA 1 ATOM 10653 C C . ASN D 1 227 ? -39.333 12.166 -73.259 1.00 44.90 ? 294 ASN D C 1 ATOM 10654 O O . ASN D 1 227 ? -40.041 13.123 -73.502 1.00 45.91 ? 294 ASN D O 1 ATOM 10655 C CB . ASN D 1 227 ? -37.197 12.451 -74.405 1.00 63.35 ? 294 ASN D CB 1 ATOM 10656 C CG . ASN D 1 227 ? -37.161 13.804 -74.857 1.00 64.91 ? 294 ASN D CG 1 ATOM 10657 O OD1 . ASN D 1 227 ? -37.165 14.727 -74.034 1.00 97.58 ? 294 ASN D OD1 1 ATOM 10658 N ND2 . ASN D 1 227 ? -37.164 13.984 -76.128 1.00 52.01 ? 294 ASN D ND2 1 ATOM 10659 N N . TRP D 1 228 ? -39.800 10.938 -73.246 1.00 40.99 ? 295 TRP D N 1 ATOM 10660 C CA . TRP D 1 228 ? -41.089 10.640 -73.881 1.00 46.27 ? 295 TRP D CA 1 ATOM 10661 C C . TRP D 1 228 ? -41.968 9.695 -73.082 1.00 44.91 ? 295 TRP D C 1 ATOM 10662 O O . TRP D 1 228 ? -43.138 9.978 -72.918 1.00 52.29 ? 295 TRP D O 1 ATOM 10663 C CB . TRP D 1 228 ? -40.857 10.073 -75.288 1.00 41.60 ? 295 TRP D CB 1 ATOM 10664 C CG . TRP D 1 228 ? -42.015 10.061 -76.122 1.00 42.05 ? 295 TRP D CG 1 ATOM 10665 C CD1 . TRP D 1 228 ? -42.612 8.957 -76.681 1.00 43.57 ? 295 TRP D CD1 1 ATOM 10666 C CD2 . TRP D 1 228 ? -42.776 11.199 -76.550 1.00 42.05 ? 295 TRP D CD2 1 ATOM 10667 N NE1 . TRP D 1 228 ? -43.711 9.347 -77.403 1.00 39.90 ? 295 TRP D NE1 1 ATOM 10668 C CE2 . TRP D 1 228 ? -43.842 10.715 -77.322 1.00 41.80 ? 295 TRP D CE2 1 ATOM 10669 C CE3 . TRP D 1 228 ? -42.674 12.570 -76.335 1.00 46.02 ? 295 TRP D CE3 1 ATOM 10670 C CZ2 . TRP D 1 228 ? -44.808 11.557 -77.881 1.00 46.81 ? 295 TRP D CZ2 1 ATOM 10671 C CZ3 . TRP D 1 228 ? -43.657 13.416 -76.886 1.00 54.89 ? 295 TRP D CZ3 1 ATOM 10672 C CH2 . TRP D 1 228 ? -44.689 12.899 -77.671 1.00 50.49 ? 295 TRP D CH2 1 ATOM 10673 N N . LYS D 1 229 ? -41.442 8.555 -72.645 1.00 44.93 ? 296 LYS D N 1 ATOM 10674 C CA . LYS D 1 229 ? -42.273 7.536 -72.024 1.00 53.91 ? 296 LYS D CA 1 ATOM 10675 C C . LYS D 1 229 ? -41.952 7.146 -70.577 1.00 51.08 ? 296 LYS D C 1 ATOM 10676 O O . LYS D 1 229 ? -42.788 6.537 -69.928 1.00 50.23 ? 296 LYS D O 1 ATOM 10677 C CB . LYS D 1 229 ? -42.280 6.271 -72.858 1.00 62.61 ? 296 LYS D CB 1 ATOM 10678 C CG . LYS D 1 229 ? -42.760 6.513 -74.284 1.00 80.62 ? 296 LYS D CG 1 ATOM 10679 C CD . LYS D 1 229 ? -43.522 5.337 -74.893 1.00 98.52 ? 296 LYS D CD 1 ATOM 10680 C CE . LYS D 1 229 ? -42.590 4.160 -75.172 1.00 103.25 ? 296 LYS D CE 1 ATOM 10681 N NZ . LYS D 1 229 ? -43.343 2.880 -75.300 1.00 112.59 ? 296 LYS D NZ 1 ATOM 10682 N N . GLY D 1 230 ? -40.795 7.506 -70.065 1.00 47.58 ? 297 GLY D N 1 ATOM 10683 C CA . GLY D 1 230 ? -40.393 7.054 -68.720 1.00 45.02 ? 297 GLY D CA 1 ATOM 10684 C C . GLY D 1 230 ? -39.955 8.158 -67.792 1.00 42.26 ? 297 GLY D C 1 ATOM 10685 O O . GLY D 1 230 ? -39.224 9.065 -68.196 1.00 42.37 ? 297 GLY D O 1 ATOM 10686 N N . SER D 1 231 ? -40.491 8.152 -66.585 1.00 38.64 ? 298 SER D N 1 ATOM 10687 C CA . SER D 1 231 ? -39.955 8.989 -65.499 1.00 38.62 ? 298 SER D CA 1 ATOM 10688 C C . SER D 1 231 ? -38.865 8.232 -64.732 1.00 41.66 ? 298 SER D C 1 ATOM 10689 O O . SER D 1 231 ? -38.232 8.785 -63.834 1.00 43.09 ? 298 SER D O 1 ATOM 10690 C CB . SER D 1 231 ? -41.086 9.454 -64.543 1.00 42.09 ? 298 SER D CB 1 ATOM 10691 O OG . SER D 1 231 ? -41.876 8.380 -64.087 1.00 37.77 ? 298 SER D OG 1 ATOM 10692 N N . ASN D 1 232 ? -38.680 6.955 -65.069 1.00 39.39 ? 299 ASN D N 1 ATOM 10693 C CA . ASN D 1 232 ? -37.525 6.237 -64.616 1.00 37.28 ? 299 ASN D CA 1 ATOM 10694 C C . ASN D 1 232 ? -36.397 6.520 -65.628 1.00 43.82 ? 299 ASN D C 1 ATOM 10695 O O . ASN D 1 232 ? -36.647 6.747 -66.812 1.00 44.37 ? 299 ASN D O 1 ATOM 10696 C CB . ASN D 1 232 ? -37.784 4.731 -64.416 1.00 38.24 ? 299 ASN D CB 1 ATOM 10697 C CG . ASN D 1 232 ? -38.419 4.033 -65.644 1.00 39.74 ? 299 ASN D CG 1 ATOM 10698 O OD1 . ASN D 1 232 ? -39.080 4.663 -66.477 1.00 39.70 ? 299 ASN D OD1 1 ATOM 10699 N ND2 . ASN D 1 232 ? -38.269 2.712 -65.714 1.00 35.60 ? 299 ASN D ND2 1 ATOM 10700 N N . ARG D 1 233 ? -35.157 6.550 -65.154 1.00 37.27 ? 300 ARG D N 1 ATOM 10701 C CA . ARG D 1 233 ? -34.053 6.989 -65.974 1.00 36.95 ? 300 ARG D CA 1 ATOM 10702 C C . ARG D 1 233 ? -33.372 5.832 -66.707 1.00 39.32 ? 300 ARG D C 1 ATOM 10703 O O . ARG D 1 233 ? -33.122 4.777 -66.119 1.00 39.69 ? 300 ARG D O 1 ATOM 10704 C CB . ARG D 1 233 ? -33.032 7.736 -65.129 1.00 36.15 ? 300 ARG D CB 1 ATOM 10705 C CG . ARG D 1 233 ? -33.513 9.106 -64.681 1.00 35.67 ? 300 ARG D CG 1 ATOM 10706 C CD . ARG D 1 233 ? -32.363 9.967 -64.179 1.00 35.28 ? 300 ARG D CD 1 ATOM 10707 N NE . ARG D 1 233 ? -32.853 11.297 -63.786 1.00 33.24 ? 300 ARG D NE 1 ATOM 10708 C CZ . ARG D 1 233 ? -33.133 12.269 -64.662 1.00 36.70 ? 300 ARG D CZ 1 ATOM 10709 N NH1 . ARG D 1 233 ? -32.949 12.086 -65.982 1.00 41.10 ? 300 ARG D NH1 1 ATOM 10710 N NH2 . ARG D 1 233 ? -33.573 13.433 -64.238 1.00 35.73 ? 300 ARG D NH2 1 ATOM 10711 N N . PRO D 1 234 ? -33.113 6.002 -68.001 1.00 37.60 ? 301 PRO D N 1 ATOM 10712 C CA . PRO D 1 234 ? -32.328 5.012 -68.749 1.00 41.84 ? 301 PRO D CA 1 ATOM 10713 C C . PRO D 1 234 ? -30.884 4.893 -68.273 1.00 40.87 ? 301 PRO D C 1 ATOM 10714 O O . PRO D 1 234 ? -30.314 5.845 -67.788 1.00 43.08 ? 301 PRO D O 1 ATOM 10715 C CB . PRO D 1 234 ? -32.308 5.535 -70.180 1.00 39.74 ? 301 PRO D CB 1 ATOM 10716 C CG . PRO D 1 234 ? -33.316 6.583 -70.229 1.00 46.23 ? 301 PRO D CG 1 ATOM 10717 C CD . PRO D 1 234 ? -33.506 7.134 -68.840 1.00 43.23 ? 301 PRO D CD 1 ATOM 10718 N N . VAL D 1 235 ? -30.316 3.710 -68.431 1.00 45.01 ? 302 VAL D N 1 ATOM 10719 C CA . VAL D 1 235 ? -28.938 3.460 -68.078 1.00 44.69 ? 302 VAL D CA 1 ATOM 10720 C C . VAL D 1 235 ? -28.293 2.844 -69.304 1.00 42.42 ? 302 VAL D C 1 ATOM 10721 O O . VAL D 1 235 ? -28.781 1.874 -69.848 1.00 46.17 ? 302 VAL D O 1 ATOM 10722 C CB . VAL D 1 235 ? -28.845 2.497 -66.880 1.00 42.30 ? 302 VAL D CB 1 ATOM 10723 C CG1 . VAL D 1 235 ? -27.395 2.300 -66.540 1.00 47.69 ? 302 VAL D CG1 1 ATOM 10724 C CG2 . VAL D 1 235 ? -29.600 3.094 -65.712 1.00 54.16 ? 302 VAL D CG2 1 ATOM 10725 N N . ILE D 1 236 ? -27.143 3.361 -69.669 1.00 39.96 ? 303 ILE D N 1 ATOM 10726 C CA . ILE D 1 236 ? -26.331 2.757 -70.738 1.00 35.88 ? 303 ILE D CA 1 ATOM 10727 C C . ILE D 1 236 ? -24.979 2.311 -70.314 1.00 39.80 ? 303 ILE D C 1 ATOM 10728 O O . ILE D 1 236 ? -24.294 3.049 -69.621 1.00 43.39 ? 303 ILE D O 1 ATOM 10729 C CB . ILE D 1 236 ? -26.154 3.776 -71.853 1.00 30.73 ? 303 ILE D CB 1 ATOM 10730 C CG1 . ILE D 1 236 ? -27.567 4.167 -72.332 1.00 34.62 ? 303 ILE D CG1 1 ATOM 10731 C CG2 . ILE D 1 236 ? -25.441 3.148 -73.067 1.00 33.54 ? 303 ILE D CG2 1 ATOM 10732 C CD1 . ILE D 1 236 ? -27.508 5.415 -73.212 1.00 37.78 ? 303 ILE D CD1 1 ATOM 10733 N N . ASP D 1 237 ? -24.605 1.085 -70.690 1.00 45.81 ? 304 ASP D N 1 ATOM 10734 C CA . ASP D 1 237 ? -23.236 0.549 -70.433 1.00 45.30 ? 304 ASP D CA 1 ATOM 10735 C C . ASP D 1 237 ? -22.438 0.453 -71.704 1.00 48.90 ? 304 ASP D C 1 ATOM 10736 O O . ASP D 1 237 ? -22.912 -0.069 -72.731 1.00 46.50 ? 304 ASP D O 1 ATOM 10737 C CB . ASP D 1 237 ? -23.264 -0.826 -69.795 1.00 51.30 ? 304 ASP D CB 1 ATOM 10738 C CG . ASP D 1 237 ? -23.593 -0.769 -68.300 1.00 56.80 ? 304 ASP D CG 1 ATOM 10739 O OD1 . ASP D 1 237 ? -23.261 0.218 -67.646 1.00 68.35 ? 304 ASP D OD1 1 ATOM 10740 O OD2 . ASP D 1 237 ? -24.200 -1.706 -67.772 1.00 56.97 ? 304 ASP D OD2 1 ATOM 10741 N N . ILE D 1 238 ? -21.207 0.929 -71.610 1.00 44.01 ? 305 ILE D N 1 ATOM 10742 C CA . ILE D 1 238 ? -20.361 1.098 -72.764 1.00 45.41 ? 305 ILE D CA 1 ATOM 10743 C C . ILE D 1 238 ? -19.082 0.361 -72.535 1.00 44.90 ? 305 ILE D C 1 ATOM 10744 O O . ILE D 1 238 ? -18.327 0.704 -71.646 1.00 44.53 ? 305 ILE D O 1 ATOM 10745 C CB . ILE D 1 238 ? -20.025 2.575 -73.005 1.00 44.50 ? 305 ILE D CB 1 ATOM 10746 C CG1 . ILE D 1 238 ? -21.311 3.375 -73.176 1.00 42.39 ? 305 ILE D CG1 1 ATOM 10747 C CG2 . ILE D 1 238 ? -19.119 2.732 -74.213 1.00 44.09 ? 305 ILE D CG2 1 ATOM 10748 C CD1 . ILE D 1 238 ? -21.081 4.845 -73.365 1.00 40.96 ? 305 ILE D CD1 1 ATOM 10749 N N . ASN D 1 239 ? -18.838 -0.633 -73.370 1.00 47.12 ? 306 ASN D N 1 ATOM 10750 C CA . ASN D 1 239 ? -17.623 -1.415 -73.277 1.00 52.51 ? 306 ASN D CA 1 ATOM 10751 C C . ASN D 1 239 ? -16.510 -0.745 -74.083 1.00 53.48 ? 306 ASN D C 1 ATOM 10752 O O . ASN D 1 239 ? -16.588 -0.667 -75.299 1.00 53.59 ? 306 ASN D O 1 ATOM 10753 C CB . ASN D 1 239 ? -17.858 -2.803 -73.853 1.00 53.65 ? 306 ASN D CB 1 ATOM 10754 C CG . ASN D 1 239 ? -16.670 -3.719 -73.644 1.00 53.79 ? 306 ASN D CG 1 ATOM 10755 O OD1 . ASN D 1 239 ? -15.531 -3.413 -74.027 1.00 56.55 ? 306 ASN D OD1 1 ATOM 10756 N ND2 . ASN D 1 239 ? -16.917 -4.829 -72.992 1.00 46.01 ? 306 ASN D ND2 1 ATOM 10757 N N . MET D 1 240 ? -15.468 -0.308 -73.404 1.00 50.43 ? 307 MET D N 1 ATOM 10758 C CA . MET D 1 240 ? -14.450 0.490 -74.048 1.00 52.36 ? 307 MET D CA 1 ATOM 10759 C C . MET D 1 240 ? -13.430 -0.329 -74.810 1.00 57.13 ? 307 MET D C 1 ATOM 10760 O O . MET D 1 240 ? -12.635 0.209 -75.548 1.00 52.67 ? 307 MET D O 1 ATOM 10761 C CB . MET D 1 240 ? -13.743 1.344 -73.026 1.00 49.86 ? 307 MET D CB 1 ATOM 10762 C CG . MET D 1 240 ? -14.677 2.354 -72.385 1.00 56.83 ? 307 MET D CG 1 ATOM 10763 S SD . MET D 1 240 ? -15.267 3.647 -73.503 1.00 55.12 ? 307 MET D SD 1 ATOM 10764 C CE . MET D 1 240 ? -13.840 4.729 -73.625 1.00 60.36 ? 307 MET D CE 1 ATOM 10765 N N . ALA D 1 241 ? -13.468 -1.635 -74.636 1.00 59.42 ? 308 ALA D N 1 ATOM 10766 C CA . ALA D 1 241 ? -12.491 -2.517 -75.249 1.00 60.01 ? 308 ALA D CA 1 ATOM 10767 C C . ALA D 1 241 ? -12.955 -2.987 -76.610 1.00 55.70 ? 308 ALA D C 1 ATOM 10768 O O . ALA D 1 241 ? -12.179 -3.010 -77.535 1.00 63.43 ? 308 ALA D O 1 ATOM 10769 C CB . ALA D 1 241 ? -12.211 -3.731 -74.315 1.00 48.02 ? 308 ALA D CB 1 ATOM 10770 N N . ASP D 1 242 ? -14.220 -3.350 -76.724 1.00 56.56 ? 309 ASP D N 1 ATOM 10771 C CA . ASP D 1 242 ? -14.765 -3.860 -78.014 1.00 52.65 ? 309 ASP D CA 1 ATOM 10772 C C . ASP D 1 242 ? -15.930 -3.035 -78.579 1.00 50.73 ? 309 ASP D C 1 ATOM 10773 O O . ASP D 1 242 ? -16.565 -3.433 -79.563 1.00 44.54 ? 309 ASP D O 1 ATOM 10774 C CB . ASP D 1 242 ? -15.176 -5.330 -77.860 1.00 55.97 ? 309 ASP D CB 1 ATOM 10775 C CG . ASP D 1 242 ? -16.438 -5.530 -76.981 1.00 66.52 ? 309 ASP D CG 1 ATOM 10776 O OD1 . ASP D 1 242 ? -17.107 -4.567 -76.546 1.00 74.02 ? 309 ASP D OD1 1 ATOM 10777 O OD2 . ASP D 1 242 ? -16.785 -6.689 -76.727 1.00 71.42 ? 309 ASP D OD2 1 ATOM 10778 N N . TYR D 1 243 ? -16.242 -1.904 -77.935 1.00 50.74 ? 310 TYR D N 1 ATOM 10779 C CA . TYR D 1 243 ? -17.269 -0.961 -78.441 1.00 53.84 ? 310 TYR D CA 1 ATOM 10780 C C . TYR D 1 243 ? -18.721 -1.445 -78.401 1.00 48.11 ? 310 TYR D C 1 ATOM 10781 O O . TYR D 1 243 ? -19.577 -0.841 -79.021 1.00 49.69 ? 310 TYR D O 1 ATOM 10782 C CB . TYR D 1 243 ? -16.966 -0.529 -79.896 1.00 55.08 ? 310 TYR D CB 1 ATOM 10783 C CG . TYR D 1 243 ? -15.595 0.030 -80.103 1.00 49.88 ? 310 TYR D CG 1 ATOM 10784 C CD1 . TYR D 1 243 ? -15.016 0.857 -79.147 1.00 52.97 ? 310 TYR D CD1 1 ATOM 10785 C CD2 . TYR D 1 243 ? -14.887 -0.254 -81.254 1.00 58.20 ? 310 TYR D CD2 1 ATOM 10786 C CE1 . TYR D 1 243 ? -13.753 1.382 -79.333 1.00 55.87 ? 310 TYR D CE1 1 ATOM 10787 C CE2 . TYR D 1 243 ? -13.621 0.273 -81.465 1.00 59.73 ? 310 TYR D CE2 1 ATOM 10788 C CZ . TYR D 1 243 ? -13.074 1.086 -80.499 1.00 62.03 ? 310 TYR D CZ 1 ATOM 10789 O OH . TYR D 1 243 ? -11.826 1.551 -80.662 1.00 62.24 ? 310 TYR D OH 1 ATOM 10790 N N . SER D 1 244 ? -18.996 -2.497 -77.654 1.00 45.53 ? 311 SER D N 1 ATOM 10791 C CA . SER D 1 244 ? -20.379 -3.000 -77.520 1.00 47.08 ? 311 SER D CA 1 ATOM 10792 C C . SER D 1 244 ? -21.134 -2.269 -76.408 1.00 45.42 ? 311 SER D C 1 ATOM 10793 O O . SER D 1 244 ? -20.547 -1.682 -75.487 1.00 39.66 ? 311 SER D O 1 ATOM 10794 C CB . SER D 1 244 ? -20.400 -4.509 -77.232 1.00 46.41 ? 311 SER D CB 1 ATOM 10795 O OG . SER D 1 244 ? -19.685 -4.791 -76.049 1.00 49.62 ? 311 SER D OG 1 ATOM 10796 N N . ILE D 1 245 ? -22.445 -2.316 -76.528 1.00 46.34 ? 312 ILE D N 1 ATOM 10797 C CA . ILE D 1 245 ? -23.351 -1.449 -75.799 1.00 49.69 ? 312 ILE D CA 1 ATOM 10798 C C . ILE D 1 245 ? -24.481 -2.249 -75.192 1.00 48.63 ? 312 ILE D C 1 ATOM 10799 O O . ILE D 1 245 ? -24.965 -3.142 -75.819 1.00 50.85 ? 312 ILE D O 1 ATOM 10800 C CB . ILE D 1 245 ? -24.009 -0.416 -76.762 1.00 49.50 ? 312 ILE D CB 1 ATOM 10801 C CG1 . ILE D 1 245 ? -22.964 0.374 -77.604 1.00 51.12 ? 312 ILE D CG1 1 ATOM 10802 C CG2 . ILE D 1 245 ? -24.865 0.577 -75.978 1.00 56.12 ? 312 ILE D CG2 1 ATOM 10803 C CD1 . ILE D 1 245 ? -22.008 1.253 -76.774 1.00 48.08 ? 312 ILE D CD1 1 ATOM 10804 N N . ASP D 1 246 ? -24.914 -1.898 -73.991 1.00 45.09 ? 313 ASP D N 1 ATOM 10805 C CA . ASP D 1 246 ? -26.145 -2.416 -73.440 1.00 46.37 ? 313 ASP D CA 1 ATOM 10806 C C . ASP D 1 246 ? -26.880 -1.293 -72.727 1.00 43.55 ? 313 ASP D C 1 ATOM 10807 O O . ASP D 1 246 ? -26.298 -0.268 -72.437 1.00 46.84 ? 313 ASP D O 1 ATOM 10808 C CB . ASP D 1 246 ? -25.893 -3.578 -72.481 1.00 47.57 ? 313 ASP D CB 1 ATOM 10809 C CG . ASP D 1 246 ? -27.099 -4.573 -72.410 1.00 60.71 ? 313 ASP D CG 1 ATOM 10810 O OD1 . ASP D 1 246 ? -28.192 -4.328 -72.993 1.00 61.24 ? 313 ASP D OD1 1 ATOM 10811 O OD2 . ASP D 1 246 ? -26.947 -5.647 -71.774 1.00 72.31 ? 313 ASP D OD2 1 ATOM 10812 N N . SER D 1 247 ? -28.153 -1.494 -72.437 1.00 41.72 ? 314 SER D N 1 ATOM 10813 C CA . SER D 1 247 ? -28.947 -0.497 -71.773 1.00 40.45 ? 314 SER D CA 1 ATOM 10814 C C . SER D 1 247 ? -30.218 -1.053 -71.125 1.00 40.58 ? 314 SER D C 1 ATOM 10815 O O . SER D 1 247 ? -30.703 -2.077 -71.510 1.00 40.86 ? 314 SER D O 1 ATOM 10816 C CB . SER D 1 247 ? -29.351 0.588 -72.762 1.00 40.02 ? 314 SER D CB 1 ATOM 10817 O OG . SER D 1 247 ? -30.219 0.111 -73.728 1.00 40.04 ? 314 SER D OG 1 ATOM 10818 N N . SER D 1 248 ? -30.735 -0.321 -70.157 1.00 41.89 ? 315 SER D N 1 ATOM 10819 C CA . SER D 1 248 ? -31.897 -0.697 -69.364 1.00 46.16 ? 315 SER D CA 1 ATOM 10820 C C . SER D 1 248 ? -32.404 0.585 -68.642 1.00 43.70 ? 315 SER D C 1 ATOM 10821 O O . SER D 1 248 ? -32.149 1.671 -69.101 1.00 42.31 ? 315 SER D O 1 ATOM 10822 C CB . SER D 1 248 ? -31.518 -1.823 -68.393 1.00 45.30 ? 315 SER D CB 1 ATOM 10823 O OG . SER D 1 248 ? -30.522 -1.347 -67.495 1.00 49.12 ? 315 SER D OG 1 ATOM 10824 N N . TYR D 1 249 ? -33.119 0.439 -67.542 1.00 42.51 ? 316 TYR D N 1 ATOM 10825 C CA . TYR D 1 249 ? -33.575 1.553 -66.706 1.00 39.96 ? 316 TYR D CA 1 ATOM 10826 C C . TYR D 1 249 ? -33.139 1.268 -65.256 1.00 41.25 ? 316 TYR D C 1 ATOM 10827 O O . TYR D 1 249 ? -33.095 0.135 -64.804 1.00 41.64 ? 316 TYR D O 1 ATOM 10828 C CB . TYR D 1 249 ? -35.093 1.694 -66.778 1.00 42.75 ? 316 TYR D CB 1 ATOM 10829 C CG . TYR D 1 249 ? -35.577 2.313 -68.085 1.00 45.44 ? 316 TYR D CG 1 ATOM 10830 C CD1 . TYR D 1 249 ? -35.627 1.570 -69.250 1.00 45.39 ? 316 TYR D CD1 1 ATOM 10831 C CD2 . TYR D 1 249 ? -35.886 3.658 -68.164 1.00 46.63 ? 316 TYR D CD2 1 ATOM 10832 C CE1 . TYR D 1 249 ? -36.003 2.136 -70.445 1.00 45.13 ? 316 TYR D CE1 1 ATOM 10833 C CE2 . TYR D 1 249 ? -36.261 4.234 -69.360 1.00 51.90 ? 316 TYR D CE2 1 ATOM 10834 C CZ . TYR D 1 249 ? -36.308 3.475 -70.502 1.00 49.94 ? 316 TYR D CZ 1 ATOM 10835 O OH . TYR D 1 249 ? -36.689 4.070 -71.686 1.00 50.02 ? 316 TYR D OH 1 ATOM 10836 N N . VAL D 1 250 ? -32.826 2.333 -64.544 1.00 41.70 ? 317 VAL D N 1 ATOM 10837 C CA . VAL D 1 250 ? -32.604 2.322 -63.115 1.00 41.28 ? 317 VAL D CA 1 ATOM 10838 C C . VAL D 1 250 ? -33.760 1.616 -62.348 1.00 46.51 ? 317 VAL D C 1 ATOM 10839 O O . VAL D 1 250 ? -34.946 1.928 -62.557 1.00 41.74 ? 317 VAL D O 1 ATOM 10840 C CB . VAL D 1 250 ? -32.446 3.758 -62.580 1.00 44.18 ? 317 VAL D CB 1 ATOM 10841 C CG1 . VAL D 1 250 ? -32.274 3.759 -61.068 1.00 47.21 ? 317 VAL D CG1 1 ATOM 10842 C CG2 . VAL D 1 250 ? -31.237 4.475 -63.224 1.00 40.30 ? 317 VAL D CG2 1 ATOM 10843 N N . CYS D 1 251 ? -33.382 0.656 -61.496 1.00 44.93 ? 318 CYS D N 1 ATOM 10844 C CA . CYS D 1 251 ? -34.330 -0.240 -60.797 1.00 49.69 ? 318 CYS D CA 1 ATOM 10845 C C . CYS D 1 251 ? -35.216 0.451 -59.772 1.00 44.41 ? 318 CYS D C 1 ATOM 10846 O O . CYS D 1 251 ? -36.364 0.108 -59.631 1.00 48.42 ? 318 CYS D O 1 ATOM 10847 C CB . CYS D 1 251 ? -33.585 -1.396 -60.104 1.00 56.40 ? 318 CYS D CB 1 ATOM 10848 S SG . CYS D 1 251 ? -33.038 -2.683 -61.249 1.00 63.70 ? 318 CYS D SG 1 ATOM 10849 N N . SER D 1 252 ? -34.650 1.406 -59.061 1.00 42.91 ? 319 SER D N 1 ATOM 10850 C CA . SER D 1 252 ? -35.322 2.137 -57.982 1.00 46.66 ? 319 SER D CA 1 ATOM 10851 C C . SER D 1 252 ? -36.747 2.536 -58.288 1.00 46.60 ? 319 SER D C 1 ATOM 10852 O O . SER D 1 252 ? -37.024 3.153 -59.313 1.00 45.05 ? 319 SER D O 1 ATOM 10853 C CB . SER D 1 252 ? -34.550 3.429 -57.638 1.00 45.51 ? 319 SER D CB 1 ATOM 10854 O OG . SER D 1 252 ? -35.261 4.168 -56.666 1.00 47.10 ? 319 SER D OG 1 ATOM 10855 N N . GLY D 1 253 ? -37.644 2.202 -57.357 1.00 45.13 ? 320 GLY D N 1 ATOM 10856 C CA . GLY D 1 253 ? -39.032 2.632 -57.462 1.00 42.92 ? 320 GLY D CA 1 ATOM 10857 C C . GLY D 1 253 ? -39.206 4.098 -57.103 1.00 44.73 ? 320 GLY D C 1 ATOM 10858 O O . GLY D 1 253 ? -40.238 4.687 -57.404 1.00 47.81 ? 320 GLY D O 1 ATOM 10859 N N . LEU D 1 254 ? -38.207 4.691 -56.426 1.00 44.18 ? 321 LEU D N 1 ATOM 10860 C CA . LEU D 1 254 ? -38.138 6.165 -56.283 1.00 41.57 ? 321 LEU D CA 1 ATOM 10861 C C . LEU D 1 254 ? -37.427 6.707 -57.534 1.00 41.53 ? 321 LEU D C 1 ATOM 10862 O O . LEU D 1 254 ? -36.230 6.481 -57.717 1.00 39.00 ? 321 LEU D O 1 ATOM 10863 C CB . LEU D 1 254 ? -37.405 6.567 -55.005 1.00 41.72 ? 321 LEU D CB 1 ATOM 10864 C CG . LEU D 1 254 ? -38.023 6.019 -53.709 1.00 41.68 ? 321 LEU D CG 1 ATOM 10865 C CD1 . LEU D 1 254 ? -37.202 6.368 -52.491 1.00 43.65 ? 321 LEU D CD1 1 ATOM 10866 C CD2 . LEU D 1 254 ? -39.430 6.525 -53.498 1.00 42.70 ? 321 LEU D CD2 1 ATOM 10867 N N . VAL D 1 255 ? -38.182 7.322 -58.445 1.00 39.35 ? 322 VAL D N 1 ATOM 10868 C CA . VAL D 1 255 ? -37.625 7.602 -59.765 1.00 39.56 ? 322 VAL D CA 1 ATOM 10869 C C . VAL D 1 255 ? -37.053 9.011 -59.815 1.00 38.75 ? 322 VAL D C 1 ATOM 10870 O O . VAL D 1 255 ? -37.403 9.853 -58.990 1.00 37.95 ? 322 VAL D O 1 ATOM 10871 C CB . VAL D 1 255 ? -38.638 7.374 -60.877 1.00 41.71 ? 322 VAL D CB 1 ATOM 10872 C CG1 . VAL D 1 255 ? -39.176 5.960 -60.763 1.00 44.49 ? 322 VAL D CG1 1 ATOM 10873 C CG2 . VAL D 1 255 ? -39.757 8.398 -60.813 1.00 43.43 ? 322 VAL D CG2 1 ATOM 10874 N N . GLY D 1 256 ? -36.189 9.256 -60.797 1.00 40.05 ? 323 GLY D N 1 ATOM 10875 C CA . GLY D 1 256 ? -35.372 10.458 -60.829 1.00 41.57 ? 323 GLY D CA 1 ATOM 10876 C C . GLY D 1 256 ? -35.741 11.601 -61.747 1.00 40.70 ? 323 GLY D C 1 ATOM 10877 O O . GLY D 1 256 ? -35.131 12.691 -61.680 1.00 39.68 ? 323 GLY D O 1 ATOM 10878 N N . ASP D 1 257 ? -36.720 11.369 -62.610 1.00 38.43 ? 324 ASP D N 1 ATOM 10879 C CA . ASP D 1 257 ? -37.091 12.384 -63.578 1.00 40.61 ? 324 ASP D CA 1 ATOM 10880 C C . ASP D 1 257 ? -38.167 13.332 -63.027 1.00 44.24 ? 324 ASP D C 1 ATOM 10881 O O . ASP D 1 257 ? -38.735 13.125 -61.925 1.00 42.62 ? 324 ASP D O 1 ATOM 10882 C CB . ASP D 1 257 ? -37.510 11.746 -64.891 1.00 43.13 ? 324 ASP D CB 1 ATOM 10883 C CG . ASP D 1 257 ? -36.985 12.498 -66.124 1.00 48.21 ? 324 ASP D CG 1 ATOM 10884 O OD1 . ASP D 1 257 ? -36.574 13.683 -66.009 1.00 49.61 ? 324 ASP D OD1 1 ATOM 10885 O OD2 . ASP D 1 257 ? -37.000 11.902 -67.253 1.00 42.71 ? 324 ASP D OD2 1 ATOM 10886 N N . THR D 1 258 ? -38.407 14.367 -63.815 1.00 40.74 ? 325 THR D N 1 ATOM 10887 C CA . THR D 1 258 ? -39.430 15.337 -63.574 1.00 42.12 ? 325 THR D CA 1 ATOM 10888 C C . THR D 1 258 ? -40.097 15.624 -64.928 1.00 42.46 ? 325 THR D C 1 ATOM 10889 O O . THR D 1 258 ? -39.444 16.019 -65.869 1.00 43.25 ? 325 THR D O 1 ATOM 10890 C CB . THR D 1 258 ? -38.818 16.623 -63.009 1.00 46.41 ? 325 THR D CB 1 ATOM 10891 O OG1 . THR D 1 258 ? -38.034 16.301 -61.853 1.00 52.75 ? 325 THR D OG1 1 ATOM 10892 C CG2 . THR D 1 258 ? -39.905 17.623 -62.632 1.00 49.37 ? 325 THR D CG2 1 ATOM 10893 N N . PRO D 1 259 ? -41.418 15.481 -65.026 1.00 45.06 ? 326 PRO D N 1 ATOM 10894 C CA . PRO D 1 259 ? -42.369 15.118 -63.988 1.00 37.52 ? 326 PRO D CA 1 ATOM 10895 C C . PRO D 1 259 ? -42.342 13.638 -63.641 1.00 38.06 ? 326 PRO D C 1 ATOM 10896 O O . PRO D 1 259 ? -41.618 12.875 -64.221 1.00 37.99 ? 326 PRO D O 1 ATOM 10897 C CB . PRO D 1 259 ? -43.730 15.548 -64.581 1.00 42.07 ? 326 PRO D CB 1 ATOM 10898 C CG . PRO D 1 259 ? -43.526 15.519 -66.066 1.00 44.74 ? 326 PRO D CG 1 ATOM 10899 C CD . PRO D 1 259 ? -42.086 15.891 -66.293 1.00 43.24 ? 326 PRO D CD 1 ATOM 10900 N N . ARG D 1 260 ? -43.092 13.264 -62.616 1.00 44.55 ? 327 ARG D N 1 ATOM 10901 C CA . ARG D 1 260 ? -43.159 11.886 -62.168 1.00 43.95 ? 327 ARG D CA 1 ATOM 10902 C C . ARG D 1 260 ? -44.375 11.719 -61.268 1.00 44.52 ? 327 ARG D C 1 ATOM 10903 O O . ARG D 1 260 ? -44.936 12.701 -60.793 1.00 41.24 ? 327 ARG D O 1 ATOM 10904 C CB . ARG D 1 260 ? -41.858 11.503 -61.424 1.00 43.31 ? 327 ARG D CB 1 ATOM 10905 C CG . ARG D 1 260 ? -41.588 12.301 -60.175 1.00 40.60 ? 327 ARG D CG 1 ATOM 10906 C CD . ARG D 1 260 ? -40.381 11.747 -59.396 1.00 41.95 ? 327 ARG D CD 1 ATOM 10907 N NE . ARG D 1 260 ? -40.127 12.526 -58.184 1.00 38.03 ? 327 ARG D NE 1 ATOM 10908 C CZ . ARG D 1 260 ? -39.472 13.680 -58.141 1.00 37.78 ? 327 ARG D CZ 1 ATOM 10909 N NH1 . ARG D 1 260 ? -39.379 14.305 -56.992 1.00 38.11 ? 327 ARG D NH1 1 ATOM 10910 N NH2 . ARG D 1 260 ? -38.894 14.220 -59.215 1.00 41.05 ? 327 ARG D NH2 1 ATOM 10911 N N . ASN D 1 261 ? -44.760 10.475 -60.995 1.00 42.80 ? 328 ASN D N 1 ATOM 10912 C CA . ASN D 1 261 ? -45.780 10.247 -59.992 1.00 43.04 ? 328 ASN D CA 1 ATOM 10913 C C . ASN D 1 261 ? -45.164 10.487 -58.608 1.00 48.60 ? 328 ASN D C 1 ATOM 10914 O O . ASN D 1 261 ? -43.944 10.443 -58.475 1.00 43.55 ? 328 ASN D O 1 ATOM 10915 C CB . ASN D 1 261 ? -46.287 8.826 -60.029 1.00 43.72 ? 328 ASN D CB 1 ATOM 10916 C CG . ASN D 1 261 ? -47.144 8.529 -61.244 1.00 44.87 ? 328 ASN D CG 1 ATOM 10917 O OD1 . ASN D 1 261 ? -47.588 9.394 -61.978 1.00 48.27 ? 328 ASN D OD1 1 ATOM 10918 N ND2 . ASN D 1 261 ? -47.353 7.268 -61.454 1.00 47.42 ? 328 ASN D ND2 1 ATOM 10919 N N . ASP D 1 262 ? -46.016 10.660 -57.598 1.00 45.93 ? 329 ASP D N 1 ATOM 10920 C CA . ASP D 1 262 ? -45.604 10.641 -56.210 1.00 51.62 ? 329 ASP D CA 1 ATOM 10921 C C . ASP D 1 262 ? -45.038 9.288 -55.831 1.00 48.26 ? 329 ASP D C 1 ATOM 10922 O O . ASP D 1 262 ? -45.228 8.274 -56.522 1.00 50.33 ? 329 ASP D O 1 ATOM 10923 C CB . ASP D 1 262 ? -46.767 10.969 -55.258 1.00 58.92 ? 329 ASP D CB 1 ATOM 10924 C CG . ASP D 1 262 ? -47.763 9.835 -55.148 1.00 64.98 ? 329 ASP D CG 1 ATOM 10925 O OD1 . ASP D 1 262 ? -47.642 8.986 -54.229 1.00 75.59 ? 329 ASP D OD1 1 ATOM 10926 O OD2 . ASP D 1 262 ? -48.649 9.763 -56.023 1.00 76.13 ? 329 ASP D OD2 1 ATOM 10927 N N . ASP D 1 263 ? -44.393 9.281 -54.677 1.00 47.96 ? 330 ASP D N 1 ATOM 10928 C CA . ASP D 1 263 ? -43.595 8.146 -54.193 1.00 54.67 ? 330 ASP D CA 1 ATOM 10929 C C . ASP D 1 263 ? -44.341 6.872 -53.922 1.00 51.29 ? 330 ASP D C 1 ATOM 10930 O O . ASP D 1 263 ? -43.759 5.787 -53.971 1.00 58.69 ? 330 ASP D O 1 ATOM 10931 C CB . ASP D 1 263 ? -42.799 8.550 -52.894 1.00 57.63 ? 330 ASP D CB 1 ATOM 10932 C CG . ASP D 1 263 ? -41.619 9.527 -53.178 1.00 57.31 ? 330 ASP D CG 1 ATOM 10933 O OD1 . ASP D 1 263 ? -41.200 9.687 -54.342 1.00 65.59 ? 330 ASP D OD1 1 ATOM 10934 O OD2 . ASP D 1 263 ? -41.041 10.086 -52.237 1.00 65.35 ? 330 ASP D OD2 1 ATOM 10935 N N . SER D 1 264 ? -45.602 6.958 -53.581 1.00 51.63 ? 331 SER D N 1 ATOM 10936 C CA . SER D 1 264 ? -46.321 5.702 -53.322 1.00 59.94 ? 331 SER D CA 1 ATOM 10937 C C . SER D 1 264 ? -46.884 5.065 -54.602 1.00 59.02 ? 331 SER D C 1 ATOM 10938 O O . SER D 1 264 ? -47.077 3.879 -54.634 1.00 56.90 ? 331 SER D O 1 ATOM 10939 C CB . SER D 1 264 ? -47.394 5.840 -52.234 1.00 60.05 ? 331 SER D CB 1 ATOM 10940 O OG . SER D 1 264 ? -48.023 7.065 -52.360 1.00 61.16 ? 331 SER D OG 1 ATOM 10941 N N . SER D 1 265 ? -47.037 5.823 -55.677 1.00 55.98 ? 332 SER D N 1 ATOM 10942 C CA . SER D 1 265 ? -47.512 5.235 -56.930 1.00 57.47 ? 332 SER D CA 1 ATOM 10943 C C . SER D 1 265 ? -46.489 5.159 -58.093 1.00 54.27 ? 332 SER D C 1 ATOM 10944 O O . SER D 1 265 ? -46.839 4.849 -59.233 1.00 50.44 ? 332 SER D O 1 ATOM 10945 C CB . SER D 1 265 ? -48.758 6.000 -57.364 1.00 56.57 ? 332 SER D CB 1 ATOM 10946 O OG . SER D 1 265 ? -48.438 7.365 -57.446 1.00 62.83 ? 332 SER D OG 1 ATOM 10947 N N . SER D 1 266 ? -45.242 5.499 -57.817 1.00 54.88 ? 333 SER D N 1 ATOM 10948 C CA . SER D 1 266 ? -44.209 5.489 -58.869 1.00 53.81 ? 333 SER D CA 1 ATOM 10949 C C . SER D 1 266 ? -43.596 4.110 -58.963 1.00 49.61 ? 333 SER D C 1 ATOM 10950 O O . SER D 1 266 ? -43.611 3.362 -57.990 1.00 49.60 ? 333 SER D O 1 ATOM 10951 C CB . SER D 1 266 ? -43.107 6.516 -58.588 1.00 50.40 ? 333 SER D CB 1 ATOM 10952 O OG . SER D 1 266 ? -42.460 6.245 -57.376 1.00 54.96 ? 333 SER D OG 1 ATOM 10953 N N . SER D 1 267 ? -43.072 3.753 -60.126 1.00 44.26 ? 334 SER D N 1 ATOM 10954 C CA . SER D 1 267 ? -42.469 2.433 -60.274 1.00 44.69 ? 334 SER D CA 1 ATOM 10955 C C . SER D 1 267 ? -41.412 2.324 -61.372 1.00 43.61 ? 334 SER D C 1 ATOM 10956 O O . SER D 1 267 ? -41.322 3.161 -62.249 1.00 43.25 ? 334 SER D O 1 ATOM 10957 C CB . SER D 1 267 ? -43.568 1.385 -60.563 1.00 45.98 ? 334 SER D CB 1 ATOM 10958 O OG . SER D 1 267 ? -44.092 1.584 -61.852 1.00 47.73 ? 334 SER D OG 1 ATOM 10959 N N . SER D 1 268 ? -40.643 1.246 -61.300 1.00 44.81 ? 335 SER D N 1 ATOM 10960 C CA . SER D 1 268 ? -39.717 0.862 -62.338 1.00 49.47 ? 335 SER D CA 1 ATOM 10961 C C . SER D 1 268 ? -39.566 -0.655 -62.320 1.00 49.52 ? 335 SER D C 1 ATOM 10962 O O . SER D 1 268 ? -39.431 -1.232 -61.252 1.00 49.71 ? 335 SER D O 1 ATOM 10963 C CB . SER D 1 268 ? -38.331 1.538 -62.126 1.00 47.62 ? 335 SER D CB 1 ATOM 10964 O OG . SER D 1 268 ? -37.403 1.206 -63.175 1.00 39.50 ? 335 SER D OG 1 ATOM 10965 N N . ASN D 1 269 ? -39.521 -1.273 -63.500 1.00 47.77 ? 336 ASN D N 1 ATOM 10966 C CA . ASN D 1 269 ? -39.249 -2.708 -63.594 1.00 49.92 ? 336 ASN D CA 1 ATOM 10967 C C . ASN D 1 269 ? -37.853 -3.041 -64.114 1.00 51.24 ? 336 ASN D C 1 ATOM 10968 O O . ASN D 1 269 ? -37.618 -4.159 -64.534 1.00 51.50 ? 336 ASN D O 1 ATOM 10969 C CB . ASN D 1 269 ? -40.289 -3.397 -64.488 1.00 49.60 ? 336 ASN D CB 1 ATOM 10970 C CG . ASN D 1 269 ? -40.087 -3.085 -65.961 1.00 53.60 ? 336 ASN D CG 1 ATOM 10971 O OD1 . ASN D 1 269 ? -39.218 -2.318 -66.342 1.00 54.64 ? 336 ASN D OD1 1 ATOM 10972 N ND2 . ASN D 1 269 ? -40.889 -3.680 -66.784 1.00 61.03 ? 336 ASN D ND2 1 ATOM 10973 N N . CYS D 1 270 ? -36.941 -2.076 -64.120 1.00 54.78 ? 337 CYS D N 1 ATOM 10974 C CA . CYS D 1 270 ? -35.511 -2.260 -64.575 1.00 56.21 ? 337 CYS D CA 1 ATOM 10975 C C . CYS D 1 270 ? -35.336 -2.369 -66.079 1.00 51.09 ? 337 CYS D C 1 ATOM 10976 O O . CYS D 1 270 ? -34.238 -2.234 -66.568 1.00 55.11 ? 337 CYS D O 1 ATOM 10977 C CB . CYS D 1 270 ? -34.749 -3.431 -63.901 1.00 58.60 ? 337 CYS D CB 1 ATOM 10978 S SG . CYS D 1 270 ? -34.864 -3.441 -62.092 1.00 89.87 ? 337 CYS D SG 1 ATOM 10979 N N . ARG D 1 271 ? -36.395 -2.564 -66.834 1.00 55.66 ? 338 ARG D N 1 ATOM 10980 C CA . ARG D 1 271 ? -36.227 -2.969 -68.222 1.00 57.41 ? 338 ARG D CA 1 ATOM 10981 C C . ARG D 1 271 ? -36.893 -2.010 -69.202 1.00 55.24 ? 338 ARG D C 1 ATOM 10982 O O . ARG D 1 271 ? -36.341 -1.692 -70.257 1.00 56.91 ? 338 ARG D O 1 ATOM 10983 C CB . ARG D 1 271 ? -36.772 -4.392 -68.400 1.00 65.71 ? 338 ARG D CB 1 ATOM 10984 C CG . ARG D 1 271 ? -36.246 -5.064 -69.664 1.00 82.91 ? 338 ARG D CG 1 ATOM 10985 C CD . ARG D 1 271 ? -36.933 -6.387 -70.025 1.00 95.01 ? 338 ARG D CD 1 ATOM 10986 N NE . ARG D 1 271 ? -38.330 -6.147 -70.436 1.00 102.30 ? 338 ARG D NE 1 ATOM 10987 C CZ . ARG D 1 271 ? -39.388 -6.885 -70.095 1.00 97.38 ? 338 ARG D CZ 1 ATOM 10988 N NH1 . ARG D 1 271 ? -39.269 -7.962 -69.314 1.00 103.81 ? 338 ARG D NH1 1 ATOM 10989 N NH2 . ARG D 1 271 ? -40.590 -6.521 -70.525 1.00 83.95 ? 338 ARG D NH2 1 ATOM 10990 N N . ASP D 1 272 ? -38.080 -1.520 -68.847 1.00 50.37 ? 339 ASP D N 1 ATOM 10991 C CA . ASP D 1 272 ? -38.875 -0.680 -69.738 1.00 47.93 ? 339 ASP D CA 1 ATOM 10992 C C . ASP D 1 272 ? -39.185 0.709 -69.149 1.00 51.33 ? 339 ASP D C 1 ATOM 10993 O O . ASP D 1 272 ? -39.165 0.914 -67.909 1.00 50.61 ? 339 ASP D O 1 ATOM 10994 C CB . ASP D 1 272 ? -40.191 -1.382 -70.028 1.00 51.95 ? 339 ASP D CB 1 ATOM 10995 C CG . ASP D 1 272 ? -40.003 -2.829 -70.445 1.00 59.81 ? 339 ASP D CG 1 ATOM 10996 O OD1 . ASP D 1 272 ? -39.231 -3.085 -71.404 1.00 62.22 ? 339 ASP D OD1 1 ATOM 10997 O OD2 . ASP D 1 272 ? -40.608 -3.719 -69.803 1.00 62.63 ? 339 ASP D OD2 1 ATOM 10998 N N . PRO D 1 273 ? -39.454 1.679 -70.032 1.00 46.18 ? 340 PRO D N 1 ATOM 10999 C CA . PRO D 1 273 ? -39.947 2.912 -69.507 1.00 45.30 ? 340 PRO D CA 1 ATOM 11000 C C . PRO D 1 273 ? -41.238 2.609 -68.774 1.00 47.60 ? 340 PRO D C 1 ATOM 11001 O O . PRO D 1 273 ? -42.007 1.792 -69.218 1.00 50.16 ? 340 PRO D O 1 ATOM 11002 C CB . PRO D 1 273 ? -40.242 3.755 -70.762 1.00 49.33 ? 340 PRO D CB 1 ATOM 11003 C CG . PRO D 1 273 ? -40.268 2.798 -71.918 1.00 44.20 ? 340 PRO D CG 1 ATOM 11004 C CD . PRO D 1 273 ? -39.487 1.604 -71.503 1.00 41.83 ? 340 PRO D CD 1 ATOM 11005 N N . ASN D 1 274 ? -41.488 3.323 -67.694 1.00 47.55 ? 341 ASN D N 1 ATOM 11006 C CA . ASN D 1 274 ? -42.617 3.048 -66.816 1.00 46.97 ? 341 ASN D CA 1 ATOM 11007 C C . ASN D 1 274 ? -43.944 3.652 -67.262 1.00 47.12 ? 341 ASN D C 1 ATOM 11008 O O . ASN D 1 274 ? -44.943 3.398 -66.621 1.00 48.18 ? 341 ASN D O 1 ATOM 11009 C CB . ASN D 1 274 ? -42.314 3.505 -65.360 1.00 44.54 ? 341 ASN D CB 1 ATOM 11010 C CG . ASN D 1 274 ? -42.043 5.014 -65.224 1.00 42.57 ? 341 ASN D CG 1 ATOM 11011 O OD1 . ASN D 1 274 ? -42.288 5.825 -66.144 1.00 47.45 ? 341 ASN D OD1 1 ATOM 11012 N ND2 . ASN D 1 274 ? -41.580 5.406 -64.060 1.00 43.46 ? 341 ASN D ND2 1 ATOM 11013 N N . ASN D 1 275 ? -43.945 4.482 -68.300 1.00 46.25 ? 342 ASN D N 1 ATOM 11014 C CA . ASN D 1 275 ? -45.172 5.171 -68.794 1.00 50.00 ? 342 ASN D CA 1 ATOM 11015 C C . ASN D 1 275 ? -45.891 6.035 -67.833 1.00 48.07 ? 342 ASN D C 1 ATOM 11016 O O . ASN D 1 275 ? -47.104 6.200 -67.912 1.00 49.38 ? 342 ASN D O 1 ATOM 11017 C CB . ASN D 1 275 ? -46.170 4.192 -69.419 1.00 54.34 ? 342 ASN D CB 1 ATOM 11018 C CG . ASN D 1 275 ? -45.654 3.647 -70.743 1.00 63.95 ? 342 ASN D CG 1 ATOM 11019 O OD1 . ASN D 1 275 ? -45.439 4.388 -71.687 1.00 74.78 ? 342 ASN D OD1 1 ATOM 11020 N ND2 . ASN D 1 275 ? -45.402 2.363 -70.789 1.00 65.89 ? 342 ASN D ND2 1 ATOM 11021 N N . GLU D 1 276 ? -45.139 6.609 -66.918 1.00 51.87 ? 343 GLU D N 1 ATOM 11022 C CA . GLU D 1 276 ? -45.694 7.476 -65.896 1.00 47.29 ? 343 GLU D CA 1 ATOM 11023 C C . GLU D 1 276 ? -45.084 8.844 -66.133 1.00 45.10 ? 343 GLU D C 1 ATOM 11024 O O . GLU D 1 276 ? -43.944 9.113 -65.752 1.00 49.84 ? 343 GLU D O 1 ATOM 11025 C CB . GLU D 1 276 ? -45.362 6.952 -64.482 1.00 48.58 ? 343 GLU D CB 1 ATOM 11026 C CG . GLU D 1 276 ? -45.878 5.548 -64.177 1.00 49.45 ? 343 GLU D CG 1 ATOM 11027 C CD . GLU D 1 276 ? -45.203 4.865 -62.967 1.00 56.66 ? 343 GLU D CD 1 ATOM 11028 O OE1 . GLU D 1 276 ? -44.366 5.460 -62.248 1.00 58.17 ? 343 GLU D OE1 1 ATOM 11029 O OE2 . GLU D 1 276 ? -45.478 3.669 -62.746 1.00 63.41 ? 343 GLU D OE2 1 ATOM 11030 N N . ARG D 1 277 ? -45.868 9.717 -66.739 1.00 43.97 ? 344 ARG D N 1 ATOM 11031 C CA . ARG D 1 277 ? -45.535 11.137 -66.879 1.00 46.35 ? 344 ARG D CA 1 ATOM 11032 C C . ARG D 1 277 ? -44.162 11.318 -67.488 1.00 48.92 ? 344 ARG D C 1 ATOM 11033 O O . ARG D 1 277 ? -43.268 12.006 -66.962 1.00 50.87 ? 344 ARG D O 1 ATOM 11034 C CB . ARG D 1 277 ? -45.640 11.837 -65.516 1.00 47.30 ? 344 ARG D CB 1 ATOM 11035 C CG . ARG D 1 277 ? -47.029 11.757 -64.907 1.00 48.10 ? 344 ARG D CG 1 ATOM 11036 C CD . ARG D 1 277 ? -47.159 12.570 -63.630 1.00 49.50 ? 344 ARG D CD 1 ATOM 11037 N NE . ARG D 1 277 ? -47.343 13.978 -63.919 1.00 46.83 ? 344 ARG D NE 1 ATOM 11038 C CZ . ARG D 1 277 ? -47.161 14.950 -63.031 1.00 49.24 ? 344 ARG D CZ 1 ATOM 11039 N NH1 . ARG D 1 277 ? -46.700 14.722 -61.803 1.00 49.34 ? 344 ARG D NH1 1 ATOM 11040 N NH2 . ARG D 1 277 ? -47.347 16.194 -63.393 1.00 47.89 ? 344 ARG D NH2 1 ATOM 11041 N N . GLY D 1 278 ? -44.002 10.679 -68.614 1.00 45.82 ? 345 GLY D N 1 ATOM 11042 C CA . GLY D 1 278 ? -42.686 10.501 -69.235 1.00 50.16 ? 345 GLY D CA 1 ATOM 11043 C C . GLY D 1 278 ? -42.120 11.727 -69.912 1.00 48.85 ? 345 GLY D C 1 ATOM 11044 O O . GLY D 1 278 ? -40.909 11.818 -70.098 1.00 44.09 ? 345 GLY D O 1 ATOM 11045 N N . ASN D 1 279 ? -42.957 12.700 -70.240 1.00 47.46 ? 346 ASN D N 1 ATOM 11046 C CA . ASN D 1 279 ? -42.439 13.849 -70.976 1.00 46.36 ? 346 ASN D CA 1 ATOM 11047 C C . ASN D 1 279 ? -42.674 15.141 -70.201 1.00 42.42 ? 346 ASN D C 1 ATOM 11048 O O . ASN D 1 279 ? -43.581 15.238 -69.407 1.00 43.01 ? 346 ASN D O 1 ATOM 11049 C CB . ASN D 1 279 ? -43.001 13.889 -72.398 1.00 53.44 ? 346 ASN D CB 1 ATOM 11050 C CG . ASN D 1 279 ? -44.267 14.728 -72.508 1.00 57.19 ? 346 ASN D CG 1 ATOM 11051 O OD1 . ASN D 1 279 ? -44.295 15.847 -73.080 1.00 65.61 ? 346 ASN D OD1 1 ATOM 11052 N ND2 . ASN D 1 279 ? -45.324 14.181 -71.968 1.00 46.96 ? 346 ASN D ND2 1 ATOM 11053 N N . PRO D 1 280 ? -41.799 16.138 -70.370 1.00 42.84 ? 347 PRO D N 1 ATOM 11054 C CA . PRO D 1 280 ? -40.590 16.135 -71.173 1.00 42.86 ? 347 PRO D CA 1 ATOM 11055 C C . PRO D 1 280 ? -39.315 15.598 -70.487 1.00 45.94 ? 347 PRO D C 1 ATOM 11056 O O . PRO D 1 280 ? -38.277 15.466 -71.137 1.00 40.40 ? 347 PRO D O 1 ATOM 11057 C CB . PRO D 1 280 ? -40.389 17.622 -71.446 1.00 41.43 ? 347 PRO D CB 1 ATOM 11058 C CG . PRO D 1 280 ? -40.831 18.249 -70.149 1.00 45.75 ? 347 PRO D CG 1 ATOM 11059 C CD . PRO D 1 280 ? -41.990 17.430 -69.682 1.00 41.87 ? 347 PRO D CD 1 ATOM 11060 N N . GLY D 1 281 ? -39.355 15.407 -69.176 1.00 44.44 ? 348 GLY D N 1 ATOM 11061 C CA . GLY D 1 281 ? -38.146 15.006 -68.456 1.00 43.13 ? 348 GLY D CA 1 ATOM 11062 C C . GLY D 1 281 ? -37.170 16.143 -68.264 1.00 38.42 ? 348 GLY D C 1 ATOM 11063 O O . GLY D 1 281 ? -37.422 17.285 -68.653 1.00 38.31 ? 348 GLY D O 1 ATOM 11064 N N . VAL D 1 282 ? -36.102 15.831 -67.550 1.00 36.13 ? 349 VAL D N 1 ATOM 11065 C CA . VAL D 1 282 ? -35.070 16.779 -67.234 1.00 34.00 ? 349 VAL D CA 1 ATOM 11066 C C . VAL D 1 282 ? -33.742 16.042 -67.130 1.00 35.48 ? 349 VAL D C 1 ATOM 11067 O O . VAL D 1 282 ? -33.691 14.896 -66.694 1.00 36.47 ? 349 VAL D O 1 ATOM 11068 C CB . VAL D 1 282 ? -35.380 17.539 -65.920 1.00 35.95 ? 349 VAL D CB 1 ATOM 11069 C CG1 . VAL D 1 282 ? -35.213 16.661 -64.697 1.00 33.50 ? 349 VAL D CG1 1 ATOM 11070 C CG2 . VAL D 1 282 ? -34.467 18.760 -65.748 1.00 36.90 ? 349 VAL D CG2 1 ATOM 11071 N N . LYS D 1 283 ? -32.665 16.679 -67.503 1.00 33.14 ? 350 LYS D N 1 ATOM 11072 C CA . LYS D 1 283 ? -31.367 16.053 -67.321 1.00 37.22 ? 350 LYS D CA 1 ATOM 11073 C C . LYS D 1 283 ? -31.056 15.845 -65.838 1.00 35.65 ? 350 LYS D C 1 ATOM 11074 O O . LYS D 1 283 ? -31.209 16.738 -65.017 1.00 35.44 ? 350 LYS D O 1 ATOM 11075 C CB . LYS D 1 283 ? -30.253 16.884 -67.956 1.00 34.98 ? 350 LYS D CB 1 ATOM 11076 C CG . LYS D 1 283 ? -28.882 16.262 -67.846 1.00 39.21 ? 350 LYS D CG 1 ATOM 11077 C CD . LYS D 1 283 ? -27.787 17.186 -68.339 1.00 39.90 ? 350 LYS D CD 1 ATOM 11078 C CE . LYS D 1 283 ? -26.408 16.646 -68.028 1.00 38.48 ? 350 LYS D CE 1 ATOM 11079 N NZ . LYS D 1 283 ? -26.064 15.432 -68.785 1.00 40.53 ? 350 LYS D NZ 1 ATOM 11080 N N . GLY D 1 284 ? -30.584 14.651 -65.516 1.00 34.97 ? 351 GLY D N 1 ATOM 11081 C CA . GLY D 1 284 ? -30.141 14.305 -64.183 1.00 35.46 ? 351 GLY D CA 1 ATOM 11082 C C . GLY D 1 284 ? -29.092 13.191 -64.168 1.00 35.88 ? 351 GLY D C 1 ATOM 11083 O O . GLY D 1 284 ? -28.548 12.845 -65.193 1.00 36.18 ? 351 GLY D O 1 ATOM 11084 N N . TRP D 1 285 ? -28.885 12.609 -62.982 1.00 38.86 ? 352 TRP D N 1 ATOM 11085 C CA . TRP D 1 285 ? -27.836 11.645 -62.747 1.00 36.98 ? 352 TRP D CA 1 ATOM 11086 C C . TRP D 1 285 ? -28.196 10.638 -61.637 1.00 37.74 ? 352 TRP D C 1 ATOM 11087 O O . TRP D 1 285 ? -29.115 10.822 -60.817 1.00 35.38 ? 352 TRP D O 1 ATOM 11088 C CB . TRP D 1 285 ? -26.564 12.346 -62.360 1.00 35.41 ? 352 TRP D CB 1 ATOM 11089 C CG . TRP D 1 285 ? -26.713 13.069 -61.072 1.00 38.41 ? 352 TRP D CG 1 ATOM 11090 C CD1 . TRP D 1 285 ? -27.104 14.339 -60.915 1.00 41.38 ? 352 TRP D CD1 1 ATOM 11091 C CD2 . TRP D 1 285 ? -26.467 12.562 -59.759 1.00 38.11 ? 352 TRP D CD2 1 ATOM 11092 N NE1 . TRP D 1 285 ? -27.136 14.668 -59.575 1.00 41.67 ? 352 TRP D NE1 1 ATOM 11093 C CE2 . TRP D 1 285 ? -26.769 13.587 -58.843 1.00 38.16 ? 352 TRP D CE2 1 ATOM 11094 C CE3 . TRP D 1 285 ? -26.052 11.328 -59.259 1.00 39.20 ? 352 TRP D CE3 1 ATOM 11095 C CZ2 . TRP D 1 285 ? -26.679 13.418 -57.423 1.00 44.08 ? 352 TRP D CZ2 1 ATOM 11096 C CZ3 . TRP D 1 285 ? -25.943 11.158 -57.837 1.00 41.77 ? 352 TRP D CZ3 1 ATOM 11097 C CH2 . TRP D 1 285 ? -26.264 12.198 -56.945 1.00 38.06 ? 352 TRP D CH2 1 ATOM 11098 N N . ALA D 1 286 ? -27.430 9.557 -61.652 1.00 35.38 ? 353 ALA D N 1 ATOM 11099 C CA . ALA D 1 286 ? -27.437 8.536 -60.600 1.00 36.93 ? 353 ALA D CA 1 ATOM 11100 C C . ALA D 1 286 ? -26.190 7.684 -60.759 1.00 36.92 ? 353 ALA D C 1 ATOM 11101 O O . ALA D 1 286 ? -25.583 7.660 -61.826 1.00 36.09 ? 353 ALA D O 1 ATOM 11102 C CB . ALA D 1 286 ? -28.651 7.656 -60.689 1.00 38.50 ? 353 ALA D CB 1 ATOM 11103 N N . PHE D 1 287 ? -25.788 7.028 -59.683 1.00 39.08 ? 354 PHE D N 1 ATOM 11104 C CA . PHE D 1 287 ? -24.702 6.061 -59.789 1.00 38.66 ? 354 PHE D CA 1 ATOM 11105 C C . PHE D 1 287 ? -24.855 4.900 -58.807 1.00 42.79 ? 354 PHE D C 1 ATOM 11106 O O . PHE D 1 287 ? -25.552 5.000 -57.795 1.00 44.20 ? 354 PHE D O 1 ATOM 11107 C CB . PHE D 1 287 ? -23.322 6.717 -59.727 1.00 36.90 ? 354 PHE D CB 1 ATOM 11108 C CG . PHE D 1 287 ? -22.963 7.277 -58.412 1.00 35.45 ? 354 PHE D CG 1 ATOM 11109 C CD1 . PHE D 1 287 ? -23.275 8.595 -58.091 1.00 37.65 ? 354 PHE D CD1 1 ATOM 11110 C CD2 . PHE D 1 287 ? -22.291 6.503 -57.479 1.00 40.41 ? 354 PHE D CD2 1 ATOM 11111 C CE1 . PHE D 1 287 ? -22.959 9.107 -56.843 1.00 40.99 ? 354 PHE D CE1 1 ATOM 11112 C CE2 . PHE D 1 287 ? -21.949 7.011 -56.216 1.00 40.17 ? 354 PHE D CE2 1 ATOM 11113 C CZ . PHE D 1 287 ? -22.280 8.322 -55.893 1.00 39.43 ? 354 PHE D CZ 1 ATOM 11114 N N . ASP D 1 288 ? -24.240 3.783 -59.182 1.00 42.28 ? 355 ASP D N 1 ATOM 11115 C CA . ASP D 1 288 ? -24.393 2.527 -58.460 1.00 42.29 ? 355 ASP D CA 1 ATOM 11116 C C . ASP D 1 288 ? -23.317 2.408 -57.428 1.00 41.45 ? 355 ASP D C 1 ATOM 11117 O O . ASP D 1 288 ? -22.195 2.847 -57.645 1.00 40.69 ? 355 ASP D O 1 ATOM 11118 C CB . ASP D 1 288 ? -24.291 1.336 -59.423 1.00 47.28 ? 355 ASP D CB 1 ATOM 11119 C CG . ASP D 1 288 ? -22.927 1.249 -60.145 1.00 48.38 ? 355 ASP D CG 1 ATOM 11120 O OD1 . ASP D 1 288 ? -22.606 2.093 -61.035 1.00 51.66 ? 355 ASP D OD1 1 ATOM 11121 O OD2 . ASP D 1 288 ? -22.165 0.359 -59.764 1.00 49.41 ? 355 ASP D OD2 1 ATOM 11122 N N . ASN D 1 289 ? -23.694 1.855 -56.282 1.00 46.22 ? 356 ASN D N 1 ATOM 11123 C CA . ASN D 1 289 ? -22.758 1.373 -55.282 1.00 45.75 ? 356 ASN D CA 1 ATOM 11124 C C . ASN D 1 289 ? -23.213 -0.006 -54.787 1.00 46.60 ? 356 ASN D C 1 ATOM 11125 O O . ASN D 1 289 ? -24.033 -0.103 -53.866 1.00 46.11 ? 356 ASN D O 1 ATOM 11126 C CB . ASN D 1 289 ? -22.636 2.364 -54.136 1.00 47.06 ? 356 ASN D CB 1 ATOM 11127 C CG . ASN D 1 289 ? -21.460 2.055 -53.230 1.00 51.92 ? 356 ASN D CG 1 ATOM 11128 O OD1 . ASN D 1 289 ? -21.630 1.910 -52.050 1.00 46.36 ? 356 ASN D OD1 1 ATOM 11129 N ND2 . ASN D 1 289 ? -20.284 1.835 -53.807 1.00 54.16 ? 356 ASN D ND2 1 ATOM 11130 N N . GLY D 1 290 ? -22.706 -1.047 -55.455 1.00 46.00 ? 357 GLY D N 1 ATOM 11131 C CA . GLY D 1 290 ? -23.143 -2.409 -55.255 1.00 43.22 ? 357 GLY D CA 1 ATOM 11132 C C . GLY D 1 290 ? -24.613 -2.568 -55.647 1.00 43.85 ? 357 GLY D C 1 ATOM 11133 O O . GLY D 1 290 ? -24.964 -2.373 -56.777 1.00 43.30 ? 357 GLY D O 1 ATOM 11134 N N . ASN D 1 291 ? -25.453 -2.932 -54.680 1.00 45.69 ? 358 ASN D N 1 ATOM 11135 C CA . ASN D 1 291 ? -26.902 -3.059 -54.866 1.00 47.30 ? 358 ASN D CA 1 ATOM 11136 C C . ASN D 1 291 ? -27.658 -1.768 -54.694 1.00 44.03 ? 358 ASN D C 1 ATOM 11137 O O . ASN D 1 291 ? -28.830 -1.696 -55.051 1.00 41.75 ? 358 ASN D O 1 ATOM 11138 C CB . ASN D 1 291 ? -27.483 -4.099 -53.894 1.00 49.05 ? 358 ASN D CB 1 ATOM 11139 C CG . ASN D 1 291 ? -27.000 -5.513 -54.219 1.00 56.48 ? 358 ASN D CG 1 ATOM 11140 O OD1 . ASN D 1 291 ? -27.025 -5.960 -55.371 1.00 54.57 ? 358 ASN D OD1 1 ATOM 11141 N ND2 . ASN D 1 291 ? -26.501 -6.188 -53.227 1.00 57.20 ? 358 ASN D ND2 1 ATOM 11142 N N . ASP D 1 292 ? -26.974 -0.757 -54.171 1.00 42.26 ? 359 ASP D N 1 ATOM 11143 C CA . ASP D 1 292 ? -27.576 0.530 -53.844 1.00 41.89 ? 359 ASP D CA 1 ATOM 11144 C C . ASP D 1 292 ? -27.385 1.525 -54.984 1.00 41.13 ? 359 ASP D C 1 ATOM 11145 O O . ASP D 1 292 ? -26.506 1.362 -55.853 1.00 38.14 ? 359 ASP D O 1 ATOM 11146 C CB . ASP D 1 292 ? -26.945 1.102 -52.566 1.00 47.57 ? 359 ASP D CB 1 ATOM 11147 C CG . ASP D 1 292 ? -27.215 0.249 -51.310 1.00 49.85 ? 359 ASP D CG 1 ATOM 11148 O OD1 . ASP D 1 292 ? -27.948 -0.775 -51.372 1.00 51.78 ? 359 ASP D OD1 1 ATOM 11149 O OD2 . ASP D 1 292 ? -26.673 0.617 -50.244 1.00 54.20 ? 359 ASP D OD2 1 ATOM 11150 N N . VAL D 1 293 ? -28.238 2.536 -55.013 1.00 42.99 ? 360 VAL D N 1 ATOM 11151 C CA . VAL D 1 293 ? -28.070 3.641 -55.973 1.00 45.04 ? 360 VAL D CA 1 ATOM 11152 C C . VAL D 1 293 ? -28.041 4.947 -55.188 1.00 39.82 ? 360 VAL D C 1 ATOM 11153 O O . VAL D 1 293 ? -28.823 5.113 -54.224 1.00 36.62 ? 360 VAL D O 1 ATOM 11154 C CB . VAL D 1 293 ? -29.199 3.674 -57.028 1.00 42.96 ? 360 VAL D CB 1 ATOM 11155 C CG1 . VAL D 1 293 ? -30.545 3.943 -56.352 1.00 42.82 ? 360 VAL D CG1 1 ATOM 11156 C CG2 . VAL D 1 293 ? -28.922 4.643 -58.153 1.00 42.89 ? 360 VAL D CG2 1 ATOM 11157 N N . TRP D 1 294 ? -27.104 5.832 -55.555 1.00 36.83 ? 361 TRP D N 1 ATOM 11158 C CA . TRP D 1 294 ? -27.166 7.232 -55.140 1.00 37.24 ? 361 TRP D CA 1 ATOM 11159 C C . TRP D 1 294 ? -27.732 8.052 -56.301 1.00 35.31 ? 361 TRP D C 1 ATOM 11160 O O . TRP D 1 294 ? -27.374 7.828 -57.462 1.00 35.55 ? 361 TRP D O 1 ATOM 11161 C CB . TRP D 1 294 ? -25.812 7.754 -54.839 1.00 37.46 ? 361 TRP D CB 1 ATOM 11162 C CG . TRP D 1 294 ? -25.232 7.317 -53.538 1.00 39.61 ? 361 TRP D CG 1 ATOM 11163 C CD1 . TRP D 1 294 ? -24.277 6.361 -53.369 1.00 41.42 ? 361 TRP D CD1 1 ATOM 11164 C CD2 . TRP D 1 294 ? -25.438 7.909 -52.243 1.00 39.34 ? 361 TRP D CD2 1 ATOM 11165 N NE1 . TRP D 1 294 ? -23.929 6.285 -52.060 1.00 40.30 ? 361 TRP D NE1 1 ATOM 11166 C CE2 . TRP D 1 294 ? -24.625 7.220 -51.340 1.00 39.80 ? 361 TRP D CE2 1 ATOM 11167 C CE3 . TRP D 1 294 ? -26.236 8.942 -51.771 1.00 43.61 ? 361 TRP D CE3 1 ATOM 11168 C CZ2 . TRP D 1 294 ? -24.609 7.500 -49.980 1.00 39.23 ? 361 TRP D CZ2 1 ATOM 11169 C CZ3 . TRP D 1 294 ? -26.212 9.240 -50.410 1.00 45.02 ? 361 TRP D CZ3 1 ATOM 11170 C CH2 . TRP D 1 294 ? -25.434 8.497 -49.528 1.00 42.48 ? 361 TRP D CH2 1 ATOM 11171 N N . MET D 1 295 ? -28.622 8.984 -56.002 1.00 33.64 ? 362 MET D N 1 ATOM 11172 C CA . MET D 1 295 ? -29.270 9.741 -57.048 1.00 38.80 ? 362 MET D CA 1 ATOM 11173 C C . MET D 1 295 ? -29.701 11.110 -56.557 1.00 42.35 ? 362 MET D C 1 ATOM 11174 O O . MET D 1 295 ? -29.916 11.304 -55.353 1.00 39.93 ? 362 MET D O 1 ATOM 11175 C CB . MET D 1 295 ? -30.493 8.987 -57.613 1.00 39.21 ? 362 MET D CB 1 ATOM 11176 C CG . MET D 1 295 ? -31.467 8.484 -56.553 1.00 44.70 ? 362 MET D CG 1 ATOM 11177 S SD . MET D 1 295 ? -32.889 7.612 -57.243 1.00 45.94 ? 362 MET D SD 1 ATOM 11178 C CE . MET D 1 295 ? -33.893 9.012 -57.722 1.00 45.00 ? 362 MET D CE 1 ATOM 11179 N N . GLY D 1 296 ? -29.857 12.041 -57.510 1.00 39.17 ? 363 GLY D N 1 ATOM 11180 C CA . GLY D 1 296 ? -30.515 13.318 -57.229 1.00 38.55 ? 363 GLY D CA 1 ATOM 11181 C C . GLY D 1 296 ? -31.832 13.445 -57.980 1.00 36.74 ? 363 GLY D C 1 ATOM 11182 O O . GLY D 1 296 ? -32.108 12.700 -58.901 1.00 39.34 ? 363 GLY D O 1 ATOM 11183 N N . ARG D 1 297 ? -32.661 14.382 -57.549 1.00 40.83 ? 364 ARG D N 1 ATOM 11184 C CA . ARG D 1 297 ? -33.848 14.773 -58.292 1.00 36.53 ? 364 ARG D CA 1 ATOM 11185 C C . ARG D 1 297 ? -34.436 16.061 -57.761 1.00 35.82 ? 364 ARG D C 1 ATOM 11186 O O . ARG D 1 297 ? -34.099 16.504 -56.650 1.00 35.54 ? 364 ARG D O 1 ATOM 11187 C CB . ARG D 1 297 ? -34.887 13.681 -58.232 1.00 39.75 ? 364 ARG D CB 1 ATOM 11188 C CG . ARG D 1 297 ? -35.466 13.470 -56.862 1.00 38.11 ? 364 ARG D CG 1 ATOM 11189 C CD . ARG D 1 297 ? -36.352 12.240 -56.845 1.00 39.70 ? 364 ARG D CD 1 ATOM 11190 N NE . ARG D 1 297 ? -37.156 12.156 -55.613 1.00 42.03 ? 364 ARG D NE 1 ATOM 11191 C CZ . ARG D 1 297 ? -38.050 11.215 -55.354 1.00 40.64 ? 364 ARG D CZ 1 ATOM 11192 N NH1 . ARG D 1 297 ? -38.638 11.208 -54.206 1.00 46.37 ? 364 ARG D NH1 1 ATOM 11193 N NH2 . ARG D 1 297 ? -38.314 10.252 -56.214 1.00 44.38 ? 364 ARG D NH2 1 ATOM 11194 N N . THR D 1 298 ? -35.346 16.648 -58.537 1.00 34.49 ? 365 THR D N 1 ATOM 11195 C CA . THR D 1 298 ? -36.067 17.846 -58.114 1.00 37.41 ? 365 THR D CA 1 ATOM 11196 C C . THR D 1 298 ? -37.001 17.436 -56.962 1.00 37.20 ? 365 THR D C 1 ATOM 11197 O O . THR D 1 298 ? -37.374 16.283 -56.872 1.00 37.19 ? 365 THR D O 1 ATOM 11198 C CB . THR D 1 298 ? -36.922 18.473 -59.229 1.00 40.51 ? 365 THR D CB 1 ATOM 11199 O OG1 . THR D 1 298 ? -37.941 17.562 -59.639 1.00 35.70 ? 365 THR D OG1 1 ATOM 11200 C CG2 . THR D 1 298 ? -36.093 18.856 -60.406 1.00 43.93 ? 365 THR D CG2 1 ATOM 11201 N N . ILE D 1 299 ? -37.267 18.333 -56.031 1.00 39.54 ? 366 ILE D N 1 ATOM 11202 C CA . ILE D 1 299 ? -38.149 17.968 -54.920 1.00 41.67 ? 366 ILE D CA 1 ATOM 11203 C C . ILE D 1 299 ? -39.570 17.916 -55.449 1.00 40.23 ? 366 ILE D C 1 ATOM 11204 O O . ILE D 1 299 ? -40.313 17.009 -55.106 1.00 43.39 ? 366 ILE D O 1 ATOM 11205 C CB . ILE D 1 299 ? -38.000 18.893 -53.702 1.00 43.06 ? 366 ILE D CB 1 ATOM 11206 C CG1 . ILE D 1 299 ? -36.658 18.610 -53.033 1.00 42.86 ? 366 ILE D CG1 1 ATOM 11207 C CG2 . ILE D 1 299 ? -39.134 18.681 -52.654 1.00 38.42 ? 366 ILE D CG2 1 ATOM 11208 C CD1 . ILE D 1 299 ? -36.219 19.704 -52.082 1.00 44.34 ? 366 ILE D CD1 1 ATOM 11209 N N . SER D 1 300 ? -39.955 18.881 -56.275 1.00 45.32 ? 367 SER D N 1 ATOM 11210 C CA . SER D 1 300 ? -41.313 18.857 -56.890 1.00 45.46 ? 367 SER D CA 1 ATOM 11211 C C . SER D 1 300 ? -41.422 17.726 -57.909 1.00 48.08 ? 367 SER D C 1 ATOM 11212 O O . SER D 1 300 ? -40.461 17.415 -58.628 1.00 52.70 ? 367 SER D O 1 ATOM 11213 C CB . SER D 1 300 ? -41.646 20.180 -57.535 1.00 40.67 ? 367 SER D CB 1 ATOM 11214 O OG . SER D 1 300 ? -42.736 20.059 -58.445 1.00 45.46 ? 367 SER D OG 1 ATOM 11215 N N . GLU D 1 301 ? -42.581 17.104 -57.935 1.00 46.60 ? 368 GLU D N 1 ATOM 11216 C CA . GLU D 1 301 ? -42.893 16.039 -58.900 1.00 51.44 ? 368 GLU D CA 1 ATOM 11217 C C . GLU D 1 301 ? -43.417 16.614 -60.193 1.00 49.66 ? 368 GLU D C 1 ATOM 11218 O O . GLU D 1 301 ? -43.527 15.892 -61.193 1.00 48.90 ? 368 GLU D O 1 ATOM 11219 C CB . GLU D 1 301 ? -43.955 15.100 -58.318 1.00 53.84 ? 368 GLU D CB 1 ATOM 11220 C CG . GLU D 1 301 ? -43.396 14.253 -57.191 1.00 62.94 ? 368 GLU D CG 1 ATOM 11221 C CD . GLU D 1 301 ? -44.217 14.259 -55.914 1.00 69.07 ? 368 GLU D CD 1 ATOM 11222 O OE1 . GLU D 1 301 ? -45.196 15.013 -55.845 1.00 78.68 ? 368 GLU D OE1 1 ATOM 11223 O OE2 . GLU D 1 301 ? -43.847 13.536 -54.956 1.00 74.22 ? 368 GLU D OE2 1 ATOM 11224 N N . ASP D 1 302 ? -43.736 17.902 -60.169 1.00 44.70 ? 369 ASP D N 1 ATOM 11225 C CA . ASP D 1 302 ? -44.345 18.559 -61.319 1.00 48.38 ? 369 ASP D CA 1 ATOM 11226 C C . ASP D 1 302 ? -43.423 19.480 -62.035 1.00 49.94 ? 369 ASP D C 1 ATOM 11227 O O . ASP D 1 302 ? -43.475 19.592 -63.224 1.00 47.49 ? 369 ASP D O 1 ATOM 11228 C CB . ASP D 1 302 ? -45.553 19.415 -60.882 1.00 50.65 ? 369 ASP D CB 1 ATOM 11229 C CG . ASP D 1 302 ? -46.644 18.590 -60.196 1.00 53.82 ? 369 ASP D CG 1 ATOM 11230 O OD1 . ASP D 1 302 ? -46.972 17.469 -60.671 1.00 51.64 ? 369 ASP D OD1 1 ATOM 11231 O OD2 . ASP D 1 302 ? -47.147 19.051 -59.167 1.00 60.61 ? 369 ASP D OD2 1 ATOM 11232 N N . SER D 1 303 ? -42.601 20.199 -61.304 1.00 50.39 ? 370 SER D N 1 ATOM 11233 C CA . SER D 1 303 ? -41.806 21.200 -61.949 1.00 46.65 ? 370 SER D CA 1 ATOM 11234 C C . SER D 1 303 ? -40.369 21.183 -61.433 1.00 43.19 ? 370 SER D C 1 ATOM 11235 O O . SER D 1 303 ? -40.017 20.482 -60.463 1.00 47.42 ? 370 SER D O 1 ATOM 11236 C CB . SER D 1 303 ? -42.482 22.564 -61.750 1.00 50.98 ? 370 SER D CB 1 ATOM 11237 O OG . SER D 1 303 ? -42.406 22.926 -60.389 1.00 57.54 ? 370 SER D OG 1 ATOM 11238 N N . ARG D 1 304 ? -39.534 21.943 -62.115 1.00 41.72 ? 371 ARG D N 1 ATOM 11239 C CA . ARG D 1 304 ? -38.126 21.988 -61.818 1.00 41.23 ? 371 ARG D CA 1 ATOM 11240 C C . ARG D 1 304 ? -37.854 22.942 -60.662 1.00 41.13 ? 371 ARG D C 1 ATOM 11241 O O . ARG D 1 304 ? -37.243 23.981 -60.825 1.00 38.65 ? 371 ARG D O 1 ATOM 11242 C CB . ARG D 1 304 ? -37.340 22.360 -63.064 1.00 39.26 ? 371 ARG D CB 1 ATOM 11243 C CG . ARG D 1 304 ? -37.498 21.395 -64.217 1.00 41.11 ? 371 ARG D CG 1 ATOM 11244 C CD . ARG D 1 304 ? -37.027 22.022 -65.540 1.00 39.58 ? 371 ARG D CD 1 ATOM 11245 N NE . ARG D 1 304 ? -37.096 21.023 -66.601 1.00 42.74 ? 371 ARG D NE 1 ATOM 11246 C CZ . ARG D 1 304 ? -36.540 21.125 -67.795 1.00 35.67 ? 371 ARG D CZ 1 ATOM 11247 N NH1 . ARG D 1 304 ? -35.882 22.187 -68.120 1.00 36.99 ? 371 ARG D NH1 1 ATOM 11248 N NH2 . ARG D 1 304 ? -36.645 20.127 -68.651 1.00 39.19 ? 371 ARG D NH2 1 ATOM 11249 N N . SER D 1 305 ? -38.304 22.536 -59.484 1.00 40.03 ? 372 SER D N 1 ATOM 11250 C CA . SER D 1 305 ? -38.156 23.324 -58.285 1.00 41.09 ? 372 SER D CA 1 ATOM 11251 C C . SER D 1 305 ? -37.614 22.400 -57.154 1.00 41.60 ? 372 SER D C 1 ATOM 11252 O O . SER D 1 305 ? -37.961 21.219 -57.041 1.00 36.83 ? 372 SER D O 1 ATOM 11253 C CB . SER D 1 305 ? -39.459 24.007 -57.920 1.00 41.98 ? 372 SER D CB 1 ATOM 11254 O OG . SER D 1 305 ? -40.338 23.110 -57.323 1.00 50.65 ? 372 SER D OG 1 ATOM 11255 N N . GLY D 1 306 ? -36.681 22.939 -56.383 1.00 43.03 ? 373 GLY D N 1 ATOM 11256 C CA . GLY D 1 306 ? -35.971 22.179 -55.359 1.00 42.16 ? 373 GLY D CA 1 ATOM 11257 C C . GLY D 1 306 ? -34.990 21.159 -55.892 1.00 38.83 ? 373 GLY D C 1 ATOM 11258 O O . GLY D 1 306 ? -34.961 20.860 -57.095 1.00 40.90 ? 373 GLY D O 1 ATOM 11259 N N . TYR D 1 307 ? -34.204 20.593 -54.976 1.00 35.87 ? 374 TYR D N 1 ATOM 11260 C CA . TYR D 1 307 ? -33.287 19.514 -55.306 1.00 38.30 ? 374 TYR D CA 1 ATOM 11261 C C . TYR D 1 307 ? -32.869 18.752 -54.037 1.00 37.43 ? 374 TYR D C 1 ATOM 11262 O O . TYR D 1 307 ? -32.617 19.352 -53.011 1.00 37.31 ? 374 TYR D O 1 ATOM 11263 C CB . TYR D 1 307 ? -32.036 20.042 -56.059 1.00 36.88 ? 374 TYR D CB 1 ATOM 11264 C CG . TYR D 1 307 ? -31.364 18.979 -56.895 1.00 35.88 ? 374 TYR D CG 1 ATOM 11265 C CD1 . TYR D 1 307 ? -31.805 18.703 -58.179 1.00 40.28 ? 374 TYR D CD1 1 ATOM 11266 C CD2 . TYR D 1 307 ? -30.358 18.198 -56.389 1.00 35.00 ? 374 TYR D CD2 1 ATOM 11267 C CE1 . TYR D 1 307 ? -31.229 17.711 -58.962 1.00 34.89 ? 374 TYR D CE1 1 ATOM 11268 C CE2 . TYR D 1 307 ? -29.792 17.177 -57.152 1.00 35.19 ? 374 TYR D CE2 1 ATOM 11269 C CZ . TYR D 1 307 ? -30.230 16.953 -58.437 1.00 36.74 ? 374 TYR D CZ 1 ATOM 11270 O OH . TYR D 1 307 ? -29.695 15.930 -59.206 1.00 44.37 ? 374 TYR D OH 1 ATOM 11271 N N . GLU D 1 308 ? -32.795 17.428 -54.169 1.00 40.14 ? 375 GLU D N 1 ATOM 11272 C CA . GLU D 1 308 ? -32.548 16.505 -53.070 1.00 37.62 ? 375 GLU D CA 1 ATOM 11273 C C . GLU D 1 308 ? -31.728 15.365 -53.572 1.00 38.17 ? 375 GLU D C 1 ATOM 11274 O O . GLU D 1 308 ? -31.838 14.977 -54.750 1.00 39.10 ? 375 GLU D O 1 ATOM 11275 C CB . GLU D 1 308 ? -33.859 15.941 -52.480 1.00 41.94 ? 375 GLU D CB 1 ATOM 11276 C CG . GLU D 1 308 ? -34.760 15.157 -53.456 1.00 45.53 ? 375 GLU D CG 1 ATOM 11277 C CD . GLU D 1 308 ? -36.082 14.615 -52.832 1.00 47.99 ? 375 GLU D CD 1 ATOM 11278 O OE1 . GLU D 1 308 ? -36.236 14.737 -51.603 1.00 41.26 ? 375 GLU D OE1 1 ATOM 11279 O OE2 . GLU D 1 308 ? -37.002 14.081 -53.571 1.00 47.38 ? 375 GLU D OE2 1 ATOM 11280 N N . THR D 1 309 ? -30.901 14.829 -52.678 1.00 36.86 ? 376 THR D N 1 ATOM 11281 C CA . THR D 1 309 ? -30.173 13.635 -52.934 1.00 40.21 ? 376 THR D CA 1 ATOM 11282 C C . THR D 1 309 ? -30.437 12.604 -51.868 1.00 42.28 ? 376 THR D C 1 ATOM 11283 O O . THR D 1 309 ? -30.827 12.929 -50.768 1.00 41.39 ? 376 THR D O 1 ATOM 11284 C CB . THR D 1 309 ? -28.676 13.835 -52.946 1.00 47.18 ? 376 THR D CB 1 ATOM 11285 O OG1 . THR D 1 309 ? -28.277 14.515 -51.758 1.00 51.44 ? 376 THR D OG1 1 ATOM 11286 C CG2 . THR D 1 309 ? -28.279 14.640 -54.119 1.00 49.99 ? 376 THR D CG2 1 ATOM 11287 N N . PHE D 1 310 ? -30.305 11.335 -52.250 1.00 41.80 ? 377 PHE D N 1 ATOM 11288 C CA . PHE D 1 310 ? -30.427 10.259 -51.318 1.00 42.25 ? 377 PHE D CA 1 ATOM 11289 C C . PHE D 1 310 ? -29.890 8.984 -51.910 1.00 41.73 ? 377 PHE D C 1 ATOM 11290 O O . PHE D 1 310 ? -29.581 8.867 -53.123 1.00 37.06 ? 377 PHE D O 1 ATOM 11291 C CB . PHE D 1 310 ? -31.880 10.072 -50.846 1.00 42.90 ? 377 PHE D CB 1 ATOM 11292 C CG . PHE D 1 310 ? -32.892 9.949 -51.965 1.00 45.00 ? 377 PHE D CG 1 ATOM 11293 C CD1 . PHE D 1 310 ? -33.047 8.774 -52.672 1.00 44.65 ? 377 PHE D CD1 1 ATOM 11294 C CD2 . PHE D 1 310 ? -33.716 10.990 -52.256 1.00 41.67 ? 377 PHE D CD2 1 ATOM 11295 C CE1 . PHE D 1 310 ? -33.979 8.675 -53.701 1.00 47.38 ? 377 PHE D CE1 1 ATOM 11296 C CE2 . PHE D 1 310 ? -34.648 10.903 -53.278 1.00 50.04 ? 377 PHE D CE2 1 ATOM 11297 C CZ . PHE D 1 310 ? -34.784 9.745 -54.015 1.00 44.42 ? 377 PHE D CZ 1 ATOM 11298 N N . ARG D 1 311 ? -29.792 8.017 -51.019 1.00 40.82 ? 378 ARG D N 1 ATOM 11299 C CA . ARG D 1 311 ? -29.504 6.665 -51.412 1.00 44.40 ? 378 ARG D CA 1 ATOM 11300 C C . ARG D 1 311 ? -30.719 5.777 -51.274 1.00 43.02 ? 378 ARG D C 1 ATOM 11301 O O . ARG D 1 311 ? -31.530 5.890 -50.321 1.00 40.55 ? 378 ARG D O 1 ATOM 11302 C CB . ARG D 1 311 ? -28.415 6.175 -50.529 1.00 45.04 ? 378 ARG D CB 1 ATOM 11303 C CG . ARG D 1 311 ? -27.978 4.772 -50.839 1.00 46.34 ? 378 ARG D CG 1 ATOM 11304 C CD . ARG D 1 311 ? -26.614 4.534 -50.237 1.00 53.04 ? 378 ARG D CD 1 ATOM 11305 N NE . ARG D 1 311 ? -26.707 3.662 -49.098 1.00 61.61 ? 378 ARG D NE 1 ATOM 11306 C CZ . ARG D 1 311 ? -26.565 4.004 -47.834 1.00 63.88 ? 378 ARG D CZ 1 ATOM 11307 N NH1 . ARG D 1 311 ? -26.702 3.072 -46.914 1.00 69.89 ? 378 ARG D NH1 1 ATOM 11308 N NH2 . ARG D 1 311 ? -26.276 5.226 -47.482 1.00 77.33 ? 378 ARG D NH2 1 ATOM 11309 N N . VAL D 1 312 ? -30.848 4.852 -52.205 1.00 42.12 ? 379 VAL D N 1 ATOM 11310 C CA . VAL D 1 312 ? -31.942 3.846 -52.120 1.00 43.29 ? 379 VAL D CA 1 ATOM 11311 C C . VAL D 1 312 ? -31.303 2.484 -51.948 1.00 44.13 ? 379 VAL D C 1 ATOM 11312 O O . VAL D 1 312 ? -30.587 2.015 -52.872 1.00 47.91 ? 379 VAL D O 1 ATOM 11313 C CB . VAL D 1 312 ? -32.826 3.819 -53.402 1.00 42.02 ? 379 VAL D CB 1 ATOM 11314 C CG1 . VAL D 1 312 ? -33.984 2.818 -53.244 1.00 42.56 ? 379 VAL D CG1 1 ATOM 11315 C CG2 . VAL D 1 312 ? -33.368 5.202 -53.679 1.00 41.29 ? 379 VAL D CG2 1 ATOM 11316 N N . THR D 1 313 ? -31.567 1.834 -50.811 1.00 47.35 ? 380 THR D N 1 ATOM 11317 C CA . THR D 1 313 ? -30.937 0.514 -50.527 1.00 49.69 ? 380 THR D CA 1 ATOM 11318 C C . THR D 1 313 ? -31.572 -0.489 -51.477 1.00 50.36 ? 380 THR D C 1 ATOM 11319 O O . THR D 1 313 ? -32.782 -0.492 -51.665 1.00 47.22 ? 380 THR D O 1 ATOM 11320 C CB . THR D 1 313 ? -31.036 0.075 -49.030 1.00 55.93 ? 380 THR D CB 1 ATOM 11321 O OG1 . THR D 1 313 ? -32.395 -0.036 -48.663 1.00 58.87 ? 380 THR D OG1 1 ATOM 11322 C CG2 . THR D 1 313 ? -30.420 1.120 -48.100 1.00 55.31 ? 380 THR D CG2 1 ATOM 11323 N N . ASP D 1 314 ? -30.727 -1.268 -52.150 1.00 54.89 ? 381 ASP D N 1 ATOM 11324 C CA . ASP D 1 314 ? -31.169 -2.227 -53.168 1.00 51.21 ? 381 ASP D CA 1 ATOM 11325 C C . ASP D 1 314 ? -31.769 -1.604 -54.400 1.00 48.36 ? 381 ASP D C 1 ATOM 11326 O O . ASP D 1 314 ? -32.274 -2.293 -55.274 1.00 49.12 ? 381 ASP D O 1 ATOM 11327 C CB . ASP D 1 314 ? -32.126 -3.257 -52.552 1.00 56.40 ? 381 ASP D CB 1 ATOM 11328 C CG . ASP D 1 314 ? -31.423 -4.124 -51.503 1.00 60.42 ? 381 ASP D CG 1 ATOM 11329 O OD1 . ASP D 1 314 ? -30.335 -4.700 -51.796 1.00 58.25 ? 381 ASP D OD1 1 ATOM 11330 O OD2 . ASP D 1 314 ? -31.933 -4.188 -50.366 1.00 73.27 ? 381 ASP D OD2 1 ATOM 11331 N N . GLY D 1 315 ? -31.644 -0.299 -54.517 1.00 48.63 ? 382 GLY D N 1 ATOM 11332 C CA . GLY D 1 315 ? -32.270 0.405 -55.630 1.00 50.61 ? 382 GLY D CA 1 ATOM 11333 C C . GLY D 1 315 ? -31.592 0.214 -56.981 1.00 48.42 ? 382 GLY D C 1 ATOM 11334 O O . GLY D 1 315 ? -32.109 0.668 -58.014 1.00 45.79 ? 382 GLY D O 1 ATOM 11335 N N . TRP D 1 316 ? -30.385 -0.333 -56.971 1.00 42.81 ? 383 TRP D N 1 ATOM 11336 C CA . TRP D 1 316 ? -29.714 -0.637 -58.223 1.00 45.11 ? 383 TRP D CA 1 ATOM 11337 C C . TRP D 1 316 ? -30.062 -1.988 -58.794 1.00 47.33 ? 383 TRP D C 1 ATOM 11338 O O . TRP D 1 316 ? -30.014 -2.150 -59.992 1.00 49.17 ? 383 TRP D O 1 ATOM 11339 C CB . TRP D 1 316 ? -28.193 -0.537 -58.088 1.00 41.72 ? 383 TRP D CB 1 ATOM 11340 C CG . TRP D 1 316 ? -27.525 -0.535 -59.454 1.00 45.82 ? 383 TRP D CG 1 ATOM 11341 C CD1 . TRP D 1 316 ? -26.809 -1.540 -60.018 1.00 45.67 ? 383 TRP D CD1 1 ATOM 11342 C CD2 . TRP D 1 316 ? -27.548 0.520 -60.421 1.00 46.31 ? 383 TRP D CD2 1 ATOM 11343 N NE1 . TRP D 1 316 ? -26.362 -1.184 -61.274 1.00 42.50 ? 383 TRP D NE1 1 ATOM 11344 C CE2 . TRP D 1 316 ? -26.805 0.081 -61.547 1.00 46.32 ? 383 TRP D CE2 1 ATOM 11345 C CE3 . TRP D 1 316 ? -28.087 1.809 -60.430 1.00 46.77 ? 383 TRP D CE3 1 ATOM 11346 C CZ2 . TRP D 1 316 ? -26.604 0.890 -62.675 1.00 49.24 ? 383 TRP D CZ2 1 ATOM 11347 C CZ3 . TRP D 1 316 ? -27.895 2.618 -61.551 1.00 47.14 ? 383 TRP D CZ3 1 ATOM 11348 C CH2 . TRP D 1 316 ? -27.168 2.153 -62.662 1.00 51.15 ? 383 TRP D CH2 1 ATOM 11349 N N . THR D 1 317 ? -30.305 -2.986 -57.950 1.00 51.16 ? 384 THR D N 1 ATOM 11350 C CA . THR D 1 317 ? -30.469 -4.360 -58.451 1.00 49.36 ? 384 THR D CA 1 ATOM 11351 C C . THR D 1 317 ? -31.812 -4.984 -58.215 1.00 51.39 ? 384 THR D C 1 ATOM 11352 O O . THR D 1 317 ? -32.069 -6.003 -58.774 1.00 50.69 ? 384 THR D O 1 ATOM 11353 C CB . THR D 1 317 ? -29.385 -5.336 -57.908 1.00 49.97 ? 384 THR D CB 1 ATOM 11354 O OG1 . THR D 1 317 ? -29.364 -5.300 -56.476 1.00 46.32 ? 384 THR D OG1 1 ATOM 11355 C CG2 . THR D 1 317 ? -27.991 -4.968 -58.489 1.00 48.55 ? 384 THR D CG2 1 ATOM 11356 N N . THR D 1 318 ? -32.662 -4.400 -57.387 1.00 54.33 ? 385 THR D N 1 ATOM 11357 C CA . THR D 1 318 ? -33.998 -4.942 -57.132 1.00 47.78 ? 385 THR D CA 1 ATOM 11358 C C . THR D 1 318 ? -35.064 -3.991 -57.630 1.00 49.53 ? 385 THR D C 1 ATOM 11359 O O . THR D 1 318 ? -35.159 -2.834 -57.199 1.00 50.67 ? 385 THR D O 1 ATOM 11360 C CB . THR D 1 318 ? -34.236 -5.114 -55.636 1.00 52.95 ? 385 THR D CB 1 ATOM 11361 O OG1 . THR D 1 318 ? -33.252 -5.992 -55.117 1.00 60.96 ? 385 THR D OG1 1 ATOM 11362 C CG2 . THR D 1 318 ? -35.633 -5.659 -55.350 1.00 53.82 ? 385 THR D CG2 1 ATOM 11363 N N . ALA D 1 319 ? -35.870 -4.477 -58.550 1.00 52.76 ? 386 ALA D N 1 ATOM 11364 C CA . ALA D 1 319 ? -36.933 -3.681 -59.156 1.00 48.11 ? 386 ALA D CA 1 ATOM 11365 C C . ALA D 1 319 ? -37.797 -3.097 -58.100 1.00 52.54 ? 386 ALA D C 1 ATOM 11366 O O . ALA D 1 319 ? -38.263 -3.790 -57.161 1.00 49.28 ? 386 ALA D O 1 ATOM 11367 C CB . ALA D 1 319 ? -37.761 -4.538 -60.096 1.00 51.28 ? 386 ALA D CB 1 ATOM 11368 N N . ASN D 1 320 ? -37.987 -1.791 -58.219 1.00 53.44 ? 387 ASN D N 1 ATOM 11369 C CA . ASN D 1 320 ? -38.998 -1.093 -57.431 1.00 54.12 ? 387 ASN D CA 1 ATOM 11370 C C . ASN D 1 320 ? -38.698 -0.854 -55.923 1.00 53.45 ? 387 ASN D C 1 ATOM 11371 O O . ASN D 1 320 ? -39.599 -0.507 -55.179 1.00 46.81 ? 387 ASN D O 1 ATOM 11372 C CB . ASN D 1 320 ? -40.323 -1.838 -57.581 1.00 61.41 ? 387 ASN D CB 1 ATOM 11373 C CG . ASN D 1 320 ? -41.458 -0.920 -57.906 1.00 67.44 ? 387 ASN D CG 1 ATOM 11374 O OD1 . ASN D 1 320 ? -41.367 -0.122 -58.811 1.00 69.61 ? 387 ASN D OD1 1 ATOM 11375 N ND2 . ASN D 1 320 ? -42.538 -1.033 -57.175 1.00 78.30 ? 387 ASN D ND2 1 ATOM 11376 N N . SER D 1 321 ? -37.447 -0.970 -55.479 1.00 51.59 ? 388 SER D N 1 ATOM 11377 C CA . SER D 1 321 ? -37.137 -0.597 -54.091 1.00 50.89 ? 388 SER D CA 1 ATOM 11378 C C . SER D 1 321 ? -37.453 0.851 -53.851 1.00 48.34 ? 388 SER D C 1 ATOM 11379 O O . SER D 1 321 ? -37.171 1.705 -54.700 1.00 54.45 ? 388 SER D O 1 ATOM 11380 C CB . SER D 1 321 ? -35.677 -0.785 -53.727 1.00 52.36 ? 388 SER D CB 1 ATOM 11381 O OG . SER D 1 321 ? -35.203 -1.968 -54.315 1.00 69.88 ? 388 SER D OG 1 ATOM 11382 N N . LYS D 1 322 ? -38.019 1.099 -52.686 1.00 51.87 ? 389 LYS D N 1 ATOM 11383 C CA . LYS D 1 322 ? -38.425 2.429 -52.259 1.00 50.82 ? 389 LYS D CA 1 ATOM 11384 C C . LYS D 1 322 ? -37.891 2.737 -50.879 1.00 49.15 ? 389 LYS D C 1 ATOM 11385 O O . LYS D 1 322 ? -38.330 3.635 -50.197 1.00 52.02 ? 389 LYS D O 1 ATOM 11386 C CB . LYS D 1 322 ? -39.911 2.558 -52.279 1.00 51.98 ? 389 LYS D CB 1 ATOM 11387 C CG . LYS D 1 322 ? -40.432 2.585 -53.706 1.00 55.65 ? 389 LYS D CG 1 ATOM 11388 C CD . LYS D 1 322 ? -41.889 2.970 -53.750 1.00 53.58 ? 389 LYS D CD 1 ATOM 11389 C CE . LYS D 1 322 ? -42.378 2.803 -55.151 1.00 51.31 ? 389 LYS D CE 1 ATOM 11390 N NZ . LYS D 1 322 ? -43.649 3.535 -55.295 1.00 56.26 ? 389 LYS D NZ 1 ATOM 11391 N N . SER D 1 323 ? -36.801 2.085 -50.571 1.00 50.18 ? 390 SER D N 1 ATOM 11392 C CA . SER D 1 323 ? -36.215 2.158 -49.267 1.00 56.32 ? 390 SER D CA 1 ATOM 11393 C C . SER D 1 323 ? -35.086 3.243 -49.165 1.00 51.14 ? 390 SER D C 1 ATOM 11394 O O . SER D 1 323 ? -33.875 2.963 -49.313 1.00 44.14 ? 390 SER D O 1 ATOM 11395 C CB . SER D 1 323 ? -35.721 0.747 -48.989 1.00 61.09 ? 390 SER D CB 1 ATOM 11396 O OG . SER D 1 323 ? -35.244 0.727 -47.708 1.00 76.91 ? 390 SER D OG 1 ATOM 11397 N N . GLN D 1 324 ? -35.457 4.502 -48.940 1.00 48.08 ? 391 GLN D N 1 ATOM 11398 C CA . GLN D 1 324 ? -34.426 5.529 -48.934 1.00 50.21 ? 391 GLN D CA 1 ATOM 11399 C C . GLN D 1 324 ? -33.794 5.813 -47.577 1.00 48.36 ? 391 GLN D C 1 ATOM 11400 O O . GLN D 1 324 ? -34.372 5.625 -46.550 1.00 48.03 ? 391 GLN D O 1 ATOM 11401 C CB . GLN D 1 324 ? -34.841 6.849 -49.595 1.00 50.15 ? 391 GLN D CB 1 ATOM 11402 C CG . GLN D 1 324 ? -35.839 7.708 -48.855 1.00 53.26 ? 391 GLN D CG 1 ATOM 11403 C CD . GLN D 1 324 ? -35.724 9.193 -49.213 1.00 50.41 ? 391 GLN D CD 1 ATOM 11404 O OE1 . GLN D 1 324 ? -35.140 9.959 -48.483 1.00 49.14 ? 391 GLN D OE1 1 ATOM 11405 N NE2 . GLN D 1 324 ? -36.234 9.569 -50.343 1.00 44.50 ? 391 GLN D NE2 1 ATOM 11406 N N . VAL D 1 325 ? -32.583 6.311 -47.663 1.00 45.17 ? 392 VAL D N 1 ATOM 11407 C CA . VAL D 1 325 ? -31.811 6.697 -46.547 1.00 44.95 ? 392 VAL D CA 1 ATOM 11408 C C . VAL D 1 325 ? -30.845 7.829 -46.978 1.00 46.64 ? 392 VAL D C 1 ATOM 11409 O O . VAL D 1 325 ? -30.539 7.987 -48.148 1.00 42.00 ? 392 VAL D O 1 ATOM 11410 C CB . VAL D 1 325 ? -31.082 5.440 -45.928 1.00 46.49 ? 392 VAL D CB 1 ATOM 11411 C CG1 . VAL D 1 325 ? -30.055 4.843 -46.862 1.00 45.26 ? 392 VAL D CG1 1 ATOM 11412 C CG2 . VAL D 1 325 ? -30.404 5.800 -44.607 1.00 48.35 ? 392 VAL D CG2 1 ATOM 11413 N N . ASN D 1 326 ? -30.366 8.588 -46.004 1.00 45.92 ? 393 ASN D N 1 ATOM 11414 C CA . ASN D 1 326 ? -29.356 9.616 -46.229 1.00 46.31 ? 393 ASN D CA 1 ATOM 11415 C C . ASN D 1 326 ? -29.780 10.749 -47.115 1.00 49.60 ? 393 ASN D C 1 ATOM 11416 O O . ASN D 1 326 ? -29.002 11.237 -47.944 1.00 45.93 ? 393 ASN D O 1 ATOM 11417 C CB . ASN D 1 326 ? -28.057 9.013 -46.768 1.00 49.09 ? 393 ASN D CB 1 ATOM 11418 C CG . ASN D 1 326 ? -27.376 8.081 -45.767 1.00 49.50 ? 393 ASN D CG 1 ATOM 11419 O OD1 . ASN D 1 326 ? -26.598 7.245 -46.155 1.00 54.43 ? 393 ASN D OD1 1 ATOM 11420 N ND2 . ASN D 1 326 ? -27.595 8.299 -44.487 1.00 50.61 ? 393 ASN D ND2 1 ATOM 11421 N N . ARG D 1 327 ? -31.026 11.150 -46.959 1.00 42.40 ? 394 ARG D N 1 ATOM 11422 C CA . ARG D 1 327 ? -31.488 12.252 -47.676 1.00 42.17 ? 394 ARG D CA 1 ATOM 11423 C C . ARG D 1 327 ? -30.776 13.549 -47.270 1.00 45.67 ? 394 ARG D C 1 ATOM 11424 O O . ARG D 1 327 ? -30.564 13.790 -46.081 1.00 46.25 ? 394 ARG D O 1 ATOM 11425 C CB . ARG D 1 327 ? -32.971 12.422 -47.439 1.00 45.17 ? 394 ARG D CB 1 ATOM 11426 C CG . ARG D 1 327 ? -33.561 13.614 -48.175 1.00 43.09 ? 394 ARG D CG 1 ATOM 11427 C CD . ARG D 1 327 ? -35.040 13.581 -48.069 1.00 43.00 ? 394 ARG D CD 1 ATOM 11428 N NE . ARG D 1 327 ? -35.653 14.613 -48.866 1.00 43.72 ? 394 ARG D NE 1 ATOM 11429 C CZ . ARG D 1 327 ? -36.360 15.663 -48.428 1.00 48.04 ? 394 ARG D CZ 1 ATOM 11430 N NH1 . ARG D 1 327 ? -36.495 15.931 -47.147 1.00 52.03 ? 394 ARG D NH1 1 ATOM 11431 N NH2 . ARG D 1 327 ? -36.925 16.471 -49.332 1.00 47.83 ? 394 ARG D NH2 1 ATOM 11432 N N . GLN D 1 328 ? -30.500 14.387 -48.284 1.00 38.46 ? 395 GLN D N 1 ATOM 11433 C CA . GLN D 1 328 ? -30.122 15.751 -48.102 1.00 36.26 ? 395 GLN D CA 1 ATOM 11434 C C . GLN D 1 328 ? -30.888 16.668 -49.043 1.00 38.22 ? 395 GLN D C 1 ATOM 11435 O O . GLN D 1 328 ? -31.032 16.398 -50.213 1.00 40.46 ? 395 GLN D O 1 ATOM 11436 C CB . GLN D 1 328 ? -28.641 15.965 -48.351 1.00 39.10 ? 395 GLN D CB 1 ATOM 11437 C CG . GLN D 1 328 ? -27.722 15.136 -47.490 1.00 37.55 ? 395 GLN D CG 1 ATOM 11438 C CD . GLN D 1 328 ? -26.290 15.188 -47.954 1.00 36.00 ? 395 GLN D CD 1 ATOM 11439 O OE1 . GLN D 1 328 ? -25.757 14.235 -48.553 1.00 37.82 ? 395 GLN D OE1 1 ATOM 11440 N NE2 . GLN D 1 328 ? -25.640 16.266 -47.652 1.00 37.54 ? 395 GLN D NE2 1 ATOM 11441 N N . ILE D 1 329 ? -31.346 17.790 -48.493 1.00 38.15 ? 396 ILE D N 1 ATOM 11442 C CA . ILE D 1 329 ? -31.805 18.906 -49.261 1.00 37.95 ? 396 ILE D CA 1 ATOM 11443 C C . ILE D 1 329 ? -30.626 19.759 -49.766 1.00 37.34 ? 396 ILE D C 1 ATOM 11444 O O . ILE D 1 329 ? -29.807 20.206 -48.997 1.00 42.97 ? 396 ILE D O 1 ATOM 11445 C CB . ILE D 1 329 ? -32.755 19.773 -48.423 1.00 39.19 ? 396 ILE D CB 1 ATOM 11446 C CG1 . ILE D 1 329 ? -34.038 18.977 -48.184 1.00 42.19 ? 396 ILE D CG1 1 ATOM 11447 C CG2 . ILE D 1 329 ? -33.065 21.079 -49.183 1.00 39.46 ? 396 ILE D CG2 1 ATOM 11448 C CD1 . ILE D 1 329 ? -35.090 19.712 -47.415 1.00 41.99 ? 396 ILE D CD1 1 ATOM 11449 N N . ILE D 1 330 ? -30.564 19.947 -51.066 1.00 38.71 ? 397 ILE D N 1 ATOM 11450 C CA . ILE D 1 330 ? -29.550 20.808 -51.667 1.00 37.46 ? 397 ILE D CA 1 ATOM 11451 C C . ILE D 1 330 ? -30.100 22.194 -51.957 1.00 37.25 ? 397 ILE D C 1 ATOM 11452 O O . ILE D 1 330 ? -29.477 23.208 -51.660 1.00 38.09 ? 397 ILE D O 1 ATOM 11453 C CB . ILE D 1 330 ? -29.029 20.180 -52.968 1.00 37.06 ? 397 ILE D CB 1 ATOM 11454 C CG1 . ILE D 1 330 ? -28.623 18.735 -52.736 1.00 38.29 ? 397 ILE D CG1 1 ATOM 11455 C CG2 . ILE D 1 330 ? -27.858 20.993 -53.498 1.00 36.18 ? 397 ILE D CG2 1 ATOM 11456 C CD1 . ILE D 1 330 ? -27.466 18.532 -51.749 1.00 36.10 ? 397 ILE D CD1 1 ATOM 11457 N N . VAL D 1 331 ? -31.302 22.206 -52.536 1.00 40.54 ? 398 VAL D N 1 ATOM 11458 C CA . VAL D 1 331 ? -32.059 23.428 -52.783 1.00 38.52 ? 398 VAL D CA 1 ATOM 11459 C C . VAL D 1 331 ? -33.474 23.224 -52.290 1.00 38.53 ? 398 VAL D C 1 ATOM 11460 O O . VAL D 1 331 ? -34.138 22.304 -52.741 1.00 37.59 ? 398 VAL D O 1 ATOM 11461 C CB . VAL D 1 331 ? -32.124 23.735 -54.305 1.00 39.87 ? 398 VAL D CB 1 ATOM 11462 C CG1 . VAL D 1 331 ? -32.927 24.974 -54.569 1.00 39.29 ? 398 VAL D CG1 1 ATOM 11463 C CG2 . VAL D 1 331 ? -30.715 23.881 -54.908 1.00 40.96 ? 398 VAL D CG2 1 ATOM 11464 N N . ASP D 1 332 ? -33.968 24.103 -51.413 1.00 39.20 ? 399 ASP D N 1 ATOM 11465 C CA . ASP D 1 332 ? -35.320 23.912 -50.867 1.00 39.83 ? 399 ASP D CA 1 ATOM 11466 C C . ASP D 1 332 ? -36.364 24.092 -51.983 1.00 38.29 ? 399 ASP D C 1 ATOM 11467 O O . ASP D 1 332 ? -36.112 24.752 -53.034 1.00 37.26 ? 399 ASP D O 1 ATOM 11468 C CB . ASP D 1 332 ? -35.572 24.852 -49.660 1.00 40.56 ? 399 ASP D CB 1 ATOM 11469 C CG . ASP D 1 332 ? -35.475 26.345 -50.055 1.00 52.77 ? 399 ASP D CG 1 ATOM 11470 O OD1 . ASP D 1 332 ? -34.479 27.059 -49.703 1.00 60.59 ? 399 ASP D OD1 1 ATOM 11471 O OD2 . ASP D 1 332 ? -36.387 26.795 -50.800 1.00 64.51 ? 399 ASP D OD2 1 ATOM 11472 N N . ASN D 1 333 ? -37.571 23.639 -51.690 1.00 37.19 ? 400 ASN D N 1 ATOM 11473 C CA . ASN D 1 333 ? -38.671 23.655 -52.671 1.00 40.27 ? 400 ASN D CA 1 ATOM 11474 C C . ASN D 1 333 ? -39.363 24.979 -52.873 1.00 42.23 ? 400 ASN D C 1 ATOM 11475 O O . ASN D 1 333 ? -40.303 25.045 -53.626 1.00 52.56 ? 400 ASN D O 1 ATOM 11476 C CB . ASN D 1 333 ? -39.718 22.592 -52.392 1.00 41.96 ? 400 ASN D CB 1 ATOM 11477 C CG . ASN D 1 333 ? -40.536 22.236 -53.659 1.00 50.08 ? 400 ASN D CG 1 ATOM 11478 O OD1 . ASN D 1 333 ? -40.039 22.239 -54.805 1.00 47.66 ? 400 ASN D OD1 1 ATOM 11479 N ND2 . ASN D 1 333 ? -41.765 21.859 -53.441 1.00 51.35 ? 400 ASN D ND2 1 ATOM 11480 N N . ASN D 1 334 ? -38.899 26.049 -52.257 1.00 42.67 ? 401 ASN D N 1 ATOM 11481 C CA . ASN D 1 334 ? -39.328 27.385 -52.658 1.00 47.27 ? 401 ASN D CA 1 ATOM 11482 C C . ASN D 1 334 ? -38.446 28.032 -53.719 1.00 44.00 ? 401 ASN D C 1 ATOM 11483 O O . ASN D 1 334 ? -38.526 29.237 -53.915 1.00 41.92 ? 401 ASN D O 1 ATOM 11484 C CB . ASN D 1 334 ? -39.356 28.305 -51.437 1.00 53.45 ? 401 ASN D CB 1 ATOM 11485 C CG . ASN D 1 334 ? -40.386 27.883 -50.431 1.00 60.92 ? 401 ASN D CG 1 ATOM 11486 O OD1 . ASN D 1 334 ? -41.469 27.428 -50.775 1.00 62.34 ? 401 ASN D OD1 1 ATOM 11487 N ND2 . ASN D 1 334 ? -40.041 28.008 -49.171 1.00 71.23 ? 401 ASN D ND2 1 ATOM 11488 N N . ASN D 1 335 ? -37.538 27.277 -54.301 1.00 39.30 ? 402 ASN D N 1 ATOM 11489 C CA . ASN D 1 335 ? -36.538 27.849 -55.225 1.00 41.70 ? 402 ASN D CA 1 ATOM 11490 C C . ASN D 1 335 ? -36.386 27.007 -56.442 1.00 36.92 ? 402 ASN D C 1 ATOM 11491 O O . ASN D 1 335 ? -36.578 25.788 -56.391 1.00 35.19 ? 402 ASN D O 1 ATOM 11492 C CB . ASN D 1 335 ? -35.171 27.971 -54.535 1.00 44.35 ? 402 ASN D CB 1 ATOM 11493 C CG . ASN D 1 335 ? -35.136 29.134 -53.543 1.00 46.29 ? 402 ASN D CG 1 ATOM 11494 O OD1 . ASN D 1 335 ? -34.997 30.280 -53.929 1.00 42.96 ? 402 ASN D OD1 1 ATOM 11495 N ND2 . ASN D 1 335 ? -35.279 28.843 -52.304 1.00 42.99 ? 402 ASN D ND2 1 ATOM 11496 N N . TRP D 1 336 ? -36.012 27.650 -57.527 1.00 40.09 ? 403 TRP D N 1 ATOM 11497 C CA . TRP D 1 336 ? -35.928 26.980 -58.829 1.00 39.43 ? 403 TRP D CA 1 ATOM 11498 C C . TRP D 1 336 ? -34.663 26.206 -58.914 1.00 37.47 ? 403 TRP D C 1 ATOM 11499 O O . TRP D 1 336 ? -33.605 26.652 -58.445 1.00 46.12 ? 403 TRP D O 1 ATOM 11500 C CB . TRP D 1 336 ? -36.030 27.994 -59.968 1.00 43.27 ? 403 TRP D CB 1 ATOM 11501 C CG . TRP D 1 336 ? -37.325 28.730 -59.850 1.00 41.64 ? 403 TRP D CG 1 ATOM 11502 C CD1 . TRP D 1 336 ? -37.492 30.002 -59.455 1.00 40.09 ? 403 TRP D CD1 1 ATOM 11503 C CD2 . TRP D 1 336 ? -38.623 28.179 -60.037 1.00 39.14 ? 403 TRP D CD2 1 ATOM 11504 N NE1 . TRP D 1 336 ? -38.826 30.315 -59.450 1.00 44.05 ? 403 TRP D NE1 1 ATOM 11505 C CE2 . TRP D 1 336 ? -39.543 29.196 -59.765 1.00 39.59 ? 403 TRP D CE2 1 ATOM 11506 C CE3 . TRP D 1 336 ? -39.093 26.917 -60.423 1.00 42.61 ? 403 TRP D CE3 1 ATOM 11507 C CZ2 . TRP D 1 336 ? -40.909 29.005 -59.824 1.00 42.95 ? 403 TRP D CZ2 1 ATOM 11508 C CZ3 . TRP D 1 336 ? -40.462 26.700 -60.457 1.00 44.46 ? 403 TRP D CZ3 1 ATOM 11509 C CH2 . TRP D 1 336 ? -41.366 27.762 -60.174 1.00 44.71 ? 403 TRP D CH2 1 ATOM 11510 N N . SER D 1 337 ? -34.760 25.054 -59.551 1.00 37.55 ? 404 SER D N 1 ATOM 11511 C CA . SER D 1 337 ? -33.586 24.265 -59.922 1.00 39.04 ? 404 SER D CA 1 ATOM 11512 C C . SER D 1 337 ? -33.486 24.195 -61.466 1.00 38.99 ? 404 SER D C 1 ATOM 11513 O O . SER D 1 337 ? -33.628 25.232 -62.130 1.00 39.61 ? 404 SER D O 1 ATOM 11514 C CB . SER D 1 337 ? -33.575 22.888 -59.220 1.00 39.57 ? 404 SER D CB 1 ATOM 11515 O OG . SER D 1 337 ? -34.729 22.133 -59.538 1.00 38.66 ? 404 SER D OG 1 ATOM 11516 N N . GLY D 1 338 ? -33.192 23.017 -62.019 1.00 37.43 ? 405 GLY D N 1 ATOM 11517 C CA . GLY D 1 338 ? -32.867 22.879 -63.411 1.00 37.08 ? 405 GLY D CA 1 ATOM 11518 C C . GLY D 1 338 ? -32.180 21.540 -63.701 1.00 40.05 ? 405 GLY D C 1 ATOM 11519 O O . GLY D 1 338 ? -32.362 20.562 -62.965 1.00 39.73 ? 405 GLY D O 1 ATOM 11520 N N . TYR D 1 339 ? -31.386 21.499 -64.778 1.00 32.94 ? 406 TYR D N 1 ATOM 11521 C CA . TYR D 1 339 ? -30.589 20.340 -65.100 1.00 33.62 ? 406 TYR D CA 1 ATOM 11522 C C . TYR D 1 339 ? -29.620 20.017 -63.934 1.00 35.49 ? 406 TYR D C 1 ATOM 11523 O O . TYR D 1 339 ? -29.205 20.898 -63.188 1.00 36.23 ? 406 TYR D O 1 ATOM 11524 C CB . TYR D 1 339 ? -29.737 20.588 -66.375 1.00 34.71 ? 406 TYR D CB 1 ATOM 11525 C CG . TYR D 1 339 ? -30.466 20.461 -67.667 1.00 35.17 ? 406 TYR D CG 1 ATOM 11526 C CD1 . TYR D 1 339 ? -31.840 20.465 -67.735 1.00 38.67 ? 406 TYR D CD1 1 ATOM 11527 C CD2 . TYR D 1 339 ? -29.763 20.419 -68.846 1.00 37.63 ? 406 TYR D CD2 1 ATOM 11528 C CE1 . TYR D 1 339 ? -32.492 20.370 -68.977 1.00 38.73 ? 406 TYR D CE1 1 ATOM 11529 C CE2 . TYR D 1 339 ? -30.377 20.333 -70.058 1.00 35.27 ? 406 TYR D CE2 1 ATOM 11530 C CZ . TYR D 1 339 ? -31.728 20.290 -70.123 1.00 36.69 ? 406 TYR D CZ 1 ATOM 11531 O OH . TYR D 1 339 ? -32.267 20.133 -71.353 1.00 37.98 ? 406 TYR D OH 1 ATOM 11532 N N . SER D 1 340 ? -29.218 18.751 -63.834 1.00 37.43 ? 407 SER D N 1 ATOM 11533 C CA . SER D 1 340 ? -28.120 18.362 -62.949 1.00 34.83 ? 407 SER D CA 1 ATOM 11534 C C . SER D 1 340 ? -27.369 17.288 -63.619 1.00 35.44 ? 407 SER D C 1 ATOM 11535 O O . SER D 1 340 ? -27.842 16.682 -64.568 1.00 34.99 ? 407 SER D O 1 ATOM 11536 C CB . SER D 1 340 ? -28.625 17.862 -61.592 1.00 35.31 ? 407 SER D CB 1 ATOM 11537 O OG . SER D 1 340 ? -29.587 16.883 -61.778 1.00 36.29 ? 407 SER D OG 1 ATOM 11538 N N . GLY D 1 341 ? -26.139 17.113 -63.169 1.00 33.85 ? 408 GLY D N 1 ATOM 11539 C CA . GLY D 1 341 ? -25.265 16.137 -63.755 1.00 32.74 ? 408 GLY D CA 1 ATOM 11540 C C . GLY D 1 341 ? -24.115 15.750 -62.862 1.00 36.34 ? 408 GLY D C 1 ATOM 11541 O O . GLY D 1 341 ? -23.796 16.412 -61.873 1.00 39.01 ? 408 GLY D O 1 ATOM 11542 N N . ILE D 1 342 ? -23.432 14.693 -63.283 1.00 40.07 ? 409 ILE D N 1 ATOM 11543 C CA . ILE D 1 342 ? -22.329 14.126 -62.536 1.00 34.04 ? 409 ILE D CA 1 ATOM 11544 C C . ILE D 1 342 ? -21.007 14.497 -63.141 1.00 33.40 ? 409 ILE D C 1 ATOM 11545 O O . ILE D 1 342 ? -20.889 14.755 -64.346 1.00 43.79 ? 409 ILE D O 1 ATOM 11546 C CB . ILE D 1 342 ? -22.518 12.609 -62.503 1.00 36.37 ? 409 ILE D CB 1 ATOM 11547 C CG1 . ILE D 1 342 ? -21.726 11.963 -61.420 1.00 40.20 ? 409 ILE D CG1 1 ATOM 11548 C CG2 . ILE D 1 342 ? -22.199 11.938 -63.847 1.00 41.77 ? 409 ILE D CG2 1 ATOM 11549 C CD1 . ILE D 1 342 ? -22.093 10.492 -61.248 1.00 45.15 ? 409 ILE D CD1 1 ATOM 11550 N N . PHE D 1 343 ? -19.998 14.562 -62.290 1.00 35.76 ? 410 PHE D N 1 ATOM 11551 C CA . PHE D 1 343 ? -18.609 14.526 -62.719 1.00 36.33 ? 410 PHE D CA 1 ATOM 11552 C C . PHE D 1 343 ? -17.795 13.745 -61.705 1.00 37.37 ? 410 PHE D C 1 ATOM 11553 O O . PHE D 1 343 ? -18.224 13.519 -60.551 1.00 39.49 ? 410 PHE D O 1 ATOM 11554 C CB . PHE D 1 343 ? -18.009 15.927 -62.967 1.00 38.89 ? 410 PHE D CB 1 ATOM 11555 C CG . PHE D 1 343 ? -17.923 16.799 -61.744 1.00 35.82 ? 410 PHE D CG 1 ATOM 11556 C CD1 . PHE D 1 343 ? -16.688 17.041 -61.142 1.00 37.61 ? 410 PHE D CD1 1 ATOM 11557 C CD2 . PHE D 1 343 ? -19.031 17.414 -61.228 1.00 34.85 ? 410 PHE D CD2 1 ATOM 11558 C CE1 . PHE D 1 343 ? -16.556 17.863 -60.038 1.00 36.50 ? 410 PHE D CE1 1 ATOM 11559 C CE2 . PHE D 1 343 ? -18.931 18.237 -60.100 1.00 36.69 ? 410 PHE D CE2 1 ATOM 11560 C CZ . PHE D 1 343 ? -17.685 18.468 -59.507 1.00 39.32 ? 410 PHE D CZ 1 ATOM 11561 N N . SER D 1 344 ? -16.632 13.299 -62.168 1.00 34.85 ? 411 SER D N 1 ATOM 11562 C CA . SER D 1 344 ? -15.818 12.417 -61.397 1.00 36.40 ? 411 SER D CA 1 ATOM 11563 C C . SER D 1 344 ? -14.409 12.991 -61.141 1.00 39.14 ? 411 SER D C 1 ATOM 11564 O O . SER D 1 344 ? -13.882 13.703 -61.967 1.00 34.64 ? 411 SER D O 1 ATOM 11565 C CB . SER D 1 344 ? -15.726 11.052 -62.063 1.00 32.79 ? 411 SER D CB 1 ATOM 11566 O OG . SER D 1 344 ? -16.987 10.440 -62.201 1.00 36.32 ? 411 SER D OG 1 ATOM 11567 N N . VAL D 1 345 ? -13.838 12.649 -59.976 1.00 37.53 ? 412 VAL D N 1 ATOM 11568 C CA . VAL D 1 345 ? -12.571 13.171 -59.540 1.00 38.40 ? 412 VAL D CA 1 ATOM 11569 C C . VAL D 1 345 ? -11.658 12.061 -59.021 1.00 39.07 ? 412 VAL D C 1 ATOM 11570 O O . VAL D 1 345 ? -12.044 11.273 -58.155 1.00 42.23 ? 412 VAL D O 1 ATOM 11571 C CB . VAL D 1 345 ? -12.797 14.212 -58.417 1.00 44.52 ? 412 VAL D CB 1 ATOM 11572 C CG1 . VAL D 1 345 ? -11.472 14.750 -57.864 1.00 52.33 ? 412 VAL D CG1 1 ATOM 11573 C CG2 . VAL D 1 345 ? -13.552 15.385 -58.967 1.00 47.47 ? 412 VAL D CG2 1 ATOM 11574 N N . GLU D 1 346 ? -10.458 12.009 -59.538 1.00 39.07 ? 413 GLU D N 1 ATOM 11575 C CA . GLU D 1 346 ? -9.515 10.975 -59.152 1.00 47.73 ? 413 GLU D CA 1 ATOM 11576 C C . GLU D 1 346 ? -8.765 11.381 -57.887 1.00 45.87 ? 413 GLU D C 1 ATOM 11577 O O . GLU D 1 346 ? -8.002 12.327 -57.907 1.00 47.54 ? 413 GLU D O 1 ATOM 11578 C CB . GLU D 1 346 ? -8.520 10.717 -60.285 1.00 48.86 ? 413 GLU D CB 1 ATOM 11579 C CG . GLU D 1 346 ? -7.681 9.474 -60.040 1.00 65.34 ? 413 GLU D CG 1 ATOM 11580 C CD . GLU D 1 346 ? -7.054 8.841 -61.298 1.00 71.15 ? 413 GLU D CD 1 ATOM 11581 O OE1 . GLU D 1 346 ? -7.277 9.326 -62.432 1.00 74.03 ? 413 GLU D OE1 1 ATOM 11582 O OE2 . GLU D 1 346 ? -6.334 7.820 -61.128 1.00 70.00 ? 413 GLU D OE2 1 ATOM 11583 N N . GLY D 1 347 ? -8.962 10.666 -56.805 1.00 42.44 ? 414 GLY D N 1 ATOM 11584 C CA . GLY D 1 347 ? -8.117 10.849 -55.616 1.00 46.79 ? 414 GLY D CA 1 ATOM 11585 C C . GLY D 1 347 ? -6.925 9.897 -55.633 1.00 49.23 ? 414 GLY D C 1 ATOM 11586 O O . GLY D 1 347 ? -6.661 9.260 -56.644 1.00 54.58 ? 414 GLY D O 1 ATOM 11587 N N . LYS D 1 348 ? -6.216 9.772 -54.512 1.00 56.96 ? 415 LYS D N 1 ATOM 11588 C CA . LYS D 1 348 ? -4.990 8.919 -54.447 1.00 60.33 ? 415 LYS D CA 1 ATOM 11589 C C . LYS D 1 348 ? -5.342 7.421 -54.540 1.00 54.21 ? 415 LYS D C 1 ATOM 11590 O O . LYS D 1 348 ? -4.681 6.668 -55.246 1.00 50.18 ? 415 LYS D O 1 ATOM 11591 C CB . LYS D 1 348 ? -4.121 9.241 -53.182 1.00 72.74 ? 415 LYS D CB 1 ATOM 11592 C CG . LYS D 1 348 ? -2.625 9.422 -53.460 1.00 90.72 ? 415 LYS D CG 1 ATOM 11593 C CD . LYS D 1 348 ? -1.868 9.910 -52.219 1.00 103.47 ? 415 LYS D CD 1 ATOM 11594 C CE . LYS D 1 348 ? -0.345 9.958 -52.411 1.00 110.56 ? 415 LYS D CE 1 ATOM 11595 N NZ . LYS D 1 348 ? 0.179 11.320 -52.718 1.00 112.95 ? 415 LYS D NZ 1 ATOM 11596 N N A SER D 1 349 ? -6.422 7.031 -53.882 0.59 49.89 ? 416 SER D N 1 ATOM 11597 N N B SER D 1 349 ? -6.396 6.991 -53.852 0.41 50.08 ? 416 SER D N 1 ATOM 11598 C CA A SER D 1 349 ? -6.821 5.626 -53.856 0.59 48.95 ? 416 SER D CA 1 ATOM 11599 C CA B SER D 1 349 ? -6.813 5.582 -53.907 0.41 48.79 ? 416 SER D CA 1 ATOM 11600 C C A SER D 1 349 ? -8.207 5.312 -54.455 0.59 50.41 ? 416 SER D C 1 ATOM 11601 C C B SER D 1 349 ? -8.199 5.305 -54.523 0.41 49.77 ? 416 SER D C 1 ATOM 11602 O O A SER D 1 349 ? -8.530 4.142 -54.652 0.59 49.22 ? 416 SER D O 1 ATOM 11603 O O B SER D 1 349 ? -8.514 4.152 -54.819 0.41 48.59 ? 416 SER D O 1 ATOM 11604 C CB A SER D 1 349 ? -6.787 5.126 -52.418 0.59 48.37 ? 416 SER D CB 1 ATOM 11605 C CB B SER D 1 349 ? -6.777 4.981 -52.506 0.41 47.83 ? 416 SER D CB 1 ATOM 11606 O OG A SER D 1 349 ? -7.524 5.996 -51.575 0.59 49.53 ? 416 SER D OG 1 ATOM 11607 O OG B SER D 1 349 ? -5.528 5.229 -51.894 0.41 48.46 ? 416 SER D OG 1 ATOM 11608 N N . CYS D 1 350 ? -9.026 6.327 -54.729 1.00 48.46 ? 417 CYS D N 1 ATOM 11609 C CA . CYS D 1 350 ? -10.359 6.080 -55.239 1.00 49.57 ? 417 CYS D CA 1 ATOM 11610 C C . CYS D 1 350 ? -10.921 7.230 -56.047 1.00 46.50 ? 417 CYS D C 1 ATOM 11611 O O . CYS D 1 350 ? -10.369 8.324 -56.074 1.00 45.62 ? 417 CYS D O 1 ATOM 11612 C CB . CYS D 1 350 ? -11.311 5.684 -54.104 1.00 52.55 ? 417 CYS D CB 1 ATOM 11613 S SG . CYS D 1 350 ? -11.552 6.979 -52.882 1.00 56.75 ? 417 CYS D SG 1 ATOM 11614 N N . ILE D 1 351 ? -11.983 6.913 -56.773 1.00 43.24 ? 418 ILE D N 1 ATOM 11615 C CA . ILE D 1 351 ? -12.640 7.858 -57.686 1.00 44.03 ? 418 ILE D CA 1 ATOM 11616 C C . ILE D 1 351 ? -13.897 8.386 -56.993 1.00 38.25 ? 418 ILE D C 1 ATOM 11617 O O . ILE D 1 351 ? -14.794 7.596 -56.644 1.00 36.45 ? 418 ILE D O 1 ATOM 11618 C CB . ILE D 1 351 ? -13.113 7.183 -59.012 1.00 41.25 ? 418 ILE D CB 1 ATOM 11619 C CG1 . ILE D 1 351 ? -11.993 6.477 -59.737 1.00 44.32 ? 418 ILE D CG1 1 ATOM 11620 C CG2 . ILE D 1 351 ? -13.742 8.212 -59.945 1.00 39.97 ? 418 ILE D CG2 1 ATOM 11621 C CD1 . ILE D 1 351 ? -10.766 7.320 -59.989 1.00 44.03 ? 418 ILE D CD1 1 ATOM 11622 N N . ASN D 1 352 ? -13.941 9.696 -56.789 1.00 33.98 ? 419 ASN D N 1 ATOM 11623 C CA . ASN D 1 352 ? -15.072 10.331 -56.116 1.00 35.12 ? 419 ASN D CA 1 ATOM 11624 C C . ASN D 1 352 ? -16.083 10.821 -57.152 1.00 38.10 ? 419 ASN D C 1 ATOM 11625 O O . ASN D 1 352 ? -15.736 11.043 -58.340 1.00 38.60 ? 419 ASN D O 1 ATOM 11626 C CB . ASN D 1 352 ? -14.592 11.439 -55.195 1.00 34.49 ? 419 ASN D CB 1 ATOM 11627 C CG . ASN D 1 352 ? -15.629 11.863 -54.139 1.00 35.70 ? 419 ASN D CG 1 ATOM 11628 O OD1 . ASN D 1 352 ? -16.582 11.168 -53.819 1.00 40.23 ? 419 ASN D OD1 1 ATOM 11629 N ND2 . ASN D 1 352 ? -15.473 13.076 -53.658 1.00 36.11 ? 419 ASN D ND2 1 ATOM 11630 N N . ARG D 1 353 ? -17.350 10.875 -56.728 1.00 38.38 ? 420 ARG D N 1 ATOM 11631 C CA . ARG D 1 353 ? -18.455 11.323 -57.564 1.00 39.21 ? 420 ARG D CA 1 ATOM 11632 C C . ARG D 1 353 ? -18.974 12.637 -56.990 1.00 40.15 ? 420 ARG D C 1 ATOM 11633 O O . ARG D 1 353 ? -19.174 12.740 -55.785 1.00 38.41 ? 420 ARG D O 1 ATOM 11634 C CB . ARG D 1 353 ? -19.594 10.311 -57.562 1.00 41.41 ? 420 ARG D CB 1 ATOM 11635 C CG . ARG D 1 353 ? -19.238 8.877 -57.931 1.00 43.57 ? 420 ARG D CG 1 ATOM 11636 C CD . ARG D 1 353 ? -18.563 8.741 -59.320 1.00 44.66 ? 420 ARG D CD 1 ATOM 11637 N NE . ARG D 1 353 ? -18.305 7.326 -59.582 1.00 40.19 ? 420 ARG D NE 1 ATOM 11638 C CZ . ARG D 1 353 ? -17.531 6.856 -60.548 1.00 41.79 ? 420 ARG D CZ 1 ATOM 11639 N NH1 . ARG D 1 353 ? -16.933 7.645 -61.470 1.00 41.79 ? 420 ARG D NH1 1 ATOM 11640 N NH2 . ARG D 1 353 ? -17.383 5.557 -60.621 1.00 39.59 ? 420 ARG D NH2 1 ATOM 11641 N N . CYS D 1 354 ? -19.157 13.613 -57.872 1.00 36.70 ? 421 CYS D N 1 ATOM 11642 C CA . CYS D 1 354 ? -19.650 14.898 -57.528 1.00 35.83 ? 421 CYS D CA 1 ATOM 11643 C C . CYS D 1 354 ? -20.806 15.235 -58.459 1.00 36.99 ? 421 CYS D C 1 ATOM 11644 O O . CYS D 1 354 ? -20.986 14.596 -59.524 1.00 39.20 ? 421 CYS D O 1 ATOM 11645 C CB . CYS D 1 354 ? -18.549 15.928 -57.696 1.00 40.69 ? 421 CYS D CB 1 ATOM 11646 S SG . CYS D 1 354 ? -17.024 15.679 -56.697 1.00 41.65 ? 421 CYS D SG 1 ATOM 11647 N N . PHE D 1 355 ? -21.581 16.266 -58.111 1.00 34.26 ? 422 PHE D N 1 ATOM 11648 C CA . PHE D 1 355 ? -22.633 16.711 -59.000 1.00 34.04 ? 422 PHE D CA 1 ATOM 11649 C C . PHE D 1 355 ? -22.834 18.195 -58.935 1.00 31.95 ? 422 PHE D C 1 ATOM 11650 O O . PHE D 1 355 ? -22.385 18.854 -58.002 1.00 34.51 ? 422 PHE D O 1 ATOM 11651 C CB . PHE D 1 355 ? -23.935 15.974 -58.741 1.00 35.50 ? 422 PHE D CB 1 ATOM 11652 C CG . PHE D 1 355 ? -24.566 16.300 -57.403 1.00 36.58 ? 422 PHE D CG 1 ATOM 11653 C CD1 . PHE D 1 355 ? -24.172 15.645 -56.262 1.00 38.18 ? 422 PHE D CD1 1 ATOM 11654 C CD2 . PHE D 1 355 ? -25.534 17.298 -57.295 1.00 37.66 ? 422 PHE D CD2 1 ATOM 11655 C CE1 . PHE D 1 355 ? -24.726 15.951 -55.021 1.00 37.29 ? 422 PHE D CE1 1 ATOM 11656 C CE2 . PHE D 1 355 ? -26.103 17.616 -56.069 1.00 39.70 ? 422 PHE D CE2 1 ATOM 11657 C CZ . PHE D 1 355 ? -25.672 16.957 -54.909 1.00 38.94 ? 422 PHE D CZ 1 ATOM 11658 N N . TYR D 1 356 ? -23.479 18.722 -59.976 1.00 33.65 ? 423 TYR D N 1 ATOM 11659 C CA . TYR D 1 356 ? -23.816 20.148 -60.063 1.00 34.53 ? 423 TYR D CA 1 ATOM 11660 C C . TYR D 1 356 ? -25.290 20.247 -60.244 1.00 32.67 ? 423 TYR D C 1 ATOM 11661 O O . TYR D 1 356 ? -25.926 19.343 -60.777 1.00 33.43 ? 423 TYR D O 1 ATOM 11662 C CB . TYR D 1 356 ? -23.075 20.851 -61.256 1.00 37.73 ? 423 TYR D CB 1 ATOM 11663 C CG . TYR D 1 356 ? -23.505 20.305 -62.594 1.00 37.95 ? 423 TYR D CG 1 ATOM 11664 C CD1 . TYR D 1 356 ? -22.824 19.262 -63.203 1.00 36.42 ? 423 TYR D CD1 1 ATOM 11665 C CD2 . TYR D 1 356 ? -24.595 20.823 -63.225 1.00 35.68 ? 423 TYR D CD2 1 ATOM 11666 C CE1 . TYR D 1 356 ? -23.232 18.756 -64.412 1.00 37.69 ? 423 TYR D CE1 1 ATOM 11667 C CE2 . TYR D 1 356 ? -25.016 20.321 -64.441 1.00 39.78 ? 423 TYR D CE2 1 ATOM 11668 C CZ . TYR D 1 356 ? -24.351 19.285 -65.026 1.00 40.59 ? 423 TYR D CZ 1 ATOM 11669 O OH . TYR D 1 356 ? -24.821 18.757 -66.228 1.00 41.14 ? 423 TYR D OH 1 ATOM 11670 N N . VAL D 1 357 ? -25.844 21.374 -59.822 1.00 37.08 ? 424 VAL D N 1 ATOM 11671 C CA . VAL D 1 357 ? -27.243 21.706 -60.083 1.00 35.42 ? 424 VAL D CA 1 ATOM 11672 C C . VAL D 1 357 ? -27.341 23.072 -60.741 1.00 34.34 ? 424 VAL D C 1 ATOM 11673 O O . VAL D 1 357 ? -26.827 24.042 -60.218 1.00 32.47 ? 424 VAL D O 1 ATOM 11674 C CB . VAL D 1 357 ? -28.088 21.744 -58.780 1.00 36.07 ? 424 VAL D CB 1 ATOM 11675 C CG1 . VAL D 1 357 ? -29.552 21.865 -59.118 1.00 35.97 ? 424 VAL D CG1 1 ATOM 11676 C CG2 . VAL D 1 357 ? -27.882 20.492 -57.957 1.00 36.36 ? 424 VAL D CG2 1 ATOM 11677 N N . GLU D 1 358 ? -28.050 23.119 -61.876 1.00 32.48 ? 425 GLU D N 1 ATOM 11678 C CA . GLU D 1 358 ? -28.347 24.351 -62.598 1.00 31.94 ? 425 GLU D CA 1 ATOM 11679 C C . GLU D 1 358 ? -29.511 24.982 -61.847 1.00 36.89 ? 425 GLU D C 1 ATOM 11680 O O . GLU D 1 358 ? -30.514 24.333 -61.634 1.00 42.80 ? 425 GLU D O 1 ATOM 11681 C CB . GLU D 1 358 ? -28.753 23.999 -64.058 1.00 31.02 ? 425 GLU D CB 1 ATOM 11682 C CG . GLU D 1 358 ? -29.010 25.173 -64.961 1.00 33.45 ? 425 GLU D CG 1 ATOM 11683 C CD . GLU D 1 358 ? -29.677 24.827 -66.288 1.00 38.29 ? 425 GLU D CD 1 ATOM 11684 O OE1 . GLU D 1 358 ? -30.411 23.828 -66.357 1.00 35.55 ? 425 GLU D OE1 1 ATOM 11685 O OE2 . GLU D 1 358 ? -29.493 25.586 -67.281 1.00 39.09 ? 425 GLU D OE2 1 ATOM 11686 N N . LEU D 1 359 ? -29.382 26.255 -61.506 1.00 37.58 ? 426 LEU D N 1 ATOM 11687 C CA . LEU D 1 359 ? -30.426 27.045 -60.866 1.00 36.66 ? 426 LEU D CA 1 ATOM 11688 C C . LEU D 1 359 ? -30.936 28.083 -61.894 1.00 38.00 ? 426 LEU D C 1 ATOM 11689 O O . LEU D 1 359 ? -30.345 29.138 -62.075 1.00 35.36 ? 426 LEU D O 1 ATOM 11690 C CB . LEU D 1 359 ? -29.850 27.742 -59.628 1.00 33.93 ? 426 LEU D CB 1 ATOM 11691 C CG . LEU D 1 359 ? -29.056 26.790 -58.731 1.00 35.67 ? 426 LEU D CG 1 ATOM 11692 C CD1 . LEU D 1 359 ? -28.329 27.497 -57.634 1.00 37.46 ? 426 LEU D CD1 1 ATOM 11693 C CD2 . LEU D 1 359 ? -29.905 25.692 -58.152 1.00 38.84 ? 426 LEU D CD2 1 ATOM 11694 N N . ILE D 1 360 ? -32.040 27.768 -62.549 1.00 36.50 ? 427 ILE D N 1 ATOM 11695 C CA . ILE D 1 360 ? -32.533 28.581 -63.636 1.00 35.92 ? 427 ILE D CA 1 ATOM 11696 C C . ILE D 1 360 ? -33.354 29.731 -63.098 1.00 35.66 ? 427 ILE D C 1 ATOM 11697 O O . ILE D 1 360 ? -34.261 29.494 -62.287 1.00 40.63 ? 427 ILE D O 1 ATOM 11698 C CB . ILE D 1 360 ? -33.420 27.737 -64.601 1.00 40.30 ? 427 ILE D CB 1 ATOM 11699 C CG1 . ILE D 1 360 ? -32.665 26.563 -65.185 1.00 38.30 ? 427 ILE D CG1 1 ATOM 11700 C CG2 . ILE D 1 360 ? -33.972 28.597 -65.733 1.00 38.65 ? 427 ILE D CG2 1 ATOM 11701 C CD1 . ILE D 1 360 ? -33.525 25.598 -65.968 1.00 38.80 ? 427 ILE D CD1 1 ATOM 11702 N N . ARG D 1 361 ? -33.086 30.950 -63.587 1.00 33.33 ? 428 ARG D N 1 ATOM 11703 C CA . ARG D 1 361 ? -33.901 32.114 -63.271 1.00 32.40 ? 428 ARG D CA 1 ATOM 11704 C C . ARG D 1 361 ? -34.428 32.776 -64.533 1.00 37.46 ? 428 ARG D C 1 ATOM 11705 O O . ARG D 1 361 ? -33.848 32.659 -65.654 1.00 35.08 ? 428 ARG D O 1 ATOM 11706 C CB . ARG D 1 361 ? -33.110 33.113 -62.483 1.00 35.34 ? 428 ARG D CB 1 ATOM 11707 C CG . ARG D 1 361 ? -32.436 32.587 -61.176 1.00 35.60 ? 428 ARG D CG 1 ATOM 11708 C CD . ARG D 1 361 ? -33.455 32.027 -60.157 1.00 38.87 ? 428 ARG D CD 1 ATOM 11709 N NE . ARG D 1 361 ? -34.463 32.995 -59.751 1.00 37.31 ? 428 ARG D NE 1 ATOM 11710 C CZ . ARG D 1 361 ? -34.418 33.785 -58.676 1.00 40.66 ? 428 ARG D CZ 1 ATOM 11711 N NH1 . ARG D 1 361 ? -33.386 33.788 -57.808 1.00 44.71 ? 428 ARG D NH1 1 ATOM 11712 N NH2 . ARG D 1 361 ? -35.416 34.611 -58.467 1.00 40.22 ? 428 ARG D NH2 1 ATOM 11713 N N . GLY D 1 362 ? -35.542 33.465 -64.376 1.00 37.27 ? 429 GLY D N 1 ATOM 11714 C CA . GLY D 1 362 ? -36.187 34.140 -65.495 1.00 37.24 ? 429 GLY D CA 1 ATOM 11715 C C . GLY D 1 362 ? -37.272 33.290 -66.136 1.00 38.75 ? 429 GLY D C 1 ATOM 11716 O O . GLY D 1 362 ? -37.922 32.502 -65.459 1.00 42.35 ? 429 GLY D O 1 ATOM 11717 N N . ARG D 1 363 ? -37.410 33.387 -67.466 1.00 41.54 ? 430 ARG D N 1 ATOM 11718 C CA . ARG D 1 363 ? -38.496 32.699 -68.172 1.00 41.15 ? 430 ARG D CA 1 ATOM 11719 C C . ARG D 1 363 ? -38.212 31.209 -68.214 1.00 40.06 ? 430 ARG D C 1 ATOM 11720 O O . ARG D 1 363 ? -37.054 30.827 -68.328 1.00 41.81 ? 430 ARG D O 1 ATOM 11721 C CB . ARG D 1 363 ? -38.653 33.221 -69.607 1.00 43.62 ? 430 ARG D CB 1 ATOM 11722 C CG . ARG D 1 363 ? -38.972 34.702 -69.749 1.00 42.78 ? 430 ARG D CG 1 ATOM 11723 C CD . ARG D 1 363 ? -40.395 34.912 -69.320 1.00 50.64 ? 430 ARG D CD 1 ATOM 11724 N NE . ARG D 1 363 ? -40.806 36.309 -69.301 1.00 59.71 ? 430 ARG D NE 1 ATOM 11725 C CZ . ARG D 1 363 ? -41.668 36.837 -70.138 1.00 54.49 ? 430 ARG D CZ 1 ATOM 11726 N NH1 . ARG D 1 363 ? -42.254 36.074 -71.039 1.00 53.55 ? 430 ARG D NH1 1 ATOM 11727 N NH2 . ARG D 1 363 ? -41.980 38.123 -70.038 1.00 58.72 ? 430 ARG D NH2 1 ATOM 11728 N N . PRO D 1 364 ? -39.264 30.361 -68.201 1.00 42.84 ? 431 PRO D N 1 ATOM 11729 C CA . PRO D 1 364 ? -40.691 30.724 -68.267 1.00 47.11 ? 431 PRO D CA 1 ATOM 11730 C C . PRO D 1 364 ? -41.328 30.998 -66.907 1.00 47.65 ? 431 PRO D C 1 ATOM 11731 O O . PRO D 1 364 ? -42.412 31.588 -66.845 1.00 51.87 ? 431 PRO D O 1 ATOM 11732 C CB . PRO D 1 364 ? -41.332 29.491 -68.917 1.00 45.10 ? 431 PRO D CB 1 ATOM 11733 C CG . PRO D 1 364 ? -40.466 28.359 -68.392 1.00 44.46 ? 431 PRO D CG 1 ATOM 11734 C CD . PRO D 1 364 ? -39.073 28.893 -68.277 1.00 38.18 ? 431 PRO D CD 1 ATOM 11735 N N . GLN D 1 365 ? -40.667 30.645 -65.824 1.00 48.59 ? 432 GLN D N 1 ATOM 11736 C CA . GLN D 1 365 ? -41.315 30.761 -64.490 1.00 48.37 ? 432 GLN D CA 1 ATOM 11737 C C . GLN D 1 365 ? -41.432 32.135 -63.944 1.00 48.57 ? 432 GLN D C 1 ATOM 11738 O O . GLN D 1 365 ? -42.334 32.401 -63.194 1.00 47.64 ? 432 GLN D O 1 ATOM 11739 C CB . GLN D 1 365 ? -40.566 29.919 -63.460 1.00 56.41 ? 432 GLN D CB 1 ATOM 11740 C CG . GLN D 1 365 ? -40.643 28.400 -63.723 1.00 69.59 ? 432 GLN D CG 1 ATOM 11741 C CD . GLN D 1 365 ? -42.082 27.801 -63.777 1.00 75.45 ? 432 GLN D CD 1 ATOM 11742 O OE1 . GLN D 1 365 ? -43.028 28.323 -63.175 1.00 83.08 ? 432 GLN D OE1 1 ATOM 11743 N NE2 . GLN D 1 365 ? -42.229 26.688 -64.478 1.00 74.52 ? 432 GLN D NE2 1 ATOM 11744 N N . GLU D 1 366 ? -40.511 33.027 -64.306 1.00 46.11 ? 433 GLU D N 1 ATOM 11745 C CA . GLU D 1 366 ? -40.492 34.375 -63.733 1.00 44.27 ? 433 GLU D CA 1 ATOM 11746 C C . GLU D 1 366 ? -40.629 35.391 -64.846 1.00 44.75 ? 433 GLU D C 1 ATOM 11747 O O . GLU D 1 366 ? -39.692 35.649 -65.597 1.00 58.25 ? 433 GLU D O 1 ATOM 11748 C CB . GLU D 1 366 ? -39.189 34.566 -62.930 1.00 44.45 ? 433 GLU D CB 1 ATOM 11749 C CG . GLU D 1 366 ? -39.087 33.629 -61.737 1.00 45.71 ? 433 GLU D CG 1 ATOM 11750 C CD . GLU D 1 366 ? -37.728 33.675 -61.017 1.00 54.91 ? 433 GLU D CD 1 ATOM 11751 O OE1 . GLU D 1 366 ? -37.733 34.089 -59.845 1.00 44.62 ? 433 GLU D OE1 1 ATOM 11752 O OE2 . GLU D 1 366 ? -36.664 33.264 -61.583 1.00 46.54 ? 433 GLU D OE2 1 ATOM 11753 N N . THR D 1 367 ? -41.805 35.972 -64.962 1.00 51.64 ? 434 THR D N 1 ATOM 11754 C CA . THR D 1 367 ? -42.165 36.788 -66.123 1.00 53.68 ? 434 THR D CA 1 ATOM 11755 C C . THR D 1 367 ? -41.968 38.303 -65.943 1.00 50.24 ? 434 THR D C 1 ATOM 11756 O O . THR D 1 367 ? -42.183 39.063 -66.871 1.00 44.62 ? 434 THR D O 1 ATOM 11757 C CB . THR D 1 367 ? -43.622 36.534 -66.568 1.00 52.56 ? 434 THR D CB 1 ATOM 11758 O OG1 . THR D 1 367 ? -44.488 36.823 -65.476 1.00 51.11 ? 434 THR D OG1 1 ATOM 11759 C CG2 . THR D 1 367 ? -43.813 35.099 -67.012 1.00 52.53 ? 434 THR D CG2 1 ATOM 11760 N N . ARG D 1 368 ? -41.518 38.750 -64.789 1.00 49.29 ? 435 ARG D N 1 ATOM 11761 C CA . ARG D 1 368 ? -41.130 40.155 -64.668 1.00 49.44 ? 435 ARG D CA 1 ATOM 11762 C C . ARG D 1 368 ? -39.967 40.494 -65.622 1.00 49.38 ? 435 ARG D C 1 ATOM 11763 O O . ARG D 1 368 ? -39.846 41.613 -66.091 1.00 49.57 ? 435 ARG D O 1 ATOM 11764 C CB . ARG D 1 368 ? -40.780 40.513 -63.221 1.00 52.52 ? 435 ARG D CB 1 ATOM 11765 C CG . ARG D 1 368 ? -40.057 41.838 -63.134 1.00 55.00 ? 435 ARG D CG 1 ATOM 11766 C CD . ARG D 1 368 ? -39.719 42.309 -61.733 1.00 57.23 ? 435 ARG D CD 1 ATOM 11767 N NE . ARG D 1 368 ? -39.194 43.668 -61.855 1.00 59.91 ? 435 ARG D NE 1 ATOM 11768 C CZ . ARG D 1 368 ? -37.922 44.024 -62.087 1.00 60.28 ? 435 ARG D CZ 1 ATOM 11769 N NH1 . ARG D 1 368 ? -36.900 43.153 -62.135 1.00 59.75 ? 435 ARG D NH1 1 ATOM 11770 N NH2 . ARG D 1 368 ? -37.652 45.309 -62.210 1.00 64.82 ? 435 ARG D NH2 1 ATOM 11771 N N . VAL D 1 369 ? -39.115 39.526 -65.908 1.00 46.06 ? 436 VAL D N 1 ATOM 11772 C CA . VAL D 1 369 ? -38.000 39.738 -66.841 1.00 45.94 ? 436 VAL D CA 1 ATOM 11773 C C . VAL D 1 369 ? -38.249 39.018 -68.160 1.00 42.36 ? 436 VAL D C 1 ATOM 11774 O O . VAL D 1 369 ? -39.099 38.180 -68.236 1.00 47.61 ? 436 VAL D O 1 ATOM 11775 C CB . VAL D 1 369 ? -36.624 39.230 -66.252 1.00 44.47 ? 436 VAL D CB 1 ATOM 11776 C CG1 . VAL D 1 369 ? -36.339 39.931 -64.931 1.00 48.38 ? 436 VAL D CG1 1 ATOM 11777 C CG2 . VAL D 1 369 ? -36.601 37.735 -66.099 1.00 38.92 ? 436 VAL D CG2 1 ATOM 11778 N N . TRP D 1 370 ? -37.456 39.344 -69.169 1.00 41.37 ? 437 TRP D N 1 ATOM 11779 C CA . TRP D 1 370 ? -37.576 38.789 -70.528 1.00 42.85 ? 437 TRP D CA 1 ATOM 11780 C C . TRP D 1 370 ? -36.456 37.786 -70.881 1.00 40.40 ? 437 TRP D C 1 ATOM 11781 O O . TRP D 1 370 ? -36.471 37.236 -71.968 1.00 42.00 ? 437 TRP D O 1 ATOM 11782 C CB . TRP D 1 370 ? -37.582 39.947 -71.569 1.00 49.12 ? 437 TRP D CB 1 ATOM 11783 C CG . TRP D 1 370 ? -38.795 40.764 -71.457 1.00 56.92 ? 437 TRP D CG 1 ATOM 11784 C CD1 . TRP D 1 370 ? -38.982 41.822 -70.629 1.00 63.28 ? 437 TRP D CD1 1 ATOM 11785 C CD2 . TRP D 1 370 ? -40.037 40.552 -72.119 1.00 66.64 ? 437 TRP D CD2 1 ATOM 11786 N NE1 . TRP D 1 370 ? -40.245 42.304 -70.755 1.00 65.98 ? 437 TRP D NE1 1 ATOM 11787 C CE2 . TRP D 1 370 ? -40.925 41.544 -71.659 1.00 69.57 ? 437 TRP D CE2 1 ATOM 11788 C CE3 . TRP D 1 370 ? -40.487 39.624 -73.067 1.00 73.89 ? 437 TRP D CE3 1 ATOM 11789 C CZ2 . TRP D 1 370 ? -42.252 41.638 -72.105 1.00 79.78 ? 437 TRP D CZ2 1 ATOM 11790 C CZ3 . TRP D 1 370 ? -41.804 39.698 -73.502 1.00 82.03 ? 437 TRP D CZ3 1 ATOM 11791 C CH2 . TRP D 1 370 ? -42.676 40.712 -73.024 1.00 84.33 ? 437 TRP D CH2 1 ATOM 11792 N N . TRP D 1 371 ? -35.494 37.573 -69.962 1.00 40.91 ? 438 TRP D N 1 ATOM 11793 C CA . TRP D 1 371 ? -34.317 36.768 -70.207 1.00 39.24 ? 438 TRP D CA 1 ATOM 11794 C C . TRP D 1 371 ? -33.848 35.353 -70.024 1.00 49.53 ? 438 TRP D C 1 ATOM 11795 O O . TRP D 1 371 ? -32.815 35.007 -70.692 1.00 68.54 ? 438 TRP D O 1 ATOM 11796 C CB . TRP D 1 371 ? -33.038 37.478 -69.765 1.00 38.73 ? 438 TRP D CB 1 ATOM 11797 C CG . TRP D 1 371 ? -33.077 38.121 -68.474 1.00 42.50 ? 438 TRP D CG 1 ATOM 11798 C CD1 . TRP D 1 371 ? -33.220 39.438 -68.268 1.00 40.96 ? 438 TRP D CD1 1 ATOM 11799 C CD2 . TRP D 1 371 ? -32.973 37.510 -67.168 1.00 37.32 ? 438 TRP D CD2 1 ATOM 11800 N NE1 . TRP D 1 371 ? -33.197 39.702 -66.921 1.00 43.16 ? 438 TRP D NE1 1 ATOM 11801 C CE2 . TRP D 1 371 ? -33.041 38.530 -66.234 1.00 40.96 ? 438 TRP D CE2 1 ATOM 11802 C CE3 . TRP D 1 371 ? -32.754 36.217 -66.719 1.00 35.97 ? 438 TRP D CE3 1 ATOM 11803 C CZ2 . TRP D 1 371 ? -32.914 38.298 -64.854 1.00 40.32 ? 438 TRP D CZ2 1 ATOM 11804 C CZ3 . TRP D 1 371 ? -32.649 35.987 -65.381 1.00 37.15 ? 438 TRP D CZ3 1 ATOM 11805 C CH2 . TRP D 1 371 ? -32.738 37.022 -64.452 1.00 37.16 ? 438 TRP D CH2 1 ATOM 11806 N N . THR D 1 372 ? -34.338 34.536 -69.199 1.00 40.55 ? 439 THR D N 1 ATOM 11807 C CA . THR D 1 372 ? -33.607 33.182 -69.039 1.00 37.57 ? 439 THR D CA 1 ATOM 11808 C C . THR D 1 372 ? -32.093 32.997 -68.837 1.00 36.36 ? 439 THR D C 1 ATOM 11809 O O . THR D 1 372 ? -31.282 33.133 -69.747 1.00 37.33 ? 439 THR D O 1 ATOM 11810 C CB . THR D 1 372 ? -34.103 32.042 -69.927 1.00 39.08 ? 439 THR D CB 1 ATOM 11811 O OG1 . THR D 1 372 ? -35.499 32.177 -70.111 1.00 35.50 ? 439 THR D OG1 1 ATOM 11812 C CG2 . THR D 1 372 ? -33.884 30.709 -69.192 1.00 39.52 ? 439 THR D CG2 1 ATOM 11813 N N . SER D 1 373 ? -31.698 32.616 -67.627 1.00 36.18 ? 440 SER D N 1 ATOM 11814 C CA . SER D 1 373 ? -30.242 32.363 -67.335 1.00 36.51 ? 440 SER D CA 1 ATOM 11815 C C . SER D 1 373 ? -30.147 31.473 -66.112 1.00 39.91 ? 440 SER D C 1 ATOM 11816 O O . SER D 1 373 ? -31.168 31.000 -65.619 1.00 44.24 ? 440 SER D O 1 ATOM 11817 C CB . SER D 1 373 ? -29.458 33.669 -67.123 1.00 36.08 ? 440 SER D CB 1 ATOM 11818 O OG . SER D 1 373 ? -28.024 33.501 -67.167 1.00 33.33 ? 440 SER D OG 1 ATOM 11819 N N . ASN D 1 374 ? -28.955 31.191 -65.641 1.00 36.66 ? 441 ASN D N 1 ATOM 11820 C CA . ASN D 1 374 ? -28.817 30.275 -64.510 1.00 37.30 ? 441 ASN D CA 1 ATOM 11821 C C . ASN D 1 374 ? -27.565 30.584 -63.687 1.00 36.84 ? 441 ASN D C 1 ATOM 11822 O O . ASN D 1 374 ? -26.661 31.183 -64.192 1.00 35.06 ? 441 ASN D O 1 ATOM 11823 C CB . ASN D 1 374 ? -28.715 28.825 -64.981 1.00 34.38 ? 441 ASN D CB 1 ATOM 11824 C CG . ASN D 1 374 ? -27.358 28.509 -65.626 1.00 39.00 ? 441 ASN D CG 1 ATOM 11825 O OD1 . ASN D 1 374 ? -27.100 28.853 -66.793 1.00 39.13 ? 441 ASN D OD1 1 ATOM 11826 N ND2 . ASN D 1 374 ? -26.421 27.964 -64.805 1.00 38.53 ? 441 ASN D ND2 1 ATOM 11827 N N . SER D 1 375 ? -27.536 30.130 -62.443 1.00 38.07 ? 442 SER D N 1 ATOM 11828 C CA . SER D 1 375 ? -26.264 29.957 -61.699 1.00 37.61 ? 442 SER D CA 1 ATOM 11829 C C . SER D 1 375 ? -26.096 28.483 -61.410 1.00 36.37 ? 442 SER D C 1 ATOM 11830 O O . SER D 1 375 ? -26.882 27.682 -61.877 1.00 39.43 ? 442 SER D O 1 ATOM 11831 C CB . SER D 1 375 ? -26.231 30.808 -60.423 1.00 38.02 ? 442 SER D CB 1 ATOM 11832 O OG . SER D 1 375 ? -27.107 30.329 -59.426 1.00 41.79 ? 442 SER D OG 1 ATOM 11833 N N . ILE D 1 376 ? -25.048 28.121 -60.687 1.00 38.35 ? 443 ILE D N 1 ATOM 11834 C CA . ILE D 1 376 ? -24.857 26.746 -60.251 1.00 40.62 ? 443 ILE D CA 1 ATOM 11835 C C . ILE D 1 376 ? -24.445 26.597 -58.791 1.00 36.18 ? 443 ILE D C 1 ATOM 11836 O O . ILE D 1 376 ? -23.875 27.484 -58.179 1.00 33.39 ? 443 ILE D O 1 ATOM 11837 C CB . ILE D 1 376 ? -23.780 25.989 -61.077 1.00 48.44 ? 443 ILE D CB 1 ATOM 11838 C CG1 . ILE D 1 376 ? -22.446 26.681 -60.977 1.00 55.59 ? 443 ILE D CG1 1 ATOM 11839 C CG2 . ILE D 1 376 ? -24.122 25.950 -62.548 1.00 54.53 ? 443 ILE D CG2 1 ATOM 11840 C CD1 . ILE D 1 376 ? -21.366 25.877 -61.659 1.00 61.79 ? 443 ILE D CD1 1 ATOM 11841 N N . VAL D 1 377 ? -24.670 25.406 -58.294 1.00 33.30 ? 444 VAL D N 1 ATOM 11842 C CA . VAL D 1 377 ? -24.159 24.981 -57.033 1.00 37.59 ? 444 VAL D CA 1 ATOM 11843 C C . VAL D 1 377 ? -23.636 23.568 -57.231 1.00 35.59 ? 444 VAL D C 1 ATOM 11844 O O . VAL D 1 377 ? -24.173 22.813 -58.037 1.00 32.03 ? 444 VAL D O 1 ATOM 11845 C CB . VAL D 1 377 ? -25.260 25.077 -55.932 1.00 39.71 ? 444 VAL D CB 1 ATOM 11846 C CG1 . VAL D 1 377 ? -26.376 24.103 -56.195 1.00 38.52 ? 444 VAL D CG1 1 ATOM 11847 C CG2 . VAL D 1 377 ? -24.669 24.819 -54.552 1.00 39.62 ? 444 VAL D CG2 1 ATOM 11848 N N . VAL D 1 378 ? -22.584 23.221 -56.496 1.00 33.02 ? 445 VAL D N 1 ATOM 11849 C CA . VAL D 1 378 ? -21.842 21.982 -56.703 1.00 32.42 ? 445 VAL D CA 1 ATOM 11850 C C . VAL D 1 378 ? -21.492 21.370 -55.365 1.00 36.65 ? 445 VAL D C 1 ATOM 11851 O O . VAL D 1 378 ? -21.057 22.056 -54.423 1.00 32.57 ? 445 VAL D O 1 ATOM 11852 C CB . VAL D 1 378 ? -20.506 22.292 -57.431 1.00 37.92 ? 445 VAL D CB 1 ATOM 11853 C CG1 . VAL D 1 378 ? -19.830 21.030 -57.864 1.00 41.14 ? 445 VAL D CG1 1 ATOM 11854 C CG2 . VAL D 1 378 ? -20.703 23.160 -58.673 1.00 36.22 ? 445 VAL D CG2 1 ATOM 11855 N N . PHE D 1 379 ? -21.639 20.058 -55.317 1.00 38.21 ? 446 PHE D N 1 ATOM 11856 C CA . PHE D 1 379 ? -21.399 19.262 -54.131 1.00 35.65 ? 446 PHE D CA 1 ATOM 11857 C C . PHE D 1 379 ? -20.543 18.061 -54.550 1.00 38.70 ? 446 PHE D C 1 ATOM 11858 O O . PHE D 1 379 ? -20.627 17.569 -55.662 1.00 34.96 ? 446 PHE D O 1 ATOM 11859 C CB . PHE D 1 379 ? -22.705 18.732 -53.537 1.00 36.58 ? 446 PHE D CB 1 ATOM 11860 C CG . PHE D 1 379 ? -23.348 19.652 -52.571 1.00 36.43 ? 446 PHE D CG 1 ATOM 11861 C CD1 . PHE D 1 379 ? -23.826 20.886 -52.993 1.00 42.56 ? 446 PHE D CD1 1 ATOM 11862 C CD2 . PHE D 1 379 ? -23.489 19.303 -51.231 1.00 42.66 ? 446 PHE D CD2 1 ATOM 11863 C CE1 . PHE D 1 379 ? -24.426 21.772 -52.090 1.00 43.99 ? 446 PHE D CE1 1 ATOM 11864 C CE2 . PHE D 1 379 ? -24.088 20.183 -50.301 1.00 45.13 ? 446 PHE D CE2 1 ATOM 11865 C CZ . PHE D 1 379 ? -24.549 21.423 -50.740 1.00 45.74 ? 446 PHE D CZ 1 ATOM 11866 N N . CYS D 1 380 ? -19.797 17.532 -53.592 1.00 41.84 ? 447 CYS D N 1 ATOM 11867 C CA . CYS D 1 380 ? -18.952 16.367 -53.833 1.00 41.35 ? 447 CYS D CA 1 ATOM 11868 C C . CYS D 1 380 ? -19.160 15.295 -52.746 1.00 40.55 ? 447 CYS D C 1 ATOM 11869 O O . CYS D 1 380 ? -19.469 15.599 -51.593 1.00 39.56 ? 447 CYS D O 1 ATOM 11870 C CB . CYS D 1 380 ? -17.496 16.811 -53.845 1.00 42.32 ? 447 CYS D CB 1 ATOM 11871 S SG . CYS D 1 380 ? -16.929 17.438 -55.423 1.00 45.73 ? 447 CYS D SG 1 ATOM 11872 N N . GLY D 1 381 ? -18.924 14.061 -53.125 1.00 39.14 ? 448 GLY D N 1 ATOM 11873 C CA . GLY D 1 381 ? -19.002 12.971 -52.201 1.00 39.11 ? 448 GLY D CA 1 ATOM 11874 C C . GLY D 1 381 ? -18.043 13.147 -51.043 1.00 35.98 ? 448 GLY D C 1 ATOM 11875 O O . GLY D 1 381 ? -16.919 13.562 -51.239 1.00 37.40 ? 448 GLY D O 1 ATOM 11876 N N . THR D 1 382 ? -18.504 12.806 -49.846 1.00 36.29 ? 449 THR D N 1 ATOM 11877 C CA . THR D 1 382 ? -17.688 12.775 -48.655 1.00 35.87 ? 449 THR D CA 1 ATOM 11878 C C . THR D 1 382 ? -17.866 11.460 -47.931 1.00 35.70 ? 449 THR D C 1 ATOM 11879 O O . THR D 1 382 ? -18.938 10.810 -47.949 1.00 43.66 ? 449 THR D O 1 ATOM 11880 C CB . THR D 1 382 ? -18.037 13.917 -47.715 1.00 40.72 ? 449 THR D CB 1 ATOM 11881 O OG1 . THR D 1 382 ? -17.175 13.909 -46.572 1.00 42.95 ? 449 THR D OG1 1 ATOM 11882 C CG2 . THR D 1 382 ? -19.487 13.836 -47.230 1.00 40.17 ? 449 THR D CG2 1 ATOM 11883 N N . SER D 1 383 ? -16.799 11.010 -47.323 1.00 41.72 ? 450 SER D N 1 ATOM 11884 C CA . SER D 1 383 ? -16.905 9.884 -46.395 1.00 47.46 ? 450 SER D CA 1 ATOM 11885 C C . SER D 1 383 ? -16.809 10.343 -44.932 1.00 42.15 ? 450 SER D C 1 ATOM 11886 O O . SER D 1 383 ? -16.803 9.524 -44.052 1.00 43.08 ? 450 SER D O 1 ATOM 11887 C CB . SER D 1 383 ? -15.851 8.831 -46.684 1.00 48.23 ? 450 SER D CB 1 ATOM 11888 O OG . SER D 1 383 ? -14.624 9.292 -46.295 1.00 47.22 ? 450 SER D OG 1 ATOM 11889 N N . GLY D 1 384 ? -16.866 11.650 -44.699 1.00 41.76 ? 451 GLY D N 1 ATOM 11890 C CA . GLY D 1 384 ? -17.005 12.193 -43.346 1.00 44.45 ? 451 GLY D CA 1 ATOM 11891 C C . GLY D 1 384 ? -18.463 12.428 -42.921 1.00 42.32 ? 451 GLY D C 1 ATOM 11892 O O . GLY D 1 384 ? -19.362 11.732 -43.319 1.00 46.84 ? 451 GLY D O 1 ATOM 11893 N N . THR D 1 385 ? -18.675 13.438 -42.100 1.00 42.83 ? 452 THR D N 1 ATOM 11894 C CA . THR D 1 385 ? -20.009 13.832 -41.657 1.00 41.50 ? 452 THR D CA 1 ATOM 11895 C C . THR D 1 385 ? -20.345 15.247 -42.132 1.00 39.29 ? 452 THR D C 1 ATOM 11896 O O . THR D 1 385 ? -19.491 15.988 -42.648 1.00 37.58 ? 452 THR D O 1 ATOM 11897 C CB . THR D 1 385 ? -20.137 13.776 -40.118 1.00 41.98 ? 452 THR D CB 1 ATOM 11898 O OG1 . THR D 1 385 ? -19.162 14.644 -39.526 1.00 47.07 ? 452 THR D OG1 1 ATOM 11899 C CG2 . THR D 1 385 ? -19.876 12.372 -39.608 1.00 42.11 ? 452 THR D CG2 1 ATOM 11900 N N . TYR D 1 386 ? -21.594 15.606 -41.939 1.00 36.59 ? 453 TYR D N 1 ATOM 11901 C CA . TYR D 1 386 ? -22.117 16.843 -42.440 1.00 37.42 ? 453 TYR D CA 1 ATOM 11902 C C . TYR D 1 386 ? -23.446 17.195 -41.750 1.00 36.33 ? 453 TYR D C 1 ATOM 11903 O O . TYR D 1 386 ? -24.046 16.362 -41.114 1.00 34.15 ? 453 TYR D O 1 ATOM 11904 C CB . TYR D 1 386 ? -22.348 16.700 -43.950 1.00 35.05 ? 453 TYR D CB 1 ATOM 11905 C CG . TYR D 1 386 ? -23.117 15.496 -44.311 1.00 35.87 ? 453 TYR D CG 1 ATOM 11906 C CD1 . TYR D 1 386 ? -24.504 15.517 -44.366 1.00 35.90 ? 453 TYR D CD1 1 ATOM 11907 C CD2 . TYR D 1 386 ? -22.460 14.321 -44.742 1.00 40.65 ? 453 TYR D CD2 1 ATOM 11908 C CE1 . TYR D 1 386 ? -25.221 14.386 -44.787 1.00 37.17 ? 453 TYR D CE1 1 ATOM 11909 C CE2 . TYR D 1 386 ? -23.173 13.211 -45.200 1.00 37.94 ? 453 TYR D CE2 1 ATOM 11910 C CZ . TYR D 1 386 ? -24.549 13.225 -45.169 1.00 38.07 ? 453 TYR D CZ 1 ATOM 11911 O OH . TYR D 1 386 ? -25.257 12.093 -45.554 1.00 38.73 ? 453 TYR D OH 1 ATOM 11912 N N . GLY D 1 387 ? -23.953 18.390 -42.021 1.00 39.58 ? 454 GLY D N 1 ATOM 11913 C CA . GLY D 1 387 ? -25.224 18.905 -41.471 1.00 36.38 ? 454 GLY D CA 1 ATOM 11914 C C . GLY D 1 387 ? -26.303 19.086 -42.546 1.00 36.17 ? 454 GLY D C 1 ATOM 11915 O O . GLY D 1 387 ? -26.518 18.206 -43.342 1.00 36.29 ? 454 GLY D O 1 ATOM 11916 N N . THR D 1 388 ? -27.039 20.193 -42.448 1.00 35.92 ? 455 THR D N 1 ATOM 11917 C CA . THR D 1 388 ? -28.140 20.535 -43.328 1.00 36.69 ? 455 THR D CA 1 ATOM 11918 C C . THR D 1 388 ? -28.050 21.974 -43.775 1.00 34.43 ? 455 THR D C 1 ATOM 11919 O O . THR D 1 388 ? -27.445 22.831 -43.129 1.00 37.68 ? 455 THR D O 1 ATOM 11920 C CB . THR D 1 388 ? -29.544 20.398 -42.639 1.00 39.49 ? 455 THR D CB 1 ATOM 11921 O OG1 . THR D 1 388 ? -29.559 21.057 -41.355 1.00 39.56 ? 455 THR D OG1 1 ATOM 11922 C CG2 . THR D 1 388 ? -29.895 18.956 -42.440 1.00 39.06 ? 455 THR D CG2 1 ATOM 11923 N N . GLY D 1 389 ? -28.705 22.240 -44.879 1.00 35.68 ? 456 GLY D N 1 ATOM 11924 C CA . GLY D 1 389 ? -28.873 23.604 -45.350 1.00 36.59 ? 456 GLY D CA 1 ATOM 11925 C C . GLY D 1 389 ? -29.699 23.700 -46.616 1.00 36.57 ? 456 GLY D C 1 ATOM 11926 O O . GLY D 1 389 ? -30.325 22.725 -47.039 1.00 39.48 ? 456 GLY D O 1 ATOM 11927 N N . SER D 1 390 ? -29.646 24.870 -47.246 1.00 36.95 ? 457 SER D N 1 ATOM 11928 C CA . SER D 1 390 ? -30.223 25.059 -48.539 1.00 40.02 ? 457 SER D CA 1 ATOM 11929 C C . SER D 1 390 ? -29.416 26.119 -49.257 1.00 39.88 ? 457 SER D C 1 ATOM 11930 O O . SER D 1 390 ? -29.126 27.145 -48.691 1.00 39.36 ? 457 SER D O 1 ATOM 11931 C CB . SER D 1 390 ? -31.705 25.454 -48.424 1.00 37.92 ? 457 SER D CB 1 ATOM 11932 O OG . SER D 1 390 ? -32.205 25.781 -49.705 1.00 43.51 ? 457 SER D OG 1 ATOM 11933 N N . TRP D 1 391 ? -29.064 25.866 -50.516 1.00 38.35 ? 458 TRP D N 1 ATOM 11934 C CA . TRP D 1 391 ? -28.166 26.750 -51.234 1.00 37.85 ? 458 TRP D CA 1 ATOM 11935 C C . TRP D 1 391 ? -28.747 27.114 -52.615 1.00 42.14 ? 458 TRP D C 1 ATOM 11936 O O . TRP D 1 391 ? -28.246 26.655 -53.660 1.00 40.94 ? 458 TRP D O 1 ATOM 11937 C CB . TRP D 1 391 ? -26.798 26.094 -51.406 1.00 41.65 ? 458 TRP D CB 1 ATOM 11938 C CG . TRP D 1 391 ? -26.093 25.841 -50.130 1.00 38.86 ? 458 TRP D CG 1 ATOM 11939 C CD1 . TRP D 1 391 ? -25.214 26.659 -49.524 1.00 42.93 ? 458 TRP D CD1 1 ATOM 11940 C CD2 . TRP D 1 391 ? -26.247 24.703 -49.275 1.00 36.56 ? 458 TRP D CD2 1 ATOM 11941 N NE1 . TRP D 1 391 ? -24.773 26.091 -48.340 1.00 43.93 ? 458 TRP D NE1 1 ATOM 11942 C CE2 . TRP D 1 391 ? -25.396 24.889 -48.169 1.00 36.89 ? 458 TRP D CE2 1 ATOM 11943 C CE3 . TRP D 1 391 ? -27.020 23.543 -49.341 1.00 37.09 ? 458 TRP D CE3 1 ATOM 11944 C CZ2 . TRP D 1 391 ? -25.254 23.937 -47.148 1.00 39.37 ? 458 TRP D CZ2 1 ATOM 11945 C CZ3 . TRP D 1 391 ? -26.903 22.596 -48.322 1.00 41.24 ? 458 TRP D CZ3 1 ATOM 11946 C CH2 . TRP D 1 391 ? -26.000 22.787 -47.237 1.00 39.46 ? 458 TRP D CH2 1 ATOM 11947 N N . PRO D 1 392 ? -29.819 27.921 -52.625 1.00 39.26 ? 459 PRO D N 1 ATOM 11948 C CA . PRO D 1 392 ? -30.417 28.289 -53.892 1.00 39.04 ? 459 PRO D CA 1 ATOM 11949 C C . PRO D 1 392 ? -29.641 29.411 -54.575 1.00 39.53 ? 459 PRO D C 1 ATOM 11950 O O . PRO D 1 392 ? -28.643 29.904 -54.059 1.00 38.13 ? 459 PRO D O 1 ATOM 11951 C CB . PRO D 1 392 ? -31.790 28.765 -53.453 1.00 38.58 ? 459 PRO D CB 1 ATOM 11952 C CG . PRO D 1 392 ? -31.534 29.426 -52.106 1.00 37.78 ? 459 PRO D CG 1 ATOM 11953 C CD . PRO D 1 392 ? -30.448 28.614 -51.479 1.00 37.77 ? 459 PRO D CD 1 ATOM 11954 N N . ASP D 1 393 ? -30.164 29.874 -55.687 1.00 40.24 ? 460 ASP D N 1 ATOM 11955 C CA . ASP D 1 393 ? -29.549 30.933 -56.488 1.00 39.56 ? 460 ASP D CA 1 ATOM 11956 C C . ASP D 1 393 ? -29.350 32.248 -55.729 1.00 37.17 ? 460 ASP D C 1 ATOM 11957 O O . ASP D 1 393 ? -28.274 32.855 -55.755 1.00 40.09 ? 460 ASP D O 1 ATOM 11958 C CB . ASP D 1 393 ? -30.417 31.184 -57.739 1.00 39.51 ? 460 ASP D CB 1 ATOM 11959 C CG . ASP D 1 393 ? -29.977 32.415 -58.487 1.00 44.34 ? 460 ASP D CG 1 ATOM 11960 O OD1 . ASP D 1 393 ? -28.930 32.360 -59.194 1.00 46.28 ? 460 ASP D OD1 1 ATOM 11961 O OD2 . ASP D 1 393 ? -30.646 33.453 -58.343 1.00 46.34 ? 460 ASP D OD2 1 ATOM 11962 N N . GLY D 1 394 ? -30.402 32.674 -55.043 1.00 37.89 ? 461 GLY D N 1 ATOM 11963 C CA . GLY D 1 394 ? -30.347 33.789 -54.118 1.00 34.58 ? 461 GLY D CA 1 ATOM 11964 C C . GLY D 1 394 ? -30.627 35.154 -54.695 1.00 41.48 ? 461 GLY D C 1 ATOM 11965 O O . GLY D 1 394 ? -30.559 36.137 -53.988 1.00 37.45 ? 461 GLY D O 1 ATOM 11966 N N . ALA D 1 395 ? -30.895 35.256 -55.991 1.00 47.98 ? 462 ALA D N 1 ATOM 11967 C CA . ALA D 1 395 ? -31.220 36.555 -56.566 1.00 42.29 ? 462 ALA D CA 1 ATOM 11968 C C . ALA D 1 395 ? -32.676 36.911 -56.279 1.00 41.79 ? 462 ALA D C 1 ATOM 11969 O O . ALA D 1 395 ? -33.522 36.059 -56.206 1.00 44.48 ? 462 ALA D O 1 ATOM 11970 C CB . ALA D 1 395 ? -30.956 36.592 -58.043 1.00 43.42 ? 462 ALA D CB 1 ATOM 11971 N N . ASN D 1 396 ? -32.916 38.192 -56.026 1.00 44.71 ? 463 ASN D N 1 ATOM 11972 C CA . ASN D 1 396 ? -34.221 38.762 -55.921 1.00 42.09 ? 463 ASN D CA 1 ATOM 11973 C C . ASN D 1 396 ? -34.619 39.295 -57.315 1.00 39.58 ? 463 ASN D C 1 ATOM 11974 O O . ASN D 1 396 ? -34.014 40.222 -57.850 1.00 38.30 ? 463 ASN D O 1 ATOM 11975 C CB . ASN D 1 396 ? -34.207 39.873 -54.916 1.00 44.10 ? 463 ASN D CB 1 ATOM 11976 C CG . ASN D 1 396 ? -35.589 40.490 -54.715 1.00 47.03 ? 463 ASN D CG 1 ATOM 11977 O OD1 . ASN D 1 396 ? -36.442 40.531 -55.596 1.00 50.05 ? 463 ASN D OD1 1 ATOM 11978 N ND2 . ASN D 1 396 ? -35.768 41.033 -53.589 1.00 49.97 ? 463 ASN D ND2 1 ATOM 11979 N N . ILE D 1 397 ? -35.646 38.683 -57.873 1.00 40.27 ? 464 ILE D N 1 ATOM 11980 C CA . ILE D 1 397 ? -36.050 38.951 -59.237 1.00 44.74 ? 464 ILE D CA 1 ATOM 11981 C C . ILE D 1 397 ? -36.413 40.414 -59.415 1.00 43.10 ? 464 ILE D C 1 ATOM 11982 O O . ILE D 1 397 ? -36.192 40.961 -60.495 1.00 43.17 ? 464 ILE D O 1 ATOM 11983 C CB . ILE D 1 397 ? -37.202 38.020 -59.703 1.00 46.60 ? 464 ILE D CB 1 ATOM 11984 C CG1 . ILE D 1 397 ? -37.316 38.029 -61.223 1.00 51.81 ? 464 ILE D CG1 1 ATOM 11985 C CG2 . ILE D 1 397 ? -38.533 38.391 -59.031 1.00 48.43 ? 464 ILE D CG2 1 ATOM 11986 C CD1 . ILE D 1 397 ? -36.140 37.362 -61.947 1.00 52.67 ? 464 ILE D CD1 1 ATOM 11987 N N . ASN D 1 398 ? -36.881 41.066 -58.351 1.00 40.63 ? 465 ASN D N 1 ATOM 11988 C CA . ASN D 1 398 ? -37.205 42.526 -58.404 1.00 45.30 ? 465 ASN D CA 1 ATOM 11989 C C . ASN D 1 398 ? -36.021 43.485 -58.480 1.00 46.52 ? 465 ASN D C 1 ATOM 11990 O O . ASN D 1 398 ? -36.219 44.632 -58.778 1.00 46.75 ? 465 ASN D O 1 ATOM 11991 C CB . ASN D 1 398 ? -38.086 42.962 -57.223 1.00 46.01 ? 465 ASN D CB 1 ATOM 11992 C CG . ASN D 1 398 ? -39.404 42.170 -57.150 1.00 51.74 ? 465 ASN D CG 1 ATOM 11993 O OD1 . ASN D 1 398 ? -39.734 41.625 -56.135 1.00 52.37 ? 465 ASN D OD1 1 ATOM 11994 N ND2 . ASN D 1 398 ? -40.115 42.072 -58.252 1.00 51.93 ? 465 ASN D ND2 1 ATOM 11995 N N . PHE D 1 399 ? -34.817 43.012 -58.213 1.00 44.53 ? 466 PHE D N 1 ATOM 11996 C CA . PHE D 1 399 ? -33.623 43.824 -58.266 1.00 44.80 ? 466 PHE D CA 1 ATOM 11997 C C . PHE D 1 399 ? -32.908 43.709 -59.633 1.00 45.19 ? 466 PHE D C 1 ATOM 11998 O O . PHE D 1 399 ? -31.879 44.326 -59.840 1.00 49.52 ? 466 PHE D O 1 ATOM 11999 C CB . PHE D 1 399 ? -32.610 43.336 -57.204 1.00 45.62 ? 466 PHE D CB 1 ATOM 12000 C CG . PHE D 1 399 ? -33.008 43.626 -55.768 1.00 44.30 ? 466 PHE D CG 1 ATOM 12001 C CD1 . PHE D 1 399 ? -34.074 44.463 -55.430 1.00 45.04 ? 466 PHE D CD1 1 ATOM 12002 C CD2 . PHE D 1 399 ? -32.254 43.069 -54.726 1.00 48.79 ? 466 PHE D CD2 1 ATOM 12003 C CE1 . PHE D 1 399 ? -34.413 44.695 -54.087 1.00 42.59 ? 466 PHE D CE1 1 ATOM 12004 C CE2 . PHE D 1 399 ? -32.585 43.297 -53.394 1.00 48.61 ? 466 PHE D CE2 1 ATOM 12005 C CZ . PHE D 1 399 ? -33.687 44.108 -53.076 1.00 45.85 ? 466 PHE D CZ 1 ATOM 12006 N N . MET D 1 400 ? -33.429 42.906 -60.556 1.00 43.97 ? 467 MET D N 1 ATOM 12007 C CA . MET D 1 400 ? -32.728 42.622 -61.808 1.00 41.58 ? 467 MET D CA 1 ATOM 12008 C C . MET D 1 400 ? -33.086 43.566 -62.929 1.00 46.79 ? 467 MET D C 1 ATOM 12009 O O . MET D 1 400 ? -34.216 44.005 -63.031 1.00 46.53 ? 467 MET D O 1 ATOM 12010 C CB . MET D 1 400 ? -33.086 41.235 -62.264 1.00 42.15 ? 467 MET D CB 1 ATOM 12011 C CG . MET D 1 400 ? -32.822 40.107 -61.236 1.00 47.76 ? 467 MET D CG 1 ATOM 12012 S SD . MET D 1 400 ? -31.111 39.905 -60.675 1.00 45.52 ? 467 MET D SD 1 ATOM 12013 C CE . MET D 1 400 ? -30.257 39.691 -62.253 1.00 48.38 ? 467 MET D CE 1 ATOM 12014 N N . PRO D 1 401 ? -32.140 43.826 -63.849 1.00 55.38 ? 468 PRO D N 1 ATOM 12015 C CA . PRO D 1 401 ? -32.455 44.383 -65.219 1.00 52.16 ? 468 PRO D CA 1 ATOM 12016 C C . PRO D 1 401 ? -33.485 43.501 -65.904 1.00 49.83 ? 468 PRO D C 1 ATOM 12017 O O . PRO D 1 401 ? -33.477 42.306 -65.666 1.00 53.94 ? 468 PRO D O 1 ATOM 12018 C CB . PRO D 1 401 ? -31.139 44.219 -65.972 1.00 55.61 ? 468 PRO D CB 1 ATOM 12019 C CG . PRO D 1 401 ? -30.084 44.162 -64.912 1.00 59.03 ? 468 PRO D CG 1 ATOM 12020 C CD . PRO D 1 401 ? -30.706 43.548 -63.686 1.00 52.99 ? 468 PRO D CD 1 ATOM 12021 N N . ILE D 1 402 ? -34.316 44.045 -66.772 1.00 51.22 ? 469 ILE D N 1 ATOM 12022 C CA . ILE D 1 402 ? -35.625 43.464 -67.007 1.00 60.85 ? 469 ILE D CA 1 ATOM 12023 C C . ILE D 1 402 ? -35.856 42.422 -68.180 1.00 67.91 ? 469 ILE D C 1 ATOM 12024 O O . ILE D 1 402 ? -35.103 42.220 -69.136 1.00 52.23 ? 469 ILE D O 1 ATOM 12025 C CB . ILE D 1 402 ? -36.679 44.603 -67.017 1.00 68.33 ? 469 ILE D CB 1 ATOM 12026 C CG1 . ILE D 1 402 ? -38.015 44.107 -66.487 1.00 83.30 ? 469 ILE D CG1 1 ATOM 12027 C CG2 . ILE D 1 402 ? -36.799 45.252 -68.393 1.00 68.47 ? 469 ILE D CG2 1 ATOM 12028 C CD1 . ILE D 1 402 ? -39.056 45.206 -66.331 1.00 99.08 ? 469 ILE D CD1 1 HETATM 12029 CA CA . CA E 2 . ? -13.397 40.141 -24.789 1.00 82.14 ? 501 CA A CA 1 HETATM 12030 C C1 . NAG F 3 . ? -32.871 48.254 -48.166 1.00 83.71 ? 502 NAG A C1 1 HETATM 12031 C C2 . NAG F 3 . ? -33.550 49.462 -48.820 1.00 91.19 ? 502 NAG A C2 1 HETATM 12032 C C3 . NAG F 3 . ? -34.520 50.088 -47.824 1.00 94.53 ? 502 NAG A C3 1 HETATM 12033 C C4 . NAG F 3 . ? -35.506 49.095 -47.180 1.00 102.50 ? 502 NAG A C4 1 HETATM 12034 C C5 . NAG F 3 . ? -34.684 47.921 -46.614 1.00 97.44 ? 502 NAG A C5 1 HETATM 12035 C C6 . NAG F 3 . ? -35.494 46.824 -45.902 1.00 88.21 ? 502 NAG A C6 1 HETATM 12036 C C7 . NAG F 3 . ? -32.287 50.778 -50.500 1.00 81.34 ? 502 NAG A C7 1 HETATM 12037 C C8 . NAG F 3 . ? -31.271 51.836 -50.799 1.00 83.64 ? 502 NAG A C8 1 HETATM 12038 N N2 . NAG F 3 . ? -32.578 50.487 -49.226 1.00 89.55 ? 502 NAG A N2 1 HETATM 12039 O O3 . NAG F 3 . ? -35.148 51.167 -48.473 1.00 90.40 ? 502 NAG A O3 1 HETATM 12040 O O4 . NAG F 3 . ? -36.242 49.779 -46.166 1.00 115.49 ? 502 NAG A O4 1 HETATM 12041 O O5 . NAG F 3 . ? -33.887 47.382 -47.669 1.00 93.45 ? 502 NAG A O5 1 HETATM 12042 O O6 . NAG F 3 . ? -35.270 45.518 -46.413 1.00 82.34 ? 502 NAG A O6 1 HETATM 12043 O O7 . NAG F 3 . ? -32.799 50.210 -51.447 1.00 70.95 ? 502 NAG A O7 1 HETATM 12044 C C1 . NAG G 3 . ? -37.674 49.529 -46.149 1.00 120.65 ? 503 NAG A C1 1 HETATM 12045 C C2 . NAG G 3 . ? -38.210 49.993 -44.781 1.00 122.40 ? 503 NAG A C2 1 HETATM 12046 C C3 . NAG G 3 . ? -39.750 50.074 -44.698 1.00 126.00 ? 503 NAG A C3 1 HETATM 12047 C C4 . NAG G 3 . ? -40.410 50.550 -46.012 1.00 123.62 ? 503 NAG A C4 1 HETATM 12048 C C5 . NAG G 3 . ? -39.775 49.751 -47.157 1.00 127.83 ? 503 NAG A C5 1 HETATM 12049 C C6 . NAG G 3 . ? -40.453 49.907 -48.518 1.00 123.99 ? 503 NAG A C6 1 HETATM 12050 C C7 . NAG G 3 . ? -36.706 49.519 -42.901 1.00 107.42 ? 503 NAG A C7 1 HETATM 12051 C C8 . NAG G 3 . ? -36.165 48.518 -41.914 1.00 105.60 ? 503 NAG A C8 1 HETATM 12052 N N2 . NAG G 3 . ? -37.636 49.111 -43.764 1.00 112.80 ? 503 NAG A N2 1 HETATM 12053 O O3 . NAG G 3 . ? -40.106 50.906 -43.612 1.00 125.28 ? 503 NAG A O3 1 HETATM 12054 O O4 . NAG G 3 . ? -41.822 50.391 -46.003 1.00 108.37 ? 503 NAG A O4 1 HETATM 12055 O O5 . NAG G 3 . ? -38.406 50.129 -47.214 1.00 119.82 ? 503 NAG A O5 1 HETATM 12056 O O6 . NAG G 3 . ? -40.380 51.254 -48.901 1.00 117.79 ? 503 NAG A O6 1 HETATM 12057 O O7 . NAG G 3 . ? -36.293 50.676 -42.893 1.00 106.86 ? 503 NAG A O7 1 HETATM 12058 C C1 . NAG H 3 . ? 8.477 14.658 -41.931 1.00 71.05 ? 504 NAG A C1 1 HETATM 12059 C C2 . NAG H 3 . ? 9.528 14.190 -40.924 1.00 79.13 ? 504 NAG A C2 1 HETATM 12060 C C3 . NAG H 3 . ? 10.219 12.926 -41.395 1.00 77.27 ? 504 NAG A C3 1 HETATM 12061 C C4 . NAG H 3 . ? 9.189 11.851 -41.787 1.00 84.97 ? 504 NAG A C4 1 HETATM 12062 C C5 . NAG H 3 . ? 8.235 12.389 -42.890 1.00 79.65 ? 504 NAG A C5 1 HETATM 12063 C C6 . NAG H 3 . ? 7.067 11.448 -43.247 1.00 81.31 ? 504 NAG A C6 1 HETATM 12064 C C7 . NAG H 3 . ? 10.386 16.075 -39.541 1.00 91.79 ? 504 NAG A C7 1 HETATM 12065 C C8 . NAG H 3 . ? 11.443 17.136 -39.369 1.00 86.43 ? 504 NAG A C8 1 HETATM 12066 N N2 . NAG H 3 . ? 10.485 15.269 -40.619 1.00 85.33 ? 504 NAG A N2 1 HETATM 12067 O O3 . NAG H 3 . ? 10.999 12.576 -40.296 1.00 69.35 ? 504 NAG A O3 1 HETATM 12068 O O4 . NAG H 3 . ? 9.784 10.643 -42.267 1.00 101.79 ? 504 NAG A O4 1 HETATM 12069 O O5 . NAG H 3 . ? 7.675 13.643 -42.518 1.00 72.32 ? 504 NAG A O5 1 HETATM 12070 O O6 . NAG H 3 . ? 6.296 11.167 -42.077 1.00 95.24 ? 504 NAG A O6 1 HETATM 12071 O O7 . NAG H 3 . ? 9.479 15.980 -38.698 1.00 94.16 ? 504 NAG A O7 1 HETATM 12072 C C1 . NAG I 3 . ? 10.613 9.804 -41.408 1.00 95.63 ? 505 NAG A C1 1 HETATM 12073 C C2 . NAG I 3 . ? 10.539 8.340 -41.938 1.00 92.42 ? 505 NAG A C2 1 HETATM 12074 C C3 . NAG I 3 . ? 10.092 7.245 -40.939 1.00 95.35 ? 505 NAG A C3 1 HETATM 12075 C C4 . NAG I 3 . ? 10.499 7.664 -39.515 1.00 93.78 ? 505 NAG A C4 1 HETATM 12076 C C5 . NAG I 3 . ? 9.702 8.963 -39.306 1.00 99.03 ? 505 NAG A C5 1 HETATM 12077 C C6 . NAG I 3 . ? 9.407 9.392 -37.861 1.00 96.35 ? 505 NAG A C6 1 HETATM 12078 C C7 . NAG I 3 . ? 10.350 8.818 -44.315 1.00 99.83 ? 505 NAG A C7 1 HETATM 12079 C C8 . NAG I 3 . ? 9.542 8.811 -45.603 1.00 90.26 ? 505 NAG A C8 1 HETATM 12080 N N2 . NAG I 3 . ? 9.785 8.321 -43.193 1.00 96.42 ? 505 NAG A N2 1 HETATM 12081 O O3 . NAG I 3 . ? 10.597 5.955 -41.268 1.00 87.34 ? 505 NAG A O3 1 HETATM 12082 O O4 . NAG I 3 . ? 10.255 6.661 -38.539 1.00 85.91 ? 505 NAG A O4 1 HETATM 12083 O O5 . NAG I 3 . ? 10.371 9.994 -40.016 1.00 95.95 ? 505 NAG A O5 1 HETATM 12084 O O6 . NAG I 3 . ? 10.576 9.895 -37.256 1.00 93.66 ? 505 NAG A O6 1 HETATM 12085 O O7 . NAG I 3 . ? 11.508 9.288 -44.284 1.00 86.54 ? 505 NAG A O7 1 HETATM 12086 C C1 . NAG J 3 . ? -28.266 17.418 -39.150 1.00 46.93 ? 506 NAG A C1 1 HETATM 12087 C C2 . NAG J 3 . ? -29.704 16.981 -38.893 1.00 48.43 ? 506 NAG A C2 1 HETATM 12088 C C3 . NAG J 3 . ? -29.969 15.505 -39.139 1.00 51.50 ? 506 NAG A C3 1 HETATM 12089 C C4 . NAG J 3 . ? -29.392 15.112 -40.506 1.00 46.14 ? 506 NAG A C4 1 HETATM 12090 C C5 . NAG J 3 . ? -27.930 15.574 -40.566 1.00 46.69 ? 506 NAG A C5 1 HETATM 12091 C C6 . NAG J 3 . ? -27.186 15.310 -41.889 1.00 44.95 ? 506 NAG A C6 1 HETATM 12092 C C7 . NAG J 3 . ? -30.891 18.385 -37.397 1.00 63.03 ? 506 NAG A C7 1 HETATM 12093 C C8 . NAG J 3 . ? -31.333 18.660 -35.993 1.00 58.89 ? 506 NAG A C8 1 HETATM 12094 N N2 . NAG J 3 . ? -30.141 17.313 -37.591 1.00 56.09 ? 506 NAG A N2 1 HETATM 12095 O O3 . NAG J 3 . ? -31.369 15.233 -39.075 1.00 47.24 ? 506 NAG A O3 1 HETATM 12096 O O4 . NAG J 3 . ? -29.462 13.731 -40.508 1.00 44.68 ? 506 NAG A O4 1 HETATM 12097 O O5 . NAG J 3 . ? -27.981 16.982 -40.439 1.00 47.83 ? 506 NAG A O5 1 HETATM 12098 O O6 . NAG J 3 . ? -27.928 15.958 -42.957 1.00 40.77 ? 506 NAG A O6 1 HETATM 12099 O O7 . NAG J 3 . ? -31.214 19.127 -38.319 1.00 59.43 ? 506 NAG A O7 1 HETATM 12100 C C1 . NAG K 3 . ? -30.048 13.081 -41.629 1.00 43.31 ? 507 NAG A C1 1 HETATM 12101 C C2 . NAG K 3 . ? -29.639 11.614 -41.736 1.00 39.08 ? 507 NAG A C2 1 HETATM 12102 C C3 . NAG K 3 . ? -30.378 10.956 -42.873 1.00 37.80 ? 507 NAG A C3 1 HETATM 12103 C C4 . NAG K 3 . ? -31.848 11.194 -42.764 1.00 41.54 ? 507 NAG A C4 1 HETATM 12104 C C5 . NAG K 3 . ? -32.101 12.688 -42.613 1.00 43.80 ? 507 NAG A C5 1 HETATM 12105 C C6 . NAG K 3 . ? -33.590 12.979 -42.425 1.00 42.15 ? 507 NAG A C6 1 HETATM 12106 C C7 . NAG K 3 . ? -27.313 10.976 -41.359 1.00 50.12 ? 507 NAG A C7 1 HETATM 12107 C C8 . NAG K 3 . ? -25.910 10.841 -41.892 1.00 44.68 ? 507 NAG A C8 1 HETATM 12108 N N2 . NAG K 3 . ? -28.269 11.480 -42.151 1.00 44.56 ? 507 NAG A N2 1 HETATM 12109 O O3 . NAG K 3 . ? -30.044 9.580 -43.118 1.00 41.43 ? 507 NAG A O3 1 HETATM 12110 O O4 . NAG K 3 . ? -32.360 10.690 -43.991 1.00 43.83 ? 507 NAG A O4 1 HETATM 12111 O O5 . NAG K 3 . ? -31.405 13.117 -41.467 1.00 45.21 ? 507 NAG A O5 1 HETATM 12112 O O6 . NAG K 3 . ? -33.967 12.384 -41.216 1.00 47.83 ? 507 NAG A O6 1 HETATM 12113 O O7 . NAG K 3 . ? -27.556 10.616 -40.227 1.00 54.54 ? 507 NAG A O7 1 HETATM 12114 C C1 . BMA L 4 . ? -33.593 9.960 -43.840 1.00 48.25 ? 508 BMA A C1 1 HETATM 12115 C C2 . BMA L 4 . ? -34.543 10.079 -45.049 1.00 47.74 ? 508 BMA A C2 1 HETATM 12116 C C3 . BMA L 4 . ? -35.842 9.375 -44.638 1.00 48.66 ? 508 BMA A C3 1 HETATM 12117 C C4 . BMA L 4 . ? -35.547 7.899 -44.299 1.00 52.90 ? 508 BMA A C4 1 HETATM 12118 C C5 . BMA L 4 . ? -34.448 7.824 -43.231 1.00 48.93 ? 508 BMA A C5 1 HETATM 12119 C C6 . BMA L 4 . ? -33.881 6.437 -42.988 1.00 52.26 ? 508 BMA A C6 1 HETATM 12120 O O2 . BMA L 4 . ? -34.017 9.411 -46.195 1.00 41.57 ? 508 BMA A O2 1 HETATM 12121 O O3 . BMA L 4 . ? -36.733 9.416 -45.710 1.00 48.84 ? 508 BMA A O3 1 HETATM 12122 O O4 . BMA L 4 . ? -36.729 7.208 -43.880 1.00 50.92 ? 508 BMA A O4 1 HETATM 12123 O O5 . BMA L 4 . ? -33.300 8.586 -43.599 1.00 48.79 ? 508 BMA A O5 1 HETATM 12124 O O6 . BMA L 4 . ? -33.579 6.526 -41.561 1.00 59.66 ? 508 BMA A O6 1 HETATM 12125 C C1 . MAN M 5 . ? -38.080 9.724 -45.314 1.00 50.92 ? 509 MAN A C1 1 HETATM 12126 C C2 . MAN M 5 . ? -39.014 9.624 -46.538 1.00 53.88 ? 509 MAN A C2 1 HETATM 12127 C C3 . MAN M 5 . ? -38.729 10.728 -47.559 1.00 49.16 ? 509 MAN A C3 1 HETATM 12128 C C4 . MAN M 5 . ? -38.795 12.073 -46.895 1.00 49.23 ? 509 MAN A C4 1 HETATM 12129 C C5 . MAN M 5 . ? -37.877 12.072 -45.646 1.00 52.80 ? 509 MAN A C5 1 HETATM 12130 C C6 . MAN M 5 . ? -38.015 13.353 -44.828 1.00 48.07 ? 509 MAN A C6 1 HETATM 12131 O O2 . MAN M 5 . ? -40.356 9.692 -46.088 1.00 59.11 ? 509 MAN A O2 1 HETATM 12132 O O3 . MAN M 5 . ? -39.719 10.711 -48.550 1.00 48.97 ? 509 MAN A O3 1 HETATM 12133 O O4 . MAN M 5 . ? -38.523 13.157 -47.784 1.00 47.55 ? 509 MAN A O4 1 HETATM 12134 O O5 . MAN M 5 . ? -38.160 11.005 -44.771 1.00 48.48 ? 509 MAN A O5 1 HETATM 12135 O O6 . MAN M 5 . ? -36.863 13.573 -44.058 1.00 58.18 ? 509 MAN A O6 1 HETATM 12136 C C1 . MAN N 5 . ? -41.145 8.666 -46.699 1.00 65.53 ? 510 MAN A C1 1 HETATM 12137 C C2 . MAN N 5 . ? -42.634 8.978 -46.445 1.00 72.22 ? 510 MAN A C2 1 HETATM 12138 C C3 . MAN N 5 . ? -42.849 8.901 -44.949 1.00 69.70 ? 510 MAN A C3 1 HETATM 12139 C C4 . MAN N 5 . ? -42.576 7.496 -44.463 1.00 74.54 ? 510 MAN A C4 1 HETATM 12140 C C5 . MAN N 5 . ? -41.159 7.120 -44.855 1.00 79.98 ? 510 MAN A C5 1 HETATM 12141 C C6 . MAN N 5 . ? -40.975 5.637 -44.580 1.00 80.60 ? 510 MAN A C6 1 HETATM 12142 O O2 . MAN N 5 . ? -43.527 8.158 -47.215 1.00 74.56 ? 510 MAN A O2 1 HETATM 12143 O O3 . MAN N 5 . ? -44.140 9.277 -44.700 1.00 67.09 ? 510 MAN A O3 1 HETATM 12144 O O4 . MAN N 5 . ? -42.572 7.403 -43.058 1.00 69.45 ? 510 MAN A O4 1 HETATM 12145 O O5 . MAN N 5 . ? -40.803 7.392 -46.210 1.00 68.68 ? 510 MAN A O5 1 HETATM 12146 O O6 . MAN N 5 . ? -39.611 5.483 -44.318 1.00 82.88 ? 510 MAN A O6 1 HETATM 12147 C C1 . MAN O 5 . ? -33.209 5.262 -41.076 1.00 61.07 ? 511 MAN A C1 1 HETATM 12148 C C2 . MAN O 5 . ? -32.561 5.322 -39.699 1.00 64.53 ? 511 MAN A C2 1 HETATM 12149 C C3 . MAN O 5 . ? -31.458 4.328 -40.051 1.00 70.57 ? 511 MAN A C3 1 HETATM 12150 C C4 . MAN O 5 . ? -32.077 2.982 -40.623 1.00 72.26 ? 511 MAN A C4 1 HETATM 12151 C C5 . MAN O 5 . ? -33.252 3.052 -41.646 1.00 64.31 ? 511 MAN A C5 1 HETATM 12152 C C6 . MAN O 5 . ? -34.005 1.771 -42.094 1.00 66.67 ? 511 MAN A C6 1 HETATM 12153 O O2 . MAN O 5 . ? -33.356 4.842 -38.625 1.00 58.73 ? 511 MAN A O2 1 HETATM 12154 O O3 . MAN O 5 . ? -30.363 4.202 -39.135 1.00 79.87 ? 511 MAN A O3 1 HETATM 12155 O O4 . MAN O 5 . ? -31.107 2.369 -41.403 1.00 79.34 ? 511 MAN A O4 1 HETATM 12156 O O5 . MAN O 5 . ? -34.104 4.148 -41.221 1.00 62.59 ? 511 MAN A O5 1 HETATM 12157 O O6 . MAN O 5 . ? -33.902 0.496 -41.434 1.00 73.59 ? 511 MAN A O6 1 HETATM 12158 C C1 . MAN P 5 . ? -30.242 4.588 -37.728 1.00 98.63 ? 512 MAN A C1 1 HETATM 12159 C C2 . MAN P 5 . ? -30.286 6.078 -37.385 1.00 102.08 ? 512 MAN A C2 1 HETATM 12160 C C3 . MAN P 5 . ? -29.529 6.822 -38.490 1.00 104.83 ? 512 MAN A C3 1 HETATM 12161 C C4 . MAN P 5 . ? -28.265 6.056 -38.987 1.00 110.00 ? 512 MAN A C4 1 HETATM 12162 C C5 . MAN P 5 . ? -28.092 4.564 -38.520 1.00 109.95 ? 512 MAN A C5 1 HETATM 12163 C C6 . MAN P 5 . ? -26.654 4.032 -38.313 1.00 105.91 ? 512 MAN A C6 1 HETATM 12164 O O2 . MAN P 5 . ? -29.656 6.276 -36.121 1.00 86.35 ? 512 MAN A O2 1 HETATM 12165 O O3 . MAN P 5 . ? -29.290 8.169 -38.103 1.00 85.07 ? 512 MAN A O3 1 HETATM 12166 O O4 . MAN P 5 . ? -28.338 6.116 -40.411 1.00 104.11 ? 512 MAN A O4 1 HETATM 12167 O O5 . MAN P 5 . ? -28.906 4.290 -37.370 1.00 100.16 ? 512 MAN A O5 1 HETATM 12168 O O6 . MAN P 5 . ? -26.634 2.602 -38.250 1.00 89.11 ? 512 MAN A O6 1 HETATM 12169 CA CA . CA Q 2 . ? -10.767 44.044 -107.432 1.00 78.91 ? 501 CA B CA 1 HETATM 12170 C C1 . NAG R 3 . ? -20.260 62.484 -83.746 1.00 78.39 ? 502 NAG B C1 1 HETATM 12171 C C2 . NAG R 3 . ? -21.515 63.050 -83.097 1.00 80.45 ? 502 NAG B C2 1 HETATM 12172 C C3 . NAG R 3 . ? -22.259 63.979 -84.031 1.00 83.26 ? 502 NAG B C3 1 HETATM 12173 C C4 . NAG R 3 . ? -21.347 64.848 -84.907 1.00 95.01 ? 502 NAG B C4 1 HETATM 12174 C C5 . NAG R 3 . ? -20.005 64.195 -85.297 1.00 97.30 ? 502 NAG B C5 1 HETATM 12175 C C6 . NAG R 3 . ? -18.966 65.123 -85.961 1.00 93.25 ? 502 NAG B C6 1 HETATM 12176 C C7 . NAG R 3 . ? -22.611 61.710 -81.402 1.00 79.73 ? 502 NAG B C7 1 HETATM 12177 C C8 . NAG R 3 . ? -23.535 60.592 -81.040 1.00 80.59 ? 502 NAG B C8 1 HETATM 12178 N N2 . NAG R 3 . ? -22.404 61.977 -82.688 1.00 82.55 ? 502 NAG B N2 1 HETATM 12179 O O3 . NAG R 3 . ? -23.053 64.788 -83.221 1.00 76.53 ? 502 NAG B O3 1 HETATM 12180 O O4 . NAG R 3 . ? -22.071 65.115 -86.098 1.00 110.82 ? 502 NAG B O4 1 HETATM 12181 O O5 . NAG R 3 . ? -19.458 63.568 -84.158 1.00 77.74 ? 502 NAG B O5 1 HETATM 12182 O O6 . NAG R 3 . ? -18.889 66.333 -85.243 1.00 95.81 ? 502 NAG B O6 1 HETATM 12183 O O7 . NAG R 3 . ? -22.070 62.353 -80.514 1.00 66.15 ? 502 NAG B O7 1 HETATM 12184 C C1 . NAG S 3 . ? -22.140 66.538 -86.274 1.00 120.83 ? 503 NAG B C1 1 HETATM 12185 C C2 . NAG S 3 . ? -22.714 66.886 -87.655 1.00 113.92 ? 503 NAG B C2 1 HETATM 12186 C C3 . NAG S 3 . ? -22.889 68.414 -87.684 1.00 117.55 ? 503 NAG B C3 1 HETATM 12187 C C4 . NAG S 3 . ? -23.479 68.992 -86.371 1.00 121.03 ? 503 NAG B C4 1 HETATM 12188 C C5 . NAG S 3 . ? -22.745 68.494 -85.132 1.00 119.73 ? 503 NAG B C5 1 HETATM 12189 C C6 . NAG S 3 . ? -23.346 69.063 -83.842 1.00 116.40 ? 503 NAG B C6 1 HETATM 12190 C C7 . NAG S 3 . ? -22.172 65.510 -89.737 1.00 112.06 ? 503 NAG B C7 1 HETATM 12191 C C8 . NAG S 3 . ? -21.138 65.156 -90.780 1.00 101.39 ? 503 NAG B C8 1 HETATM 12192 N N2 . NAG S 3 . ? -21.851 66.410 -88.760 1.00 110.73 ? 503 NAG B N2 1 HETATM 12193 O O3 . NAG S 3 . ? -23.693 68.752 -88.799 1.00 114.04 ? 503 NAG B O3 1 HETATM 12194 O O4 . NAG S 3 . ? -23.443 70.403 -86.320 1.00 124.54 ? 503 NAG B O4 1 HETATM 12195 O O5 . NAG S 3 . ? -22.875 67.103 -85.192 1.00 121.58 ? 503 NAG B O5 1 HETATM 12196 O O6 . NAG S 3 . ? -23.230 68.176 -82.751 1.00 104.44 ? 503 NAG B O6 1 HETATM 12197 O O7 . NAG S 3 . ? -23.262 64.948 -89.852 1.00 112.48 ? 503 NAG B O7 1 HETATM 12198 C C1 . NAG T 3 . ? 16.960 24.468 -91.583 1.00 116.58 ? 504 NAG B C1 1 HETATM 12199 C C2 . NAG T 3 . ? 17.410 22.985 -91.775 1.00 125.74 ? 504 NAG B C2 1 HETATM 12200 C C3 . NAG T 3 . ? 18.860 22.716 -91.305 1.00 130.01 ? 504 NAG B C3 1 HETATM 12201 C C4 . NAG T 3 . ? 19.877 23.837 -91.506 1.00 135.20 ? 504 NAG B C4 1 HETATM 12202 C C5 . NAG T 3 . ? 19.249 25.135 -90.978 1.00 139.56 ? 504 NAG B C5 1 HETATM 12203 C C6 . NAG T 3 . ? 20.225 26.335 -90.766 1.00 123.47 ? 504 NAG B C6 1 HETATM 12204 C C7 . NAG T 3 . ? 15.406 21.480 -91.534 1.00 102.16 ? 504 NAG B C7 1 HETATM 12205 C C8 . NAG T 3 . ? 14.784 20.297 -90.821 1.00 91.83 ? 504 NAG B C8 1 HETATM 12206 N N2 . NAG T 3 . ? 16.626 21.886 -91.158 1.00 115.38 ? 504 NAG B N2 1 HETATM 12207 O O3 . NAG T 3 . ? 19.345 21.553 -91.925 1.00 111.96 ? 504 NAG B O3 1 HETATM 12208 O O4 . NAG T 3 . ? 21.038 23.464 -90.795 1.00 131.99 ? 504 NAG B O4 1 HETATM 12209 O O5 . NAG T 3 . ? 18.091 25.345 -91.807 1.00 139.09 ? 504 NAG B O5 1 HETATM 12210 O O6 . NAG T 3 . ? 20.414 27.191 -91.872 1.00 121.45 ? 504 NAG B O6 1 HETATM 12211 O O7 . NAG T 3 . ? 14.793 22.055 -92.422 1.00 89.96 ? 504 NAG B O7 1 HETATM 12212 C C1 . NAG U 3 . ? 10.676 60.658 -93.433 1.00 43.16 ? 505 NAG B C1 1 HETATM 12213 C C2 . NAG U 3 . ? 11.008 62.183 -93.660 1.00 52.04 ? 505 NAG B C2 1 HETATM 12214 C C3 . NAG U 3 . ? 12.471 62.554 -93.661 1.00 53.83 ? 505 NAG B C3 1 HETATM 12215 C C4 . NAG U 3 . ? 13.153 62.050 -92.422 1.00 52.44 ? 505 NAG B C4 1 HETATM 12216 C C5 . NAG U 3 . ? 12.711 60.615 -92.127 1.00 46.56 ? 505 NAG B C5 1 HETATM 12217 C C6 . NAG U 3 . ? 13.146 60.075 -90.760 1.00 45.03 ? 505 NAG B C6 1 HETATM 12218 C C7 . NAG U 3 . ? 9.267 63.321 -94.970 1.00 56.89 ? 505 NAG B C7 1 HETATM 12219 C C8 . NAG U 3 . ? 8.818 63.687 -96.362 1.00 55.45 ? 505 NAG B C8 1 HETATM 12220 N N2 . NAG U 3 . ? 10.426 62.692 -94.884 1.00 51.96 ? 505 NAG B N2 1 HETATM 12221 O O3 . NAG U 3 . ? 12.508 63.955 -93.560 1.00 56.87 ? 505 NAG B O3 1 HETATM 12222 O O4 . NAG U 3 . ? 14.563 62.336 -92.562 1.00 64.52 ? 505 NAG B O4 1 HETATM 12223 O O5 . NAG U 3 . ? 11.303 60.360 -92.221 1.00 42.43 ? 505 NAG B O5 1 HETATM 12224 O O6 . NAG U 3 . ? 12.218 60.472 -89.744 1.00 44.66 ? 505 NAG B O6 1 HETATM 12225 O O7 . NAG U 3 . ? 8.592 63.624 -93.980 1.00 56.91 ? 505 NAG B O7 1 HETATM 12226 C C1 . NAG V 3 . ? 15.090 62.767 -91.239 1.00 63.66 ? 506 NAG B C1 1 HETATM 12227 C C2 . NAG V 3 . ? 16.566 62.448 -91.017 1.00 60.11 ? 506 NAG B C2 1 HETATM 12228 C C3 . NAG V 3 . ? 17.273 63.167 -89.849 1.00 77.24 ? 506 NAG B C3 1 HETATM 12229 C C4 . NAG V 3 . ? 16.837 64.624 -89.721 1.00 82.92 ? 506 NAG B C4 1 HETATM 12230 C C5 . NAG V 3 . ? 15.313 64.752 -89.836 1.00 70.48 ? 506 NAG B C5 1 HETATM 12231 C C6 . NAG V 3 . ? 14.922 66.214 -89.962 1.00 72.51 ? 506 NAG B C6 1 HETATM 12232 C C7 . NAG V 3 . ? 17.262 60.106 -91.180 1.00 61.83 ? 506 NAG B C7 1 HETATM 12233 C C8 . NAG V 3 . ? 17.311 58.783 -90.425 1.00 57.56 ? 506 NAG B C8 1 HETATM 12234 N N2 . NAG V 3 . ? 16.663 61.110 -90.523 1.00 53.84 ? 506 NAG B N2 1 HETATM 12235 O O3 . NAG V 3 . ? 18.715 63.001 -89.745 1.00 67.34 ? 506 NAG B O3 1 HETATM 12236 O O4 . NAG V 3 . ? 17.353 65.193 -88.511 1.00 78.50 ? 506 NAG B O4 1 HETATM 12237 O O5 . NAG V 3 . ? 14.884 64.154 -91.055 1.00 80.01 ? 506 NAG B O5 1 HETATM 12238 O O6 . NAG V 3 . ? 15.496 66.761 -91.142 1.00 72.81 ? 506 NAG B O6 1 HETATM 12239 O O7 . NAG V 3 . ? 17.746 60.206 -92.334 1.00 70.29 ? 506 NAG B O7 1 HETATM 12240 C C1 . BMA W 4 . ? 18.055 66.429 -88.773 1.00 84.61 ? 507 BMA B C1 1 HETATM 12241 C C2 . BMA W 4 . ? 17.858 67.458 -87.643 1.00 82.17 ? 507 BMA B C2 1 HETATM 12242 C C3 . BMA W 4 . ? 18.565 68.788 -87.969 1.00 84.10 ? 507 BMA B C3 1 HETATM 12243 C C4 . BMA W 4 . ? 20.034 68.524 -88.329 1.00 85.32 ? 507 BMA B C4 1 HETATM 12244 C C5 . BMA W 4 . ? 20.105 67.422 -89.390 1.00 91.36 ? 507 BMA B C5 1 HETATM 12245 C C6 . BMA W 4 . ? 21.512 67.042 -89.727 1.00 92.32 ? 507 BMA B C6 1 HETATM 12246 O O2 . BMA W 4 . ? 18.372 66.872 -86.449 1.00 74.79 ? 507 BMA B O2 1 HETATM 12247 O O3 . BMA W 4 . ? 18.465 69.706 -86.873 1.00 83.02 ? 507 BMA B O3 1 HETATM 12248 O O4 . BMA W 4 . ? 20.620 69.713 -88.849 1.00 75.38 ? 507 BMA B O4 1 HETATM 12249 O O5 . BMA W 4 . ? 19.449 66.206 -89.001 1.00 89.76 ? 507 BMA B O5 1 HETATM 12250 O O6 . BMA W 4 . ? 21.441 66.568 -91.075 1.00 97.10 ? 507 BMA B O6 1 HETATM 12251 C C1 . MAN X 5 . ? 18.066 71.057 -87.248 1.00 88.01 ? 508 MAN B C1 1 HETATM 12252 C C2 . MAN X 5 . ? 18.170 71.946 -85.986 1.00 91.50 ? 508 MAN B C2 1 HETATM 12253 C C3 . MAN X 5 . ? 17.001 71.674 -85.012 1.00 85.62 ? 508 MAN B C3 1 HETATM 12254 C C4 . MAN X 5 . ? 15.651 71.826 -85.733 1.00 85.49 ? 508 MAN B C4 1 HETATM 12255 C C5 . MAN X 5 . ? 15.667 70.859 -86.961 1.00 84.70 ? 508 MAN B C5 1 HETATM 12256 C C6 . MAN X 5 . ? 14.385 70.736 -87.808 1.00 82.70 ? 508 MAN B C6 1 HETATM 12257 O O2 . MAN X 5 . ? 18.177 73.313 -86.352 1.00 99.33 ? 508 MAN B O2 1 HETATM 12258 O O3 . MAN X 5 . ? 17.081 72.489 -83.873 1.00 72.52 ? 508 MAN B O3 1 HETATM 12259 O O4 . MAN X 5 . ? 14.592 71.611 -84.805 1.00 78.51 ? 508 MAN B O4 1 HETATM 12260 O O5 . MAN X 5 . ? 16.760 71.159 -87.829 1.00 78.31 ? 508 MAN B O5 1 HETATM 12261 O O6 . MAN X 5 . ? 14.287 69.423 -88.357 1.00 78.21 ? 508 MAN B O6 1 HETATM 12262 C C1 . MAN Y 5 . ? 19.341 74.047 -85.892 1.00 111.20 ? 509 MAN B C1 1 HETATM 12263 C C2 . MAN Y 5 . ? 18.912 75.530 -85.775 1.00 112.41 ? 509 MAN B C2 1 HETATM 12264 C C3 . MAN Y 5 . ? 18.616 76.021 -87.204 1.00 108.58 ? 509 MAN B C3 1 HETATM 12265 C C4 . MAN Y 5 . ? 19.760 75.683 -88.188 1.00 108.71 ? 509 MAN B C4 1 HETATM 12266 C C5 . MAN Y 5 . ? 20.216 74.214 -88.107 1.00 108.07 ? 509 MAN B C5 1 HETATM 12267 C C6 . MAN Y 5 . ? 21.506 73.978 -88.875 1.00 104.25 ? 509 MAN B C6 1 HETATM 12268 O O2 . MAN Y 5 . ? 19.786 76.363 -84.990 1.00 104.69 ? 509 MAN B O2 1 HETATM 12269 O O3 . MAN Y 5 . ? 18.261 77.379 -87.196 1.00 105.62 ? 509 MAN B O3 1 HETATM 12270 O O4 . MAN Y 5 . ? 19.338 75.943 -89.510 1.00 96.13 ? 509 MAN B O4 1 HETATM 12271 O O5 . MAN Y 5 . ? 20.452 73.842 -86.761 1.00 105.38 ? 509 MAN B O5 1 HETATM 12272 O O6 . MAN Y 5 . ? 22.506 74.770 -88.280 1.00 99.41 ? 509 MAN B O6 1 HETATM 12273 C C1 . MAN Z 5 . ? 22.744 66.047 -91.365 1.00 115.24 ? 510 MAN B C1 1 HETATM 12274 C C2 . MAN Z 5 . ? 22.743 65.396 -92.738 1.00 120.73 ? 510 MAN B C2 1 HETATM 12275 C C3 . MAN Z 5 . ? 23.968 64.459 -92.684 1.00 115.15 ? 510 MAN B C3 1 HETATM 12276 C C4 . MAN Z 5 . ? 25.249 65.217 -92.180 1.00 112.89 ? 510 MAN B C4 1 HETATM 12277 C C5 . MAN Z 5 . ? 25.024 66.213 -91.013 1.00 115.45 ? 510 MAN B C5 1 HETATM 12278 C C6 . MAN Z 5 . ? 26.208 67.111 -90.575 1.00 113.48 ? 510 MAN B C6 1 HETATM 12279 O O2 . MAN Z 5 . ? 22.754 66.371 -93.779 1.00 115.30 ? 510 MAN B O2 1 HETATM 12280 O O3 . MAN Z 5 . ? 24.090 63.730 -93.918 1.00 130.94 ? 510 MAN B O3 1 HETATM 12281 O O4 . MAN Z 5 . ? 26.187 64.315 -91.652 1.00 96.13 ? 510 MAN B O4 1 HETATM 12282 O O5 . MAN Z 5 . ? 23.846 66.958 -91.279 1.00 117.63 ? 510 MAN B O5 1 HETATM 12283 O O6 . MAN Z 5 . ? 27.052 67.584 -91.611 1.00 112.46 ? 510 MAN B O6 1 HETATM 12284 C C1 . MAN AA 5 . ? 23.465 62.387 -94.058 1.00 128.28 ? 511 MAN B C1 1 HETATM 12285 C C2 . MAN AA 5 . ? 21.940 62.400 -93.779 1.00 107.40 ? 511 MAN B C2 1 HETATM 12286 C C3 . MAN AA 5 . ? 21.360 61.029 -93.410 1.00 101.57 ? 511 MAN B C3 1 HETATM 12287 C C4 . MAN AA 5 . ? 22.118 60.391 -92.226 1.00 110.72 ? 511 MAN B C4 1 HETATM 12288 C C5 . MAN AA 5 . ? 23.626 60.772 -92.150 1.00 124.39 ? 511 MAN B C5 1 HETATM 12289 C C6 . MAN AA 5 . ? 24.555 59.607 -91.735 1.00 119.59 ? 511 MAN B C6 1 HETATM 12290 O O2 . MAN AA 5 . ? 21.250 63.000 -94.859 1.00 75.54 ? 511 MAN B O2 1 HETATM 12291 O O3 . MAN AA 5 . ? 21.419 60.197 -94.548 1.00 82.03 ? 511 MAN B O3 1 HETATM 12292 O O4 . MAN AA 5 . ? 21.480 60.719 -91.013 1.00 78.13 ? 511 MAN B O4 1 HETATM 12293 O O5 . MAN AA 5 . ? 24.145 61.299 -93.384 1.00 140.69 ? 511 MAN B O5 1 HETATM 12294 O O6 . MAN AA 5 . ? 25.063 59.787 -90.429 1.00 89.99 ? 511 MAN B O6 1 HETATM 12295 CA CA . CA BA 2 . ? 16.497 71.788 -64.013 1.00 84.43 ? 501 CA C CA 1 HETATM 12296 C C1 . NAG CA 3 . ? -14.406 68.223 -56.308 1.00 66.33 ? 502 NAG C C1 1 HETATM 12297 C C2 . NAG CA 3 . ? -15.827 68.553 -56.707 1.00 75.86 ? 502 NAG C C2 1 HETATM 12298 C C3 . NAG CA 3 . ? -16.181 70.044 -56.441 1.00 81.48 ? 502 NAG C C3 1 HETATM 12299 C C4 . NAG CA 3 . ? -15.709 70.583 -55.086 1.00 83.99 ? 502 NAG C C4 1 HETATM 12300 C C5 . NAG CA 3 . ? -14.235 70.160 -55.012 1.00 81.70 ? 502 NAG C C5 1 HETATM 12301 C C6 . NAG CA 3 . ? -13.444 70.600 -53.793 1.00 79.34 ? 502 NAG C C6 1 HETATM 12302 C C7 . NAG CA 3 . ? -16.953 67.270 -58.475 1.00 64.61 ? 502 NAG C C7 1 HETATM 12303 C C8 . NAG CA 3 . ? -17.057 66.920 -59.934 1.00 63.20 ? 502 NAG C C8 1 HETATM 12304 N N2 . NAG CA 3 . ? -16.004 68.137 -58.102 1.00 68.16 ? 502 NAG C N2 1 HETATM 12305 O O3 . NAG CA 3 . ? -17.572 70.248 -56.492 1.00 83.20 ? 502 NAG C O3 1 HETATM 12306 O O4 . NAG CA 3 . ? -15.978 71.984 -55.132 1.00 104.26 ? 502 NAG C O4 1 HETATM 12307 O O5 . NAG CA 3 . ? -14.206 68.737 -55.028 1.00 67.55 ? 502 NAG C O5 1 HETATM 12308 O O6 . NAG CA 3 . ? -13.977 69.890 -52.710 1.00 75.97 ? 502 NAG C O6 1 HETATM 12309 O O7 . NAG CA 3 . ? -17.716 66.746 -57.669 1.00 60.45 ? 502 NAG C O7 1 HETATM 12310 C C1 . NAG DA 3 . ? -16.337 72.661 -53.896 1.00 115.37 ? 503 NAG C C1 1 HETATM 12311 C C2 . NAG DA 3 . ? -16.073 74.194 -54.064 1.00 115.96 ? 503 NAG C C2 1 HETATM 12312 C C3 . NAG DA 3 . ? -17.189 75.195 -53.607 1.00 119.59 ? 503 NAG C C3 1 HETATM 12313 C C4 . NAG DA 3 . ? -18.385 74.546 -52.901 1.00 129.87 ? 503 NAG C C4 1 HETATM 12314 C C5 . NAG DA 3 . ? -17.907 73.216 -52.285 1.00 130.59 ? 503 NAG C C5 1 HETATM 12315 C C6 . NAG DA 3 . ? -18.816 72.563 -51.231 1.00 119.83 ? 503 NAG C C6 1 HETATM 12316 C C7 . NAG DA 3 . ? -13.622 74.700 -53.965 1.00 100.27 ? 503 NAG C C7 1 HETATM 12317 C C8 . NAG DA 3 . ? -12.409 74.960 -53.083 1.00 93.13 ? 503 NAG C C8 1 HETATM 12318 N N2 . NAG DA 3 . ? -14.806 74.474 -53.365 1.00 109.16 ? 503 NAG C N2 1 HETATM 12319 O O3 . NAG DA 3 . ? -17.729 75.996 -54.649 1.00 105.31 ? 503 NAG C O3 1 HETATM 12320 O O4 . NAG DA 3 . ? -18.951 75.477 -51.989 1.00 124.91 ? 503 NAG C O4 1 HETATM 12321 O O5 . NAG DA 3 . ? -17.647 72.381 -53.417 1.00 114.01 ? 503 NAG C O5 1 HETATM 12322 O O6 . NAG DA 3 . ? -19.796 71.779 -51.854 1.00 120.41 ? 503 NAG C O6 1 HETATM 12323 O O7 . NAG DA 3 . ? -13.491 74.719 -55.189 1.00 78.19 ? 503 NAG C O7 1 HETATM 12324 C C1 . NAG EA 3 . ? 28.854 37.290 -58.252 1.00 90.81 ? 504 NAG C C1 1 HETATM 12325 C C2 . NAG EA 3 . ? 30.382 37.487 -58.444 1.00 96.14 ? 504 NAG C C2 1 HETATM 12326 C C3 . NAG EA 3 . ? 31.219 36.393 -57.765 1.00 100.90 ? 504 NAG C C3 1 HETATM 12327 C C4 . NAG EA 3 . ? 30.639 35.994 -56.396 1.00 106.06 ? 504 NAG C C4 1 HETATM 12328 C C5 . NAG EA 3 . ? 29.143 35.657 -56.607 1.00 106.65 ? 504 NAG C C5 1 HETATM 12329 C C6 . NAG EA 3 . ? 28.453 34.900 -55.462 1.00 102.99 ? 504 NAG C C6 1 HETATM 12330 C C7 . NAG EA 3 . ? 30.898 38.519 -60.653 1.00 81.75 ? 504 NAG C C7 1 HETATM 12331 C C8 . NAG EA 3 . ? 30.943 38.334 -62.136 1.00 85.28 ? 504 NAG C C8 1 HETATM 12332 N N2 . NAG EA 3 . ? 30.552 37.467 -59.902 1.00 94.85 ? 504 NAG C N2 1 HETATM 12333 O O3 . NAG EA 3 . ? 32.562 36.792 -57.641 1.00 91.39 ? 504 NAG C O3 1 HETATM 12334 O O4 . NAG EA 3 . ? 31.434 34.971 -55.802 1.00 90.60 ? 504 NAG C O4 1 HETATM 12335 O O5 . NAG EA 3 . ? 28.487 36.890 -56.938 1.00 96.17 ? 504 NAG C O5 1 HETATM 12336 O O6 . NAG EA 3 . ? 28.045 35.772 -54.428 1.00 98.71 ? 504 NAG C O6 1 HETATM 12337 O O7 . NAG EA 3 . ? 31.157 39.624 -60.211 1.00 72.90 ? 504 NAG C O7 1 HETATM 12338 C C1 . NAG FA 3 . ? 9.349 58.602 -37.075 1.00 40.11 ? 505 NAG C C1 1 HETATM 12339 C C2 . NAG FA 3 . ? 8.940 59.303 -35.744 1.00 41.55 ? 505 NAG C C2 1 HETATM 12340 C C3 . NAG FA 3 . ? 9.471 58.629 -34.460 1.00 45.14 ? 505 NAG C C3 1 HETATM 12341 C C4 . NAG FA 3 . ? 9.150 57.131 -34.547 1.00 43.28 ? 505 NAG C C4 1 HETATM 12342 C C5 . NAG FA 3 . ? 9.614 56.551 -35.918 1.00 42.34 ? 505 NAG C C5 1 HETATM 12343 C C6 . NAG FA 3 . ? 9.284 55.072 -36.091 1.00 39.54 ? 505 NAG C C6 1 HETATM 12344 C C7 . NAG FA 3 . ? 8.769 61.735 -36.105 1.00 46.11 ? 505 NAG C C7 1 HETATM 12345 C C8 . NAG FA 3 . ? 9.472 63.062 -36.198 1.00 40.40 ? 505 NAG C C8 1 HETATM 12346 N N2 . NAG FA 3 . ? 9.481 60.635 -35.799 1.00 42.24 ? 505 NAG C N2 1 HETATM 12347 O O3 . NAG FA 3 . ? 8.838 59.225 -33.335 1.00 46.89 ? 505 NAG C O3 1 HETATM 12348 O O4 . NAG FA 3 . ? 9.841 56.428 -33.527 1.00 43.81 ? 505 NAG C O4 1 HETATM 12349 O O5 . NAG FA 3 . ? 9.102 57.232 -37.049 1.00 42.75 ? 505 NAG C O5 1 HETATM 12350 O O6 . NAG FA 3 . ? 7.879 54.898 -36.018 1.00 37.77 ? 505 NAG C O6 1 HETATM 12351 O O7 . NAG FA 3 . ? 7.568 61.717 -36.329 1.00 50.73 ? 505 NAG C O7 1 HETATM 12352 C C1 . NAG GA 3 . ? 9.016 55.739 -32.594 1.00 43.87 ? 506 NAG C C1 1 HETATM 12353 C C2 . NAG GA 3 . ? 9.874 54.903 -31.693 1.00 44.19 ? 506 NAG C C2 1 HETATM 12354 C C3 . NAG GA 3 . ? 9.036 54.186 -30.679 1.00 45.37 ? 506 NAG C C3 1 HETATM 12355 C C4 . NAG GA 3 . ? 8.182 55.132 -29.888 1.00 44.51 ? 506 NAG C C4 1 HETATM 12356 C C5 . NAG GA 3 . ? 7.409 56.014 -30.879 1.00 43.42 ? 506 NAG C C5 1 HETATM 12357 C C6 . NAG GA 3 . ? 6.631 57.064 -30.066 1.00 43.73 ? 506 NAG C C6 1 HETATM 12358 C C7 . NAG GA 3 . ? 11.771 53.706 -32.635 1.00 51.39 ? 506 NAG C C7 1 HETATM 12359 C C8 . NAG GA 3 . ? 12.272 52.561 -33.499 1.00 49.92 ? 506 NAG C C8 1 HETATM 12360 N N2 . NAG GA 3 . ? 10.439 53.845 -32.470 1.00 49.07 ? 506 NAG C N2 1 HETATM 12361 O O3 . NAG GA 3 . ? 9.777 53.429 -29.775 1.00 51.20 ? 506 NAG C O3 1 HETATM 12362 O O4 . NAG GA 3 . ? 7.355 54.302 -29.113 1.00 46.29 ? 506 NAG C O4 1 HETATM 12363 O O5 . NAG GA 3 . ? 8.316 56.649 -31.817 1.00 40.63 ? 506 NAG C O5 1 HETATM 12364 O O6 . NAG GA 3 . ? 7.641 57.805 -29.376 1.00 49.09 ? 506 NAG C O6 1 HETATM 12365 O O7 . NAG GA 3 . ? 12.576 54.500 -32.165 1.00 49.45 ? 506 NAG C O7 1 HETATM 12366 C C1 . BMA HA 4 . ? 7.289 54.685 -27.742 1.00 50.41 ? 507 BMA C C1 1 HETATM 12367 C C2 . BMA HA 4 . ? 5.964 54.338 -27.038 1.00 51.86 ? 507 BMA C C2 1 HETATM 12368 C C3 . BMA HA 4 . ? 6.019 54.803 -25.576 1.00 55.30 ? 507 BMA C C3 1 HETATM 12369 C C4 . BMA HA 4 . ? 7.244 54.247 -24.916 1.00 54.38 ? 507 BMA C C4 1 HETATM 12370 C C5 . BMA HA 4 . ? 8.465 54.542 -25.743 1.00 53.13 ? 507 BMA C C5 1 HETATM 12371 C C6 . BMA HA 4 . ? 9.676 53.879 -25.104 1.00 56.62 ? 507 BMA C C6 1 HETATM 12372 O O2 . BMA HA 4 . ? 5.736 52.937 -27.117 1.00 50.09 ? 507 BMA C O2 1 HETATM 12373 O O3 . BMA HA 4 . ? 4.909 54.411 -24.740 1.00 57.33 ? 507 BMA C O3 1 HETATM 12374 O O4 . BMA HA 4 . ? 7.350 54.835 -23.629 1.00 57.25 ? 507 BMA C O4 1 HETATM 12375 O O5 . BMA HA 4 . ? 8.332 54.032 -27.080 1.00 49.73 ? 507 BMA C O5 1 HETATM 12376 O O6 . BMA HA 4 . ? 10.780 54.710 -25.509 1.00 68.80 ? 507 BMA C O6 1 HETATM 12377 C C1 . MAN IA 5 . ? 4.061 55.509 -24.310 1.00 61.88 ? 508 MAN C C1 1 HETATM 12378 C C2 . MAN IA 5 . ? 2.771 54.912 -23.746 1.00 73.47 ? 508 MAN C C2 1 HETATM 12379 C C3 . MAN IA 5 . ? 1.623 54.802 -24.767 1.00 68.81 ? 508 MAN C C3 1 HETATM 12380 C C4 . MAN IA 5 . ? 1.386 56.096 -25.511 1.00 68.53 ? 508 MAN C C4 1 HETATM 12381 C C5 . MAN IA 5 . ? 2.699 56.364 -26.226 1.00 63.71 ? 508 MAN C C5 1 HETATM 12382 C C6 . MAN IA 5 . ? 2.629 57.560 -27.180 1.00 59.79 ? 508 MAN C C6 1 HETATM 12383 O O2 . MAN IA 5 . ? 2.321 55.774 -22.730 1.00 87.42 ? 508 MAN C O2 1 HETATM 12384 O O3 . MAN IA 5 . ? 0.446 54.557 -24.093 1.00 63.86 ? 508 MAN C O3 1 HETATM 12385 O O4 . MAN IA 5 . ? 0.315 55.933 -26.430 1.00 76.14 ? 508 MAN C O4 1 HETATM 12386 O O5 . MAN IA 5 . ? 3.732 56.525 -25.270 1.00 55.70 ? 508 MAN C O5 1 HETATM 12387 O O6 . MAN IA 5 . ? 3.823 57.466 -27.910 1.00 67.20 ? 508 MAN C O6 1 HETATM 12388 C C1 . MAN JA 5 . ? 2.650 55.327 -21.408 1.00 90.02 ? 509 MAN C C1 1 HETATM 12389 C C2 . MAN JA 5 . ? 1.525 56.064 -20.631 1.00 93.85 ? 509 MAN C C2 1 HETATM 12390 C C3 . MAN JA 5 . ? 1.967 57.474 -20.377 1.00 89.28 ? 509 MAN C C3 1 HETATM 12391 C C4 . MAN JA 5 . ? 3.274 57.468 -19.635 1.00 81.72 ? 509 MAN C C4 1 HETATM 12392 C C5 . MAN JA 5 . ? 4.392 56.566 -20.200 1.00 82.81 ? 509 MAN C C5 1 HETATM 12393 C C6 . MAN JA 5 . ? 5.032 55.769 -19.063 1.00 89.29 ? 509 MAN C C6 1 HETATM 12394 O O2 . MAN JA 5 . ? 1.028 55.477 -19.432 1.00 103.49 ? 509 MAN C O2 1 HETATM 12395 O O3 . MAN JA 5 . ? 1.008 58.156 -19.616 1.00 90.56 ? 509 MAN C O3 1 HETATM 12396 O O4 . MAN JA 5 . ? 3.598 58.793 -19.856 1.00 75.31 ? 509 MAN C O4 1 HETATM 12397 O O5 . MAN JA 5 . ? 4.038 55.609 -21.179 1.00 75.84 ? 509 MAN C O5 1 HETATM 12398 O O6 . MAN JA 5 . ? 4.131 55.055 -18.218 1.00 82.69 ? 509 MAN C O6 1 HETATM 12399 C C1 . MAN KA 5 . ? 11.869 54.550 -24.618 1.00 75.14 ? 510 MAN C C1 1 HETATM 12400 C C2 . MAN KA 5 . ? 13.042 55.329 -25.180 1.00 80.69 ? 510 MAN C C2 1 HETATM 12401 C C3 . MAN KA 5 . ? 14.210 54.595 -24.520 1.00 92.49 ? 510 MAN C C3 1 HETATM 12402 C C4 . MAN KA 5 . ? 13.951 54.548 -22.976 1.00 93.24 ? 510 MAN C C4 1 HETATM 12403 C C5 . MAN KA 5 . ? 12.588 53.920 -22.543 1.00 80.30 ? 510 MAN C C5 1 HETATM 12404 C C6 . MAN KA 5 . ? 12.450 53.590 -21.008 1.00 74.08 ? 510 MAN C C6 1 HETATM 12405 O O2 . MAN KA 5 . ? 12.935 56.710 -24.908 1.00 70.55 ? 510 MAN C O2 1 HETATM 12406 O O3 . MAN KA 5 . ? 15.565 54.895 -24.940 1.00 113.21 ? 510 MAN C O3 1 HETATM 12407 O O4 . MAN KA 5 . ? 15.009 53.900 -22.311 1.00 119.72 ? 510 MAN C O4 1 HETATM 12408 O O5 . MAN KA 5 . ? 11.687 54.816 -23.213 1.00 73.61 ? 510 MAN C O5 1 HETATM 12409 O O6 . MAN KA 5 . ? 11.209 53.561 -20.285 1.00 64.81 ? 510 MAN C O6 1 HETATM 12410 C C1 . MAN LA 5 . ? 16.012 55.920 -25.902 1.00 126.57 ? 511 MAN C C1 1 HETATM 12411 C C2 . MAN LA 5 . ? 15.586 55.692 -27.347 1.00 117.75 ? 511 MAN C C2 1 HETATM 12412 C C3 . MAN LA 5 . ? 15.940 54.258 -27.676 1.00 111.50 ? 511 MAN C C3 1 HETATM 12413 C C4 . MAN LA 5 . ? 17.460 53.996 -27.506 1.00 118.91 ? 511 MAN C C4 1 HETATM 12414 C C5 . MAN LA 5 . ? 18.116 54.763 -26.330 1.00 126.93 ? 511 MAN C C5 1 HETATM 12415 C C6 . MAN LA 5 . ? 19.630 54.994 -26.534 1.00 124.06 ? 511 MAN C C6 1 HETATM 12416 O O2 . MAN LA 5 . ? 16.263 56.579 -28.244 1.00 97.89 ? 511 MAN C O2 1 HETATM 12417 O O3 . MAN LA 5 . ? 15.474 54.125 -28.994 1.00 98.23 ? 511 MAN C O3 1 HETATM 12418 O O4 . MAN LA 5 . ? 17.739 52.619 -27.290 1.00 106.87 ? 511 MAN C O4 1 HETATM 12419 O O5 . MAN LA 5 . ? 17.445 55.988 -26.001 1.00 135.96 ? 511 MAN C O5 1 HETATM 12420 O O6 . MAN LA 5 . ? 20.392 53.956 -25.947 1.00 116.08 ? 511 MAN C O6 1 HETATM 12421 CA CA . CA MA 2 . ? -39.009 11.399 -68.580 1.00 63.77 ? 501 CA D CA 1 HETATM 12422 C C1 . NAG NA 3 . ? -38.536 42.265 -75.532 1.00 68.64 ? 502 NAG D C1 1 HETATM 12423 C C2 . NAG NA 3 . ? -38.933 43.602 -74.946 1.00 72.01 ? 502 NAG D C2 1 HETATM 12424 C C3 . NAG NA 3 . ? -40.460 43.774 -74.954 1.00 76.30 ? 502 NAG D C3 1 HETATM 12425 C C4 . NAG NA 3 . ? -41.083 43.579 -76.346 1.00 77.91 ? 502 NAG D C4 1 HETATM 12426 C C5 . NAG NA 3 . ? -40.545 42.207 -76.819 1.00 74.95 ? 502 NAG D C5 1 HETATM 12427 C C6 . NAG NA 3 . ? -40.996 41.729 -78.195 1.00 70.39 ? 502 NAG D C6 1 HETATM 12428 C C7 . NAG NA 3 . ? -37.722 44.678 -73.106 1.00 65.95 ? 502 NAG D C7 1 HETATM 12429 C C8 . NAG NA 3 . ? -37.290 44.651 -71.669 1.00 69.55 ? 502 NAG D C8 1 HETATM 12430 N N2 . NAG NA 3 . ? -38.468 43.686 -73.576 1.00 69.16 ? 502 NAG D N2 1 HETATM 12431 O O3 . NAG NA 3 . ? -40.706 45.058 -74.450 1.00 61.78 ? 502 NAG D O3 1 HETATM 12432 O O4 . NAG NA 3 . ? -42.510 43.734 -76.221 1.00 90.07 ? 502 NAG D O4 1 HETATM 12433 O O5 . NAG NA 3 . ? -39.113 42.220 -76.817 1.00 69.77 ? 502 NAG D O5 1 HETATM 12434 O O6 . NAG NA 3 . ? -40.186 42.304 -79.182 1.00 70.60 ? 502 NAG D O6 1 HETATM 12435 O O7 . NAG NA 3 . ? -37.354 45.606 -73.795 1.00 64.98 ? 502 NAG D O7 1 HETATM 12436 C C1 . NAG OA 3 . ? -43.174 44.524 -77.258 1.00 108.90 ? 503 NAG D C1 1 HETATM 12437 C C2 . NAG OA 3 . ? -44.641 44.073 -77.459 1.00 115.80 ? 503 NAG D C2 1 HETATM 12438 C C3 . NAG OA 3 . ? -45.216 44.824 -78.682 1.00 123.51 ? 503 NAG D C3 1 HETATM 12439 C C4 . NAG OA 3 . ? -45.130 46.337 -78.440 1.00 129.27 ? 503 NAG D C4 1 HETATM 12440 C C5 . NAG OA 3 . ? -43.663 46.701 -78.150 1.00 130.08 ? 503 NAG D C5 1 HETATM 12441 C C6 . NAG OA 3 . ? -43.480 48.200 -77.891 1.00 120.80 ? 503 NAG D C6 1 HETATM 12442 C C7 . NAG OA 3 . ? -44.946 41.737 -76.649 1.00 92.93 ? 503 NAG D C7 1 HETATM 12443 C C8 . NAG OA 3 . ? -44.875 40.291 -77.040 1.00 85.58 ? 503 NAG D C8 1 HETATM 12444 N N2 . NAG OA 3 . ? -44.672 42.621 -77.624 1.00 106.49 ? 503 NAG D N2 1 HETATM 12445 O O3 . NAG OA 3 . ? -46.532 44.444 -79.024 1.00 115.58 ? 503 NAG D O3 1 HETATM 12446 O O4 . NAG OA 3 . ? -45.632 47.076 -79.543 1.00 128.77 ? 503 NAG D O4 1 HETATM 12447 O O5 . NAG OA 3 . ? -43.161 45.936 -77.049 1.00 119.44 ? 503 NAG D O5 1 HETATM 12448 O O6 . NAG OA 3 . ? -42.102 48.470 -77.807 1.00 105.07 ? 503 NAG D O6 1 HETATM 12449 O O7 . NAG OA 3 . ? -45.244 42.032 -75.489 1.00 88.43 ? 503 NAG D O7 1 HETATM 12450 C C1 . NAG PA 3 . ? -3.230 1.687 -72.097 1.00 86.97 ? 504 NAG D C1 1 HETATM 12451 C C2 . NAG PA 3 . ? -2.506 0.693 -71.157 1.00 89.81 ? 504 NAG D C2 1 HETATM 12452 C C3 . NAG PA 3 . ? -1.022 0.526 -71.589 1.00 93.90 ? 504 NAG D C3 1 HETATM 12453 C C4 . NAG PA 3 . ? -1.064 0.057 -73.039 1.00 103.73 ? 504 NAG D C4 1 HETATM 12454 C C5 . NAG PA 3 . ? -1.567 1.155 -73.970 1.00 108.86 ? 504 NAG D C5 1 HETATM 12455 C C6 . NAG PA 3 . ? -1.781 0.635 -75.417 1.00 108.40 ? 504 NAG D C6 1 HETATM 12456 C C7 . NAG PA 3 . ? -3.936 1.036 -69.100 1.00 95.72 ? 504 NAG D C7 1 HETATM 12457 C C8 . NAG PA 3 . ? -3.993 1.488 -67.658 1.00 86.60 ? 504 NAG D C8 1 HETATM 12458 N N2 . NAG PA 3 . ? -2.734 1.105 -69.771 1.00 90.55 ? 504 NAG D N2 1 HETATM 12459 O O3 . NAG PA 3 . ? -0.163 -0.407 -70.928 1.00 74.68 ? 504 NAG D O3 1 HETATM 12460 O O4 . NAG PA 3 . ? 0.228 -0.324 -73.437 1.00 112.89 ? 504 NAG D O4 1 HETATM 12461 O O5 . NAG PA 3 . ? -2.703 1.851 -73.432 1.00 96.73 ? 504 NAG D O5 1 HETATM 12462 O O6 . NAG PA 3 . ? -2.745 1.366 -76.156 1.00 113.20 ? 504 NAG D O6 1 HETATM 12463 O O7 . NAG PA 3 . ? -5.013 0.605 -69.535 1.00 79.60 ? 504 NAG D O7 1 HETATM 12464 C C1 . NAG QA 3 . ? -26.692 19.359 -95.098 1.00 37.79 ? 505 NAG D C1 1 HETATM 12465 C C2 . NAG QA 3 . ? -27.514 19.751 -96.343 1.00 38.31 ? 505 NAG D C2 1 HETATM 12466 C C3 . NAG QA 3 . ? -26.841 19.369 -97.669 1.00 39.31 ? 505 NAG D C3 1 HETATM 12467 C C4 . NAG QA 3 . ? -25.440 19.911 -97.673 1.00 37.96 ? 505 NAG D C4 1 HETATM 12468 C C5 . NAG QA 3 . ? -24.724 19.400 -96.407 1.00 41.20 ? 505 NAG D C5 1 HETATM 12469 C C6 . NAG QA 3 . ? -23.283 19.912 -96.343 1.00 39.58 ? 505 NAG D C6 1 HETATM 12470 C C7 . NAG QA 3 . ? -29.910 19.505 -96.048 1.00 41.81 ? 505 NAG D C7 1 HETATM 12471 C C8 . NAG QA 3 . ? -31.068 18.554 -96.034 1.00 45.43 ? 505 NAG D C8 1 HETATM 12472 N N2 . NAG QA 3 . ? -28.746 19.015 -96.325 1.00 38.43 ? 505 NAG D N2 1 HETATM 12473 O O3 . NAG QA 3 . ? -27.654 19.752 -98.799 1.00 44.56 ? 505 NAG D O3 1 HETATM 12474 O O4 . NAG QA 3 . ? -24.807 19.342 -98.758 1.00 37.62 ? 505 NAG D O4 1 HETATM 12475 O O5 . NAG QA 3 . ? -25.402 19.897 -95.277 1.00 43.24 ? 505 NAG D O5 1 HETATM 12476 O O6 . NAG QA 3 . ? -23.335 21.354 -96.388 1.00 38.80 ? 505 NAG D O6 1 HETATM 12477 O O7 . NAG QA 3 . ? -30.037 20.665 -95.793 1.00 42.29 ? 505 NAG D O7 1 HETATM 12478 C C1 . NAG RA 3 . ? -24.225 20.218 -99.677 1.00 38.94 ? 506 NAG D C1 1 HETATM 12479 C C2 . NAG RA 3 . ? -23.254 19.413 -100.544 1.00 40.99 ? 506 NAG D C2 1 HETATM 12480 C C3 . NAG RA 3 . ? -22.599 20.262 -101.632 1.00 44.59 ? 506 NAG D C3 1 HETATM 12481 C C4 . NAG RA 3 . ? -23.684 20.937 -102.441 1.00 43.78 ? 506 NAG D C4 1 HETATM 12482 C C5 . NAG RA 3 . ? -24.568 21.665 -101.411 1.00 45.26 ? 506 NAG D C5 1 HETATM 12483 C C6 . NAG RA 3 . ? -25.584 22.592 -102.054 1.00 43.69 ? 506 NAG D C6 1 HETATM 12484 C C7 . NAG RA 3 . ? -21.855 17.635 -99.771 1.00 48.12 ? 506 NAG D C7 1 HETATM 12485 C C8 . NAG RA 3 . ? -20.643 17.197 -99.005 1.00 47.80 ? 506 NAG D C8 1 HETATM 12486 N N2 . NAG RA 3 . ? -22.117 18.926 -99.813 1.00 42.81 ? 506 NAG D N2 1 HETATM 12487 O O3 . NAG RA 3 . ? -21.615 19.570 -102.458 1.00 49.25 ? 506 NAG D O3 1 HETATM 12488 O O4 . NAG RA 3 . ? -22.913 21.855 -103.215 1.00 47.44 ? 506 NAG D O4 1 HETATM 12489 O O5 . NAG RA 3 . ? -25.206 20.767 -100.497 1.00 43.12 ? 506 NAG D O5 1 HETATM 12490 O O6 . NAG RA 3 . ? -26.243 21.702 -102.858 1.00 48.82 ? 506 NAG D O6 1 HETATM 12491 O O7 . NAG RA 3 . ? -22.583 16.815 -100.301 1.00 53.86 ? 506 NAG D O7 1 HETATM 12492 C C1 . BMA SA 4 . ? -23.338 22.031 -104.553 1.00 45.28 ? 507 BMA D C1 1 HETATM 12493 C C2 . BMA SA 4 . ? -23.031 23.406 -105.121 1.00 48.47 ? 507 BMA D C2 1 HETATM 12494 C C3 . BMA SA 4 . ? -23.591 23.467 -106.554 1.00 51.84 ? 507 BMA D C3 1 HETATM 12495 C C4 . BMA SA 4 . ? -23.014 22.312 -107.337 1.00 52.87 ? 507 BMA D C4 1 HETATM 12496 C C5 . BMA SA 4 . ? -23.220 20.979 -106.631 1.00 56.62 ? 507 BMA D C5 1 HETATM 12497 C C6 . BMA SA 4 . ? -22.536 19.888 -107.424 1.00 57.96 ? 507 BMA D C6 1 HETATM 12498 O O2 . BMA SA 4 . ? -21.606 23.595 -105.096 1.00 42.16 ? 507 BMA D O2 1 HETATM 12499 O O3 . BMA SA 4 . ? -23.246 24.632 -107.338 1.00 51.37 ? 507 BMA D O3 1 HETATM 12500 O O4 . BMA SA 4 . ? -23.687 22.406 -108.561 1.00 55.74 ? 507 BMA D O4 1 HETATM 12501 O O5 . BMA SA 4 . ? -22.644 21.068 -105.294 1.00 56.31 ? 507 BMA D O5 1 HETATM 12502 O O6 . BMA SA 4 . ? -22.767 18.607 -106.786 1.00 61.10 ? 507 BMA D O6 1 HETATM 12503 C C1 . MAN TA 5 . ? -24.388 25.297 -107.860 1.00 56.32 ? 508 MAN D C1 1 HETATM 12504 C C2 . MAN TA 5 . ? -23.980 26.635 -108.497 1.00 66.67 ? 508 MAN D C2 1 HETATM 12505 C C3 . MAN TA 5 . ? -23.912 27.822 -107.516 1.00 61.21 ? 508 MAN D C3 1 HETATM 12506 C C4 . MAN TA 5 . ? -25.211 27.927 -106.700 1.00 56.57 ? 508 MAN D C4 1 HETATM 12507 C C5 . MAN TA 5 . ? -25.393 26.579 -106.010 1.00 56.11 ? 508 MAN D C5 1 HETATM 12508 C C6 . MAN TA 5 . ? -26.621 26.477 -105.109 1.00 53.50 ? 508 MAN D C6 1 HETATM 12509 O O2 . MAN TA 5 . ? -25.031 26.976 -109.405 1.00 74.44 ? 508 MAN D O2 1 HETATM 12510 O O3 . MAN TA 5 . ? -23.720 28.978 -108.290 1.00 58.79 ? 508 MAN D O3 1 HETATM 12511 O O4 . MAN TA 5 . ? -25.099 28.927 -105.727 1.00 57.61 ? 508 MAN D O4 1 HETATM 12512 O O5 . MAN TA 5 . ? -25.426 25.474 -106.915 1.00 46.52 ? 508 MAN D O5 1 HETATM 12513 O O6 . MAN TA 5 . ? -26.303 25.316 -104.350 1.00 57.64 ? 508 MAN D O6 1 HETATM 12514 C C1 . MAN UA 5 . ? -24.722 26.967 -110.797 1.00 80.56 ? 509 MAN D C1 1 HETATM 12515 C C2 . MAN UA 5 . ? -25.911 27.792 -111.358 1.00 87.36 ? 509 MAN D C2 1 HETATM 12516 C C3 . MAN UA 5 . ? -27.146 26.911 -111.379 1.00 83.36 ? 509 MAN D C3 1 HETATM 12517 C C4 . MAN UA 5 . ? -26.928 25.566 -112.046 1.00 81.77 ? 509 MAN D C4 1 HETATM 12518 C C5 . MAN UA 5 . ? -25.461 25.063 -112.142 1.00 88.22 ? 509 MAN D C5 1 HETATM 12519 C C6 . MAN UA 5 . ? -24.904 25.077 -113.607 1.00 93.39 ? 509 MAN D C6 1 HETATM 12520 O O2 . MAN UA 5 . ? -25.729 28.464 -112.586 1.00 87.22 ? 509 MAN D O2 1 HETATM 12521 O O3 . MAN UA 5 . ? -28.183 27.593 -111.979 1.00 72.80 ? 509 MAN D O3 1 HETATM 12522 O O4 . MAN UA 5 . ? -27.659 24.675 -111.236 1.00 77.64 ? 509 MAN D O4 1 HETATM 12523 O O5 . MAN UA 5 . ? -24.573 25.595 -111.157 1.00 76.25 ? 509 MAN D O5 1 HETATM 12524 O O6 . MAN UA 5 . ? -23.641 25.660 -113.892 1.00 85.43 ? 509 MAN D O6 1 HETATM 12525 C C1 . MAN VA 5 . ? -23.750 17.897 -107.507 1.00 67.19 ? 510 MAN D C1 1 HETATM 12526 C C2 . MAN VA 5 . ? -23.885 16.576 -106.771 1.00 77.18 ? 510 MAN D C2 1 HETATM 12527 C C3 . MAN VA 5 . ? -22.717 15.695 -107.198 1.00 87.51 ? 510 MAN D C3 1 HETATM 12528 C C4 . MAN VA 5 . ? -22.520 15.662 -108.725 1.00 82.16 ? 510 MAN D C4 1 HETATM 12529 C C5 . MAN VA 5 . ? -22.295 17.078 -109.354 1.00 74.39 ? 510 MAN D C5 1 HETATM 12530 C C6 . MAN VA 5 . ? -22.047 17.126 -110.911 1.00 64.10 ? 510 MAN D C6 1 HETATM 12531 O O2 . MAN VA 5 . ? -25.140 15.984 -107.021 1.00 75.94 ? 510 MAN D O2 1 HETATM 12532 O O3 . MAN VA 5 . ? -22.603 14.423 -106.536 1.00 109.08 ? 510 MAN D O3 1 HETATM 12533 O O4 . MAN VA 5 . ? -21.438 14.801 -108.952 1.00 89.51 ? 510 MAN D O4 1 HETATM 12534 O O5 . MAN VA 5 . ? -23.434 17.814 -108.911 1.00 74.83 ? 510 MAN D O5 1 HETATM 12535 O O6 . MAN VA 5 . ? -21.974 18.375 -111.646 1.00 63.12 ? 510 MAN D O6 1 HETATM 12536 C C1 . MAN WA 5 . ? -23.631 13.441 -106.158 1.00 110.11 ? 511 MAN D C1 1 HETATM 12537 C C2 . MAN WA 5 . ? -24.363 13.641 -104.810 1.00 115.22 ? 511 MAN D C2 1 HETATM 12538 C C3 . MAN WA 5 . ? -23.359 13.956 -103.694 1.00 108.93 ? 511 MAN D C3 1 HETATM 12539 C C4 . MAN WA 5 . ? -22.006 13.227 -103.807 1.00 115.59 ? 511 MAN D C4 1 HETATM 12540 C C5 . MAN WA 5 . ? -21.713 12.482 -105.150 1.00 117.78 ? 511 MAN D C5 1 HETATM 12541 C C6 . MAN WA 5 . ? -20.923 11.174 -104.980 1.00 107.80 ? 511 MAN D C6 1 HETATM 12542 O O2 . MAN WA 5 . ? -25.116 12.493 -104.393 1.00 100.90 ? 511 MAN D O2 1 HETATM 12543 O O3 . MAN WA 5 . ? -23.911 13.590 -102.461 1.00 91.15 ? 511 MAN D O3 1 HETATM 12544 O O4 . MAN WA 5 . ? -21.026 14.223 -103.549 1.00 99.41 ? 511 MAN D O4 1 HETATM 12545 O O5 . MAN WA 5 . ? -22.904 12.246 -105.927 1.00 126.69 ? 511 MAN D O5 1 HETATM 12546 O O6 . MAN WA 5 . ? -19.909 11.098 -105.958 1.00 87.94 ? 511 MAN D O6 1 HETATM 12547 O O . HOH XA 6 . ? -22.102 41.257 -38.794 1.00 51.36 ? 601 HOH A O 1 HETATM 12548 O O . HOH XA 6 . ? -10.918 44.147 -52.963 1.00 50.13 ? 602 HOH A O 1 HETATM 12549 O O . HOH XA 6 . ? -3.179 28.148 -17.243 1.00 57.40 ? 603 HOH A O 1 HETATM 12550 O O . HOH XA 6 . ? -39.488 8.903 -50.193 1.00 49.58 ? 604 HOH A O 1 HETATM 12551 O O . HOH XA 6 . ? 0.041 33.049 -20.540 1.00 49.77 ? 605 HOH A O 1 HETATM 12552 O O . HOH XA 6 . ? -14.919 26.806 -56.291 1.00 46.24 ? 606 HOH A O 1 HETATM 12553 O O . HOH XA 6 . ? 1.341 32.817 -44.572 1.00 37.07 ? 607 HOH A O 1 HETATM 12554 O O . HOH XA 6 . ? -8.469 45.340 -29.852 1.00 41.37 ? 608 HOH A O 1 HETATM 12555 O O . HOH XA 6 . ? -15.677 36.660 -59.003 1.00 43.13 ? 609 HOH A O 1 HETATM 12556 O O . HOH XA 6 . ? 2.583 51.729 -20.663 1.00 53.61 ? 610 HOH A O 1 HETATM 12557 O O . HOH XA 6 . ? 2.816 54.975 -37.682 1.00 37.57 ? 611 HOH A O 1 HETATM 12558 O O . HOH XA 6 . ? -18.649 44.375 -65.073 1.00 51.74 ? 612 HOH A O 1 HETATM 12559 O O . HOH XA 6 . ? -3.793 32.651 -38.253 1.00 41.12 ? 613 HOH A O 1 HETATM 12560 O O . HOH XA 6 . ? -26.798 29.771 -41.180 1.00 42.41 ? 614 HOH A O 1 HETATM 12561 O O . HOH XA 6 . ? -32.642 12.759 -38.948 1.00 58.58 ? 615 HOH A O 1 HETATM 12562 O O . HOH XA 6 . ? -10.187 38.030 -40.241 1.00 33.12 ? 616 HOH A O 1 HETATM 12563 O O . HOH XA 6 . ? 12.961 38.370 -24.036 1.00 56.85 ? 617 HOH A O 1 HETATM 12564 O O . HOH XA 6 . ? 0.792 43.867 -52.499 1.00 49.82 ? 618 HOH A O 1 HETATM 12565 O O . HOH XA 6 . ? -3.183 40.243 -21.652 1.00 48.39 ? 619 HOH A O 1 HETATM 12566 O O . HOH XA 6 . ? -6.500 49.878 -22.523 1.00 45.54 ? 620 HOH A O 1 HETATM 12567 O O . HOH XA 6 . ? -8.639 43.616 -34.405 1.00 42.71 ? 621 HOH A O 1 HETATM 12568 O O . HOH XA 6 . ? -19.420 47.669 -57.144 1.00 40.79 ? 622 HOH A O 1 HETATM 12569 O O . HOH XA 6 . ? -9.266 38.531 -58.021 1.00 46.93 ? 623 HOH A O 1 HETATM 12570 O O . HOH XA 6 . ? -25.961 46.113 -43.939 1.00 53.53 ? 624 HOH A O 1 HETATM 12571 O O . HOH XA 6 . ? -9.873 38.302 -25.375 1.00 38.76 ? 625 HOH A O 1 HETATM 12572 O O . HOH XA 6 . ? 4.960 48.327 -33.607 1.00 36.69 ? 626 HOH A O 1 HETATM 12573 O O . HOH XA 6 . ? -23.590 24.418 -36.432 1.00 42.84 ? 627 HOH A O 1 HETATM 12574 O O . HOH XA 6 . ? -20.951 41.743 -42.783 1.00 43.90 ? 628 HOH A O 1 HETATM 12575 O O . HOH XA 6 . ? 1.030 32.378 -38.893 1.00 33.91 ? 629 HOH A O 1 HETATM 12576 O O . HOH XA 6 . ? 0.218 28.694 -42.861 1.00 47.58 ? 630 HOH A O 1 HETATM 12577 O O . HOH XA 6 . ? -20.212 39.195 -41.640 1.00 43.49 ? 631 HOH A O 1 HETATM 12578 O O . HOH XA 6 . ? -1.379 18.513 -45.670 1.00 46.15 ? 632 HOH A O 1 HETATM 12579 O O . HOH XA 6 . ? -19.579 51.363 -58.725 1.00 53.23 ? 633 HOH A O 1 HETATM 12580 O O . HOH XA 6 . ? -6.673 37.767 -15.402 1.00 46.85 ? 634 HOH A O 1 HETATM 12581 O O . HOH XA 6 . ? -20.030 35.086 -51.821 1.00 43.74 ? 635 HOH A O 1 HETATM 12582 O O . HOH XA 6 . ? -25.426 38.958 -45.425 1.00 44.40 ? 636 HOH A O 1 HETATM 12583 O O . HOH XA 6 . ? -8.235 36.366 -31.908 1.00 35.11 ? 637 HOH A O 1 HETATM 12584 O O . HOH XA 6 . ? -3.741 41.725 -29.178 1.00 39.92 ? 638 HOH A O 1 HETATM 12585 O O . HOH XA 6 . ? -7.485 49.443 -48.231 1.00 35.81 ? 639 HOH A O 1 HETATM 12586 O O . HOH XA 6 . ? -10.931 56.341 -44.402 1.00 56.15 ? 640 HOH A O 1 HETATM 12587 O O . HOH XA 6 . ? -10.809 51.693 -49.836 1.00 39.55 ? 641 HOH A O 1 HETATM 12588 O O . HOH XA 6 . ? -9.403 30.005 -15.944 1.00 47.31 ? 642 HOH A O 1 HETATM 12589 O O . HOH XA 6 . ? 3.708 21.463 -44.096 1.00 42.19 ? 643 HOH A O 1 HETATM 12590 O O . HOH XA 6 . ? -3.837 35.163 -41.624 1.00 39.15 ? 644 HOH A O 1 HETATM 12591 O O . HOH XA 6 . ? -13.509 42.539 -24.716 1.00 54.62 ? 645 HOH A O 1 HETATM 12592 O O . HOH XA 6 . ? 8.550 28.141 -36.434 1.00 41.83 ? 646 HOH A O 1 HETATM 12593 O O . HOH XA 6 . ? -22.266 30.208 -47.077 1.00 39.04 ? 647 HOH A O 1 HETATM 12594 O O . HOH XA 6 . ? 1.747 35.403 -22.089 1.00 50.70 ? 648 HOH A O 1 HETATM 12595 O O . HOH XA 6 . ? 6.528 26.272 -29.466 1.00 53.07 ? 649 HOH A O 1 HETATM 12596 O O . HOH XA 6 . ? -13.242 14.806 -54.164 1.00 39.96 ? 650 HOH A O 1 HETATM 12597 O O . HOH XA 6 . ? 10.299 33.464 -28.287 1.00 52.13 ? 651 HOH A O 1 HETATM 12598 O O . HOH XA 6 . ? -7.348 23.568 -52.295 1.00 41.77 ? 652 HOH A O 1 HETATM 12599 O O . HOH XA 6 . ? -28.180 12.295 -44.837 1.00 48.39 ? 653 HOH A O 1 HETATM 12600 O O . HOH XA 6 . ? -15.417 44.899 -30.524 1.00 43.43 ? 654 HOH A O 1 HETATM 12601 O O . HOH XA 6 . ? -20.045 42.270 -45.367 1.00 34.15 ? 655 HOH A O 1 HETATM 12602 O O . HOH XA 6 . ? -4.430 40.279 -24.258 1.00 44.00 ? 656 HOH A O 1 HETATM 12603 O O . HOH XA 6 . ? -17.689 24.598 -49.658 1.00 47.18 ? 657 HOH A O 1 HETATM 12604 O O . HOH XA 6 . ? -21.231 46.782 -58.949 1.00 40.72 ? 658 HOH A O 1 HETATM 12605 O O . HOH XA 6 . ? -0.091 29.097 -45.592 1.00 47.45 ? 659 HOH A O 1 HETATM 12606 O O . HOH XA 6 . ? -19.862 49.562 -61.032 1.00 57.83 ? 660 HOH A O 1 HETATM 12607 O O . HOH XA 6 . ? -17.718 40.858 -35.417 1.00 52.61 ? 661 HOH A O 1 HETATM 12608 O O . HOH XA 6 . ? -1.458 35.554 -32.887 1.00 36.68 ? 662 HOH A O 1 HETATM 12609 O O . HOH XA 6 . ? -16.488 44.921 -16.772 1.00 54.88 ? 663 HOH A O 1 HETATM 12610 O O . HOH XA 6 . ? -4.021 27.224 -37.063 1.00 40.24 ? 664 HOH A O 1 HETATM 12611 O O . HOH XA 6 . ? 9.939 30.203 -35.871 1.00 47.71 ? 665 HOH A O 1 HETATM 12612 O O . HOH XA 6 . ? 8.047 52.065 -33.130 1.00 46.24 ? 666 HOH A O 1 HETATM 12613 O O . HOH XA 6 . ? -8.760 12.016 -32.735 1.00 53.50 ? 667 HOH A O 1 HETATM 12614 O O . HOH XA 6 . ? -10.409 53.028 -42.233 1.00 41.61 ? 668 HOH A O 1 HETATM 12615 O O . HOH XA 6 . ? -19.584 49.715 -39.276 1.00 46.05 ? 669 HOH A O 1 HETATM 12616 O O . HOH XA 6 . ? -16.370 58.949 -45.103 1.00 39.20 ? 670 HOH A O 1 HETATM 12617 O O . HOH XA 6 . ? -3.949 44.375 -50.218 1.00 47.26 ? 671 HOH A O 1 HETATM 12618 O O . HOH XA 6 . ? -14.828 43.755 -61.969 1.00 40.15 ? 672 HOH A O 1 HETATM 12619 O O . HOH XA 6 . ? 1.609 26.423 -43.379 1.00 41.13 ? 673 HOH A O 1 HETATM 12620 O O . HOH XA 6 . ? 3.240 55.814 -35.263 1.00 43.74 ? 674 HOH A O 1 HETATM 12621 O O . HOH XA 6 . ? -29.878 28.743 -39.717 1.00 58.69 ? 675 HOH A O 1 HETATM 12622 O O . HOH XA 6 . ? 0.267 57.679 -44.366 1.00 43.71 ? 676 HOH A O 1 HETATM 12623 O O . HOH XA 6 . ? 12.688 52.579 -37.027 1.00 55.26 ? 677 HOH A O 1 HETATM 12624 O O . HOH XA 6 . ? -30.329 26.491 -37.762 1.00 46.07 ? 678 HOH A O 1 HETATM 12625 O O . HOH XA 6 . ? -5.049 47.923 -21.644 1.00 55.92 ? 679 HOH A O 1 HETATM 12626 O O . HOH XA 6 . ? -17.644 51.351 -40.043 1.00 52.45 ? 680 HOH A O 1 HETATM 12627 O O . HOH XA 6 . ? -13.737 17.169 -55.325 1.00 33.33 ? 681 HOH A O 1 HETATM 12628 O O . HOH XA 6 . ? -14.482 31.171 -33.840 1.00 49.79 ? 682 HOH A O 1 HETATM 12629 O O . HOH XA 6 . ? 12.975 32.081 -32.292 1.00 46.46 ? 683 HOH A O 1 HETATM 12630 O O . HOH XA 6 . ? -25.649 38.339 -38.293 1.00 58.40 ? 684 HOH A O 1 HETATM 12631 O O . HOH XA 6 . ? -10.739 29.557 -34.175 1.00 40.52 ? 685 HOH A O 1 HETATM 12632 O O . HOH XA 6 . ? -4.058 19.225 -45.118 1.00 40.57 ? 686 HOH A O 1 HETATM 12633 O O . HOH XA 6 . ? -0.755 47.379 -52.370 1.00 53.00 ? 687 HOH A O 1 HETATM 12634 O O . HOH XA 6 . ? -20.701 42.636 -40.146 1.00 45.58 ? 688 HOH A O 1 HETATM 12635 O O . HOH XA 6 . ? -3.414 23.932 -54.395 1.00 49.07 ? 689 HOH A O 1 HETATM 12636 O O . HOH XA 6 . ? -25.739 28.796 -45.218 1.00 49.78 ? 690 HOH A O 1 HETATM 12637 O O . HOH XA 6 . ? 0.026 28.984 -54.803 1.00 47.01 ? 691 HOH A O 1 HETATM 12638 O O . HOH XA 6 . ? -5.104 53.152 -26.293 1.00 69.30 ? 692 HOH A O 1 HETATM 12639 O O . HOH XA 6 . ? -26.874 30.651 -43.940 1.00 45.35 ? 693 HOH A O 1 HETATM 12640 O O . HOH XA 6 . ? -7.401 43.755 -31.932 1.00 43.63 ? 694 HOH A O 1 HETATM 12641 O O . HOH XA 6 . ? -5.922 20.925 -17.810 1.00 50.90 ? 695 HOH A O 1 HETATM 12642 O O . HOH XA 6 . ? -4.693 55.484 -24.934 1.00 51.22 ? 696 HOH A O 1 HETATM 12643 O O . HOH XA 6 . ? -7.174 58.252 -16.257 1.00 64.38 ? 697 HOH A O 1 HETATM 12644 O O . HOH XA 6 . ? -7.765 58.586 -18.654 1.00 60.66 ? 698 HOH A O 1 HETATM 12645 O O . HOH YA 6 . ? 25.248 57.566 -89.779 1.00 63.63 ? 601 HOH B O 1 HETATM 12646 O O . HOH YA 6 . ? 6.125 19.657 -90.316 1.00 59.03 ? 602 HOH B O 1 HETATM 12647 O O . HOH YA 6 . ? -15.137 48.468 -67.069 1.00 50.31 ? 603 HOH B O 1 HETATM 12648 O O . HOH YA 6 . ? 26.428 59.117 -88.405 1.00 62.54 ? 604 HOH B O 1 HETATM 12649 O O . HOH YA 6 . ? -4.433 43.913 -89.338 1.00 43.83 ? 605 HOH B O 1 HETATM 12650 O O . HOH YA 6 . ? -10.292 50.478 -90.750 1.00 42.16 ? 606 HOH B O 1 HETATM 12651 O O . HOH YA 6 . ? -2.520 31.244 -112.158 1.00 56.20 ? 607 HOH B O 1 HETATM 12652 O O . HOH YA 6 . ? -8.692 40.816 -106.901 1.00 52.84 ? 608 HOH B O 1 HETATM 12653 O O . HOH YA 6 . ? -22.672 34.352 -105.037 1.00 51.38 ? 609 HOH B O 1 HETATM 12654 O O . HOH YA 6 . ? -15.493 38.481 -102.371 1.00 39.85 ? 610 HOH B O 1 HETATM 12655 O O . HOH YA 6 . ? -4.766 39.651 -74.425 1.00 43.74 ? 611 HOH B O 1 HETATM 12656 O O . HOH YA 6 . ? 13.853 29.659 -107.763 1.00 53.29 ? 612 HOH B O 1 HETATM 12657 O O . HOH YA 6 . ? -1.786 29.646 -88.076 1.00 43.00 ? 613 HOH B O 1 HETATM 12658 O O . HOH YA 6 . ? -17.614 56.013 -88.160 1.00 51.64 ? 614 HOH B O 1 HETATM 12659 O O . HOH YA 6 . ? -0.888 41.067 -116.479 1.00 49.06 ? 615 HOH B O 1 HETATM 12660 O O . HOH YA 6 . ? -21.641 40.217 -82.438 1.00 40.41 ? 616 HOH B O 1 HETATM 12661 O O . HOH YA 6 . ? 14.686 45.643 -78.591 1.00 38.97 ? 617 HOH B O 1 HETATM 12662 O O . HOH YA 6 . ? -23.029 40.016 -90.098 1.00 35.48 ? 618 HOH B O 1 HETATM 12663 O O . HOH YA 6 . ? -1.722 30.093 -93.701 1.00 31.99 ? 619 HOH B O 1 HETATM 12664 O O . HOH YA 6 . ? -13.702 38.686 -97.932 1.00 42.78 ? 620 HOH B O 1 HETATM 12665 O O . HOH YA 6 . ? -23.871 26.324 -94.408 1.00 37.09 ? 621 HOH B O 1 HETATM 12666 O O . HOH YA 6 . ? -2.406 35.061 -94.344 1.00 41.26 ? 622 HOH B O 1 HETATM 12667 O O . HOH YA 6 . ? 3.908 55.761 -95.862 1.00 39.87 ? 623 HOH B O 1 HETATM 12668 O O . HOH YA 6 . ? -21.958 48.806 -73.386 1.00 51.90 ? 624 HOH B O 1 HETATM 12669 O O . HOH YA 6 . ? 12.153 33.841 -87.230 1.00 42.55 ? 625 HOH B O 1 HETATM 12670 O O . HOH YA 6 . ? -10.435 55.874 -86.442 1.00 48.12 ? 626 HOH B O 1 HETATM 12671 O O . HOH YA 6 . ? -6.000 50.775 -80.450 1.00 34.39 ? 627 HOH B O 1 HETATM 12672 O O . HOH YA 6 . ? -22.076 24.306 -93.507 1.00 44.71 ? 628 HOH B O 1 HETATM 12673 O O . HOH YA 6 . ? -8.113 40.915 -92.147 1.00 36.65 ? 629 HOH B O 1 HETATM 12674 O O . HOH YA 6 . ? -11.499 58.114 -82.134 1.00 50.47 ? 630 HOH B O 1 HETATM 12675 O O . HOH YA 6 . ? -1.783 23.838 -101.331 1.00 43.21 ? 631 HOH B O 1 HETATM 12676 O O . HOH YA 6 . ? -18.280 49.066 -75.047 1.00 41.96 ? 632 HOH B O 1 HETATM 12677 O O . HOH YA 6 . ? -20.011 56.876 -81.498 1.00 51.44 ? 633 HOH B O 1 HETATM 12678 O O . HOH YA 6 . ? -10.125 33.928 -110.765 1.00 46.85 ? 634 HOH B O 1 HETATM 12679 O O . HOH YA 6 . ? -16.444 25.248 -116.418 1.00 59.12 ? 635 HOH B O 1 HETATM 12680 O O . HOH YA 6 . ? -17.699 34.854 -110.840 1.00 45.91 ? 636 HOH B O 1 HETATM 12681 O O . HOH YA 6 . ? 3.242 23.206 -96.312 1.00 41.78 ? 637 HOH B O 1 HETATM 12682 O O . HOH YA 6 . ? -5.188 32.488 -99.685 1.00 34.26 ? 638 HOH B O 1 HETATM 12683 O O . HOH YA 6 . ? -27.605 28.410 -94.562 1.00 54.60 ? 639 HOH B O 1 HETATM 12684 O O . HOH YA 6 . ? -11.384 34.226 -103.250 1.00 38.34 ? 640 HOH B O 1 HETATM 12685 O O . HOH YA 6 . ? -12.492 51.335 -89.415 1.00 44.45 ? 641 HOH B O 1 HETATM 12686 O O . HOH YA 6 . ? -13.585 33.907 -81.793 1.00 50.73 ? 642 HOH B O 1 HETATM 12687 O O . HOH YA 6 . ? -17.046 24.807 -98.703 1.00 39.66 ? 643 HOH B O 1 HETATM 12688 O O . HOH YA 6 . ? -15.981 39.600 -112.904 1.00 40.87 ? 644 HOH B O 1 HETATM 12689 O O . HOH YA 6 . ? -20.161 49.348 -71.208 1.00 57.93 ? 645 HOH B O 1 HETATM 12690 O O . HOH YA 6 . ? -0.215 18.452 -100.180 1.00 54.14 ? 646 HOH B O 1 HETATM 12691 O O . HOH YA 6 . ? -2.062 20.941 -104.413 1.00 45.60 ? 647 HOH B O 1 HETATM 12692 O O . HOH YA 6 . ? -1.466 53.592 -85.090 1.00 45.57 ? 648 HOH B O 1 HETATM 12693 O O . HOH YA 6 . ? -4.680 34.960 -90.793 1.00 38.39 ? 649 HOH B O 1 HETATM 12694 O O . HOH YA 6 . ? -13.856 44.814 -70.405 1.00 44.72 ? 650 HOH B O 1 HETATM 12695 O O . HOH YA 6 . ? -28.107 46.845 -74.698 1.00 48.01 ? 651 HOH B O 1 HETATM 12696 O O . HOH YA 6 . ? 9.810 28.587 -88.943 1.00 40.83 ? 652 HOH B O 1 HETATM 12697 O O . HOH YA 6 . ? -8.190 37.568 -116.927 1.00 53.40 ? 653 HOH B O 1 HETATM 12698 O O . HOH YA 6 . ? -7.247 46.501 -73.278 1.00 42.33 ? 654 HOH B O 1 HETATM 12699 O O . HOH YA 6 . ? 6.666 39.312 -80.299 1.00 43.00 ? 655 HOH B O 1 HETATM 12700 O O . HOH YA 6 . ? -6.641 39.194 -100.546 1.00 35.94 ? 656 HOH B O 1 HETATM 12701 O O . HOH YA 6 . ? -19.201 37.008 -84.007 1.00 36.33 ? 657 HOH B O 1 HETATM 12702 O O . HOH YA 6 . ? 0.322 44.769 -99.409 1.00 49.73 ? 658 HOH B O 1 HETATM 12703 O O . HOH YA 6 . ? 2.983 35.837 -95.624 1.00 40.16 ? 659 HOH B O 1 HETATM 12704 O O . HOH YA 6 . ? -26.512 28.639 -88.062 1.00 53.50 ? 660 HOH B O 1 HETATM 12705 O O . HOH YA 6 . ? -6.648 17.727 -108.900 1.00 63.13 ? 661 HOH B O 1 HETATM 12706 O O . HOH YA 6 . ? -24.591 25.884 -96.971 1.00 44.68 ? 662 HOH B O 1 HETATM 12707 O O . HOH YA 6 . ? -13.115 50.168 -86.811 1.00 40.16 ? 663 HOH B O 1 HETATM 12708 O O . HOH YA 6 . ? 1.749 31.445 -87.075 1.00 51.93 ? 664 HOH B O 1 HETATM 12709 O O . HOH YA 6 . ? 2.148 31.123 -89.907 1.00 49.77 ? 665 HOH B O 1 HETATM 12710 O O . HOH YA 6 . ? 5.022 46.543 -107.635 1.00 45.82 ? 666 HOH B O 1 HETATM 12711 O O . HOH YA 6 . ? -29.610 45.263 -86.971 1.00 41.89 ? 667 HOH B O 1 HETATM 12712 O O . HOH YA 6 . ? 4.668 30.204 -89.543 1.00 37.70 ? 668 HOH B O 1 HETATM 12713 O O . HOH YA 6 . ? -17.574 25.030 -83.240 1.00 48.00 ? 669 HOH B O 1 HETATM 12714 O O . HOH YA 6 . ? -21.869 47.214 -92.076 1.00 56.96 ? 670 HOH B O 1 HETATM 12715 O O . HOH YA 6 . ? 6.709 35.047 -78.506 1.00 40.65 ? 671 HOH B O 1 HETATM 12716 O O . HOH YA 6 . ? -6.368 36.050 -73.977 1.00 45.86 ? 672 HOH B O 1 HETATM 12717 O O . HOH YA 6 . ? -11.581 48.107 -96.544 1.00 50.25 ? 673 HOH B O 1 HETATM 12718 O O . HOH YA 6 . ? 21.793 76.051 -82.834 1.00 56.71 ? 674 HOH B O 1 HETATM 12719 O O . HOH YA 6 . ? 12.296 46.015 -77.278 1.00 35.04 ? 675 HOH B O 1 HETATM 12720 O O . HOH YA 6 . ? 0.087 42.297 -98.399 1.00 40.12 ? 676 HOH B O 1 HETATM 12721 O O . HOH YA 6 . ? -20.542 49.216 -92.899 1.00 48.37 ? 677 HOH B O 1 HETATM 12722 O O . HOH YA 6 . ? -20.744 16.877 -95.389 1.00 48.27 ? 678 HOH B O 1 HETATM 12723 O O . HOH YA 6 . ? -7.546 57.392 -92.346 1.00 58.63 ? 679 HOH B O 1 HETATM 12724 O O . HOH YA 6 . ? 4.030 38.704 -78.677 1.00 52.04 ? 680 HOH B O 1 HETATM 12725 O O . HOH YA 6 . ? -10.351 34.997 -108.196 1.00 41.54 ? 681 HOH B O 1 HETATM 12726 O O . HOH YA 6 . ? -16.203 30.639 -79.928 1.00 47.37 ? 682 HOH B O 1 HETATM 12727 O O . HOH YA 6 . ? -13.734 37.941 -100.509 1.00 44.72 ? 683 HOH B O 1 HETATM 12728 O O . HOH YA 6 . ? 11.248 36.385 -87.739 1.00 40.76 ? 684 HOH B O 1 HETATM 12729 O O . HOH YA 6 . ? -0.188 57.300 -86.864 1.00 51.16 ? 685 HOH B O 1 HETATM 12730 O O . HOH YA 6 . ? -3.955 15.609 -86.015 1.00 56.77 ? 686 HOH B O 1 HETATM 12731 O O . HOH YA 6 . ? 1.987 31.564 -110.099 1.00 55.87 ? 687 HOH B O 1 HETATM 12732 O O . HOH YA 6 . ? 0.302 29.802 -109.650 1.00 59.53 ? 688 HOH B O 1 HETATM 12733 O O . HOH YA 6 . ? -7.064 16.369 -106.859 1.00 64.17 ? 689 HOH B O 1 HETATM 12734 O O . HOH YA 6 . ? -19.418 18.932 -114.713 1.00 60.33 ? 690 HOH B O 1 HETATM 12735 O O . HOH YA 6 . ? -10.468 33.105 -105.913 1.00 45.99 ? 691 HOH B O 1 HETATM 12736 O O . HOH YA 6 . ? -10.518 34.075 -121.086 1.00 54.70 ? 692 HOH B O 1 HETATM 12737 O O . HOH YA 6 . ? 6.299 26.700 -107.529 1.00 61.83 ? 693 HOH B O 1 HETATM 12738 O O . HOH YA 6 . ? -19.069 20.165 -116.596 1.00 67.03 ? 694 HOH B O 1 HETATM 12739 O O . HOH ZA 6 . ? 30.974 56.888 -74.033 1.00 45.87 ? 601 HOH C O 1 HETATM 12740 O O . HOH ZA 6 . ? 17.614 50.725 -68.095 1.00 36.75 ? 602 HOH C O 1 HETATM 12741 O O . HOH ZA 6 . ? 2.427 61.867 -46.987 1.00 44.08 ? 603 HOH C O 1 HETATM 12742 O O . HOH ZA 6 . ? 15.722 53.888 -64.516 1.00 47.20 ? 604 HOH C O 1 HETATM 12743 O O . HOH ZA 6 . ? -6.523 57.150 -65.973 1.00 44.90 ? 605 HOH C O 1 HETATM 12744 O O . HOH ZA 6 . ? 15.664 59.982 -82.729 1.00 36.25 ? 606 HOH C O 1 HETATM 12745 O O . HOH ZA 6 . ? 2.778 46.571 -75.978 1.00 48.36 ? 607 HOH C O 1 HETATM 12746 O O . HOH ZA 6 . ? 1.719 62.563 -58.679 1.00 36.52 ? 608 HOH C O 1 HETATM 12747 O O . HOH ZA 6 . ? 13.480 66.488 -38.037 1.00 51.69 ? 609 HOH C O 1 HETATM 12748 O O . HOH ZA 6 . ? 18.498 68.686 -64.971 1.00 35.39 ? 610 HOH C O 1 HETATM 12749 O O . HOH ZA 6 . ? 14.233 46.664 -68.456 1.00 48.68 ? 611 HOH C O 1 HETATM 12750 O O . HOH ZA 6 . ? 21.062 40.911 -79.600 1.00 58.44 ? 612 HOH C O 1 HETATM 12751 O O . HOH ZA 6 . ? 10.199 61.356 -45.410 1.00 36.88 ? 613 HOH C O 1 HETATM 12752 O O . HOH ZA 6 . ? 12.782 68.043 -71.237 1.00 34.62 ? 614 HOH C O 1 HETATM 12753 O O . HOH ZA 6 . ? 16.642 46.627 -64.451 1.00 40.79 ? 615 HOH C O 1 HETATM 12754 O O . HOH ZA 6 . ? 9.342 71.085 -66.072 1.00 46.76 ? 616 HOH C O 1 HETATM 12755 O O . HOH ZA 6 . ? 19.232 57.945 -68.835 1.00 41.59 ? 617 HOH C O 1 HETATM 12756 O O . HOH ZA 6 . ? -5.124 57.885 -74.142 1.00 40.77 ? 618 HOH C O 1 HETATM 12757 O O . HOH ZA 6 . ? 8.399 58.019 -64.362 1.00 37.40 ? 619 HOH C O 1 HETATM 12758 O O . HOH ZA 6 . ? -6.799 46.626 -59.794 1.00 42.52 ? 620 HOH C O 1 HETATM 12759 O O . HOH ZA 6 . ? 25.570 46.577 -69.489 1.00 36.40 ? 621 HOH C O 1 HETATM 12760 O O . HOH ZA 6 . ? -1.593 43.068 -63.147 1.00 39.70 ? 622 HOH C O 1 HETATM 12761 O O . HOH ZA 6 . ? -14.591 53.876 -63.231 1.00 47.55 ? 623 HOH C O 1 HETATM 12762 O O . HOH ZA 6 . ? 29.651 64.252 -67.903 1.00 55.78 ? 624 HOH C O 1 HETATM 12763 O O . HOH ZA 6 . ? 13.588 78.175 -64.168 1.00 44.49 ? 625 HOH C O 1 HETATM 12764 O O . HOH ZA 6 . ? 9.737 59.062 -30.798 1.00 42.57 ? 626 HOH C O 1 HETATM 12765 O O . HOH ZA 6 . ? -3.276 53.343 -55.630 1.00 41.54 ? 627 HOH C O 1 HETATM 12766 O O . HOH ZA 6 . ? -3.791 62.262 -54.879 1.00 51.48 ? 628 HOH C O 1 HETATM 12767 O O . HOH ZA 6 . ? 5.834 55.294 -34.283 1.00 48.16 ? 629 HOH C O 1 HETATM 12768 O O . HOH ZA 6 . ? -16.250 47.140 -63.120 1.00 52.26 ? 630 HOH C O 1 HETATM 12769 O O . HOH ZA 6 . ? 9.710 37.853 -58.292 1.00 42.04 ? 631 HOH C O 1 HETATM 12770 O O . HOH ZA 6 . ? 19.590 76.208 -70.878 1.00 47.89 ? 632 HOH C O 1 HETATM 12771 O O . HOH ZA 6 . ? 8.711 39.071 -44.873 1.00 38.55 ? 633 HOH C O 1 HETATM 12772 O O . HOH ZA 6 . ? 12.181 60.716 -35.476 1.00 52.05 ? 634 HOH C O 1 HETATM 12773 O O . HOH ZA 6 . ? 19.097 40.547 -55.737 1.00 38.41 ? 635 HOH C O 1 HETATM 12774 O O . HOH ZA 6 . ? 16.624 74.474 -75.875 1.00 46.16 ? 636 HOH C O 1 HETATM 12775 O O . HOH ZA 6 . ? -0.932 63.205 -59.682 1.00 39.88 ? 637 HOH C O 1 HETATM 12776 O O . HOH ZA 6 . ? 21.240 40.312 -61.174 1.00 37.46 ? 638 HOH C O 1 HETATM 12777 O O . HOH ZA 6 . ? -13.058 63.987 -60.330 1.00 45.00 ? 639 HOH C O 1 HETATM 12778 O O . HOH ZA 6 . ? 0.963 55.547 -50.345 1.00 36.73 ? 640 HOH C O 1 HETATM 12779 O O . HOH ZA 6 . ? 19.230 73.529 -75.676 1.00 47.59 ? 641 HOH C O 1 HETATM 12780 O O . HOH ZA 6 . ? -12.692 54.825 -65.202 1.00 43.43 ? 642 HOH C O 1 HETATM 12781 O O . HOH ZA 6 . ? 8.884 41.340 -55.427 1.00 45.47 ? 643 HOH C O 1 HETATM 12782 O O . HOH ZA 6 . ? 8.611 61.315 -86.054 1.00 41.12 ? 644 HOH C O 1 HETATM 12783 O O . HOH ZA 6 . ? -2.592 61.208 -60.830 1.00 39.45 ? 645 HOH C O 1 HETATM 12784 O O . HOH ZA 6 . ? 23.578 68.869 -71.219 1.00 42.03 ? 646 HOH C O 1 HETATM 12785 O O . HOH ZA 6 . ? 10.387 64.202 -69.804 1.00 42.15 ? 647 HOH C O 1 HETATM 12786 O O . HOH ZA 6 . ? -1.308 56.358 -74.795 1.00 38.48 ? 648 HOH C O 1 HETATM 12787 O O . HOH ZA 6 . ? -18.070 57.674 -57.458 1.00 43.28 ? 649 HOH C O 1 HETATM 12788 O O . HOH ZA 6 . ? 17.770 64.517 -71.630 1.00 36.57 ? 650 HOH C O 1 HETATM 12789 O O . HOH ZA 6 . ? 2.429 67.750 -69.180 1.00 48.99 ? 651 HOH C O 1 HETATM 12790 O O . HOH ZA 6 . ? 6.705 55.434 -59.643 1.00 48.47 ? 652 HOH C O 1 HETATM 12791 O O . HOH ZA 6 . ? 12.307 52.390 -66.461 1.00 39.11 ? 653 HOH C O 1 HETATM 12792 O O . HOH ZA 6 . ? 25.361 35.463 -55.101 1.00 72.83 ? 654 HOH C O 1 HETATM 12793 O O . HOH ZA 6 . ? 10.065 59.107 -86.395 1.00 41.92 ? 655 HOH C O 1 HETATM 12794 O O . HOH ZA 6 . ? -11.541 47.285 -65.485 1.00 42.33 ? 656 HOH C O 1 HETATM 12795 O O . HOH ZA 6 . ? -3.261 45.047 -65.637 1.00 44.70 ? 657 HOH C O 1 HETATM 12796 O O . HOH ZA 6 . ? -17.207 58.747 -73.315 1.00 42.31 ? 658 HOH C O 1 HETATM 12797 O O . HOH ZA 6 . ? 19.301 52.070 -60.546 1.00 49.59 ? 659 HOH C O 1 HETATM 12798 O O . HOH ZA 6 . ? 13.865 61.221 -56.393 1.00 47.30 ? 660 HOH C O 1 HETATM 12799 O O . HOH ZA 6 . ? 27.275 74.029 -67.157 1.00 44.73 ? 661 HOH C O 1 HETATM 12800 O O . HOH ZA 6 . ? 28.662 48.940 -75.472 1.00 48.80 ? 662 HOH C O 1 HETATM 12801 O O . HOH ZA 6 . ? -5.363 63.510 -53.641 1.00 45.33 ? 663 HOH C O 1 HETATM 12802 O O . HOH ZA 6 . ? 22.725 38.435 -68.084 1.00 53.35 ? 664 HOH C O 1 HETATM 12803 O O . HOH ZA 6 . ? 15.140 56.284 -90.986 1.00 47.40 ? 665 HOH C O 1 HETATM 12804 O O . HOH ZA 6 . ? 14.557 63.392 -71.200 1.00 54.05 ? 666 HOH C O 1 HETATM 12805 O O . HOH ZA 6 . ? 23.915 53.105 -79.420 1.00 57.37 ? 667 HOH C O 1 HETATM 12806 O O . HOH ZA 6 . ? 6.148 64.599 -86.650 1.00 52.72 ? 668 HOH C O 1 HETATM 12807 O O . HOH ZA 6 . ? -0.548 63.850 -75.339 1.00 38.06 ? 669 HOH C O 1 HETATM 12808 O O . HOH ZA 6 . ? 14.582 44.795 -64.607 1.00 45.10 ? 670 HOH C O 1 HETATM 12809 O O . HOH ZA 6 . ? 28.656 71.906 -81.964 1.00 57.89 ? 671 HOH C O 1 HETATM 12810 O O . HOH ZA 6 . ? -9.325 60.901 -53.408 1.00 39.67 ? 672 HOH C O 1 HETATM 12811 O O . HOH ZA 6 . ? 1.739 50.751 -73.463 1.00 43.34 ? 673 HOH C O 1 HETATM 12812 O O . HOH ZA 6 . ? 26.275 53.196 -72.644 1.00 50.71 ? 674 HOH C O 1 HETATM 12813 O O . HOH ZA 6 . ? 1.323 59.373 -86.077 1.00 50.54 ? 675 HOH C O 1 HETATM 12814 O O . HOH ZA 6 . ? 12.637 79.760 -65.784 1.00 47.36 ? 676 HOH C O 1 HETATM 12815 O O . HOH ZA 6 . ? 21.114 67.772 -70.482 1.00 35.74 ? 677 HOH C O 1 HETATM 12816 O O . HOH ZA 6 . ? -0.198 67.510 -63.120 1.00 53.12 ? 678 HOH C O 1 HETATM 12817 O O . HOH ZA 6 . ? 5.268 64.711 -42.307 1.00 52.87 ? 679 HOH C O 1 HETATM 12818 O O . HOH ZA 6 . ? 6.023 41.390 -57.809 1.00 52.41 ? 680 HOH C O 1 HETATM 12819 O O . HOH ZA 6 . ? 28.586 63.859 -70.513 1.00 48.53 ? 681 HOH C O 1 HETATM 12820 O O . HOH ZA 6 . ? 17.661 42.576 -54.367 1.00 48.61 ? 682 HOH C O 1 HETATM 12821 O O . HOH ZA 6 . ? 9.908 63.477 -86.824 1.00 39.06 ? 683 HOH C O 1 HETATM 12822 O O . HOH ZA 6 . ? 6.448 39.394 -46.446 1.00 34.57 ? 684 HOH C O 1 HETATM 12823 O O . HOH ZA 6 . ? 15.926 41.771 -71.023 1.00 53.06 ? 685 HOH C O 1 HETATM 12824 O O . HOH ZA 6 . ? 7.991 38.306 -64.145 1.00 49.59 ? 686 HOH C O 1 HETATM 12825 O O . HOH ZA 6 . ? -0.228 60.643 -39.698 1.00 49.33 ? 687 HOH C O 1 HETATM 12826 O O . HOH ZA 6 . ? 32.390 57.303 -53.516 1.00 53.52 ? 688 HOH C O 1 HETATM 12827 O O . HOH ZA 6 . ? 1.182 58.068 -46.940 1.00 43.31 ? 689 HOH C O 1 HETATM 12828 O O . HOH ZA 6 . ? 18.289 44.499 -63.753 1.00 39.43 ? 690 HOH C O 1 HETATM 12829 O O . HOH ZA 6 . ? 5.694 69.852 -83.114 1.00 56.76 ? 691 HOH C O 1 HETATM 12830 O O . HOH ZA 6 . ? 16.454 58.880 -57.982 1.00 51.55 ? 692 HOH C O 1 HETATM 12831 O O . HOH ZA 6 . ? -0.837 54.106 -17.334 1.00 69.64 ? 693 HOH C O 1 HETATM 12832 O O . HOH ZA 6 . ? 8.696 36.446 -66.314 1.00 69.63 ? 694 HOH C O 1 HETATM 12833 O O . HOH ZA 6 . ? 0.462 60.284 -47.768 1.00 55.97 ? 695 HOH C O 1 HETATM 12834 O O . HOH ZA 6 . ? 12.721 65.560 -70.754 1.00 40.27 ? 696 HOH C O 1 HETATM 12835 O O . HOH ZA 6 . ? 31.015 60.983 -64.103 1.00 56.49 ? 697 HOH C O 1 HETATM 12836 O O . HOH ZA 6 . ? -11.290 62.304 -53.160 1.00 54.52 ? 698 HOH C O 1 HETATM 12837 O O . HOH ZA 6 . ? 8.325 70.845 -83.744 1.00 55.57 ? 699 HOH C O 1 HETATM 12838 O O . HOH ZA 6 . ? 31.623 61.386 -68.958 1.00 57.07 ? 700 HOH C O 1 HETATM 12839 O O . HOH ZA 6 . ? 32.716 63.269 -69.996 1.00 61.11 ? 701 HOH C O 1 HETATM 12840 O O . HOH ZA 6 . ? 30.624 60.889 -66.801 1.00 54.72 ? 702 HOH C O 1 HETATM 12841 O O . HOH ZA 6 . ? 16.723 37.093 -75.611 1.00 58.10 ? 703 HOH C O 1 HETATM 12842 O O . HOH ZA 6 . ? 20.238 65.475 -71.818 1.00 47.02 ? 704 HOH C O 1 HETATM 12843 O O . HOH ZA 6 . ? 33.293 62.707 -63.860 1.00 62.47 ? 705 HOH C O 1 HETATM 12844 O O . HOH ZA 6 . ? 18.598 36.770 -73.996 1.00 59.08 ? 706 HOH C O 1 HETATM 12845 O O . HOH AB 6 . ? 2.153 -1.482 -72.834 1.00 62.22 ? 601 HOH D O 1 HETATM 12846 O O . HOH AB 6 . ? -21.226 33.201 -63.768 1.00 53.11 ? 602 HOH D O 1 HETATM 12847 O O . HOH AB 6 . ? -42.215 10.783 -56.710 1.00 43.38 ? 603 HOH D O 1 HETATM 12848 O O . HOH AB 6 . ? -31.333 32.114 -77.265 1.00 46.99 ? 604 HOH D O 1 HETATM 12849 O O . HOH AB 6 . ? -14.347 15.537 -64.121 1.00 42.71 ? 605 HOH D O 1 HETATM 12850 O O . HOH AB 6 . ? -35.803 15.235 -61.266 1.00 39.85 ? 606 HOH D O 1 HETATM 12851 O O . HOH AB 6 . ? -35.983 9.590 -67.571 1.00 43.66 ? 607 HOH D O 1 HETATM 12852 O O . HOH AB 6 . ? -12.997 29.336 -79.699 1.00 53.16 ? 608 HOH D O 1 HETATM 12853 O O . HOH AB 6 . ? -20.079 17.197 -66.034 1.00 35.41 ? 609 HOH D O 1 HETATM 12854 O O . HOH AB 6 . ? -43.582 9.305 -81.068 1.00 51.82 ? 610 HOH D O 1 HETATM 12855 O O . HOH AB 6 . ? -25.678 44.588 -64.126 1.00 56.75 ? 611 HOH D O 1 HETATM 12856 O O . HOH AB 6 . ? -40.763 0.645 -65.898 1.00 47.44 ? 612 HOH D O 1 HETATM 12857 O O . HOH AB 6 . ? -29.412 18.353 -86.935 1.00 38.40 ? 613 HOH D O 1 HETATM 12858 O O . HOH AB 6 . ? -36.046 25.767 -62.941 1.00 46.55 ? 614 HOH D O 1 HETATM 12859 O O . HOH AB 6 . ? -29.247 19.724 -46.492 1.00 42.49 ? 615 HOH D O 1 HETATM 12860 O O . HOH AB 6 . ? -31.458 26.799 -73.521 1.00 37.70 ? 616 HOH D O 1 HETATM 12861 O O . HOH AB 6 . ? -32.230 29.283 -72.560 1.00 41.91 ? 617 HOH D O 1 HETATM 12862 O O . HOH AB 6 . ? -26.155 20.252 -68.152 1.00 31.43 ? 618 HOH D O 1 HETATM 12863 O O . HOH AB 6 . ? -30.202 15.849 -44.440 1.00 45.07 ? 619 HOH D O 1 HETATM 12864 O O . HOH AB 6 . ? -40.640 12.461 -66.908 1.00 45.92 ? 620 HOH D O 1 HETATM 12865 O O . HOH AB 6 . ? -18.149 11.476 -64.372 1.00 31.81 ? 621 HOH D O 1 HETATM 12866 O O . HOH AB 6 . ? -8.005 11.202 -76.782 1.00 37.21 ? 622 HOH D O 1 HETATM 12867 O O . HOH AB 6 . ? -16.243 36.668 -72.496 1.00 38.96 ? 623 HOH D O 1 HETATM 12868 O O . HOH AB 6 . ? -24.817 41.812 -66.918 1.00 45.21 ? 624 HOH D O 1 HETATM 12869 O O . HOH AB 6 . ? -23.320 -2.329 -58.905 1.00 49.76 ? 625 HOH D O 1 HETATM 12870 O O . HOH AB 6 . ? -31.959 17.844 -62.608 1.00 35.33 ? 626 HOH D O 1 HETATM 12871 O O . HOH AB 6 . ? -23.860 23.447 -98.000 1.00 41.40 ? 627 HOH D O 1 HETATM 12872 O O . HOH AB 6 . ? -13.425 4.048 -63.034 1.00 40.12 ? 628 HOH D O 1 HETATM 12873 O O . HOH AB 6 . ? -7.606 9.100 -71.478 1.00 43.09 ? 629 HOH D O 1 HETATM 12874 O O . HOH AB 6 . ? -28.834 45.846 -58.725 1.00 44.15 ? 630 HOH D O 1 HETATM 12875 O O . HOH AB 6 . ? -40.855 8.369 -56.909 1.00 51.61 ? 631 HOH D O 1 HETATM 12876 O O . HOH AB 6 . ? -26.455 35.499 -66.230 1.00 46.85 ? 632 HOH D O 1 HETATM 12877 O O . HOH AB 6 . ? -7.308 21.769 -87.551 1.00 37.87 ? 633 HOH D O 1 HETATM 12878 O O . HOH AB 6 . ? -32.948 32.086 -54.299 1.00 50.79 ? 634 HOH D O 1 HETATM 12879 O O . HOH AB 6 . ? -21.539 13.355 -67.662 1.00 44.36 ? 635 HOH D O 1 HETATM 12880 O O . HOH AB 6 . ? -22.601 32.568 -76.586 1.00 38.01 ? 636 HOH D O 1 HETATM 12881 O O . HOH AB 6 . ? -38.830 18.904 -66.326 1.00 40.07 ? 637 HOH D O 1 HETATM 12882 O O . HOH AB 6 . ? -23.669 22.209 -72.660 1.00 37.40 ? 638 HOH D O 1 HETATM 12883 O O . HOH AB 6 . ? -30.425 37.130 -78.156 1.00 57.95 ? 639 HOH D O 1 HETATM 12884 O O . HOH AB 6 . ? -43.413 8.194 -61.792 1.00 45.77 ? 640 HOH D O 1 HETATM 12885 O O . HOH AB 6 . ? -14.068 12.898 -67.902 1.00 41.53 ? 641 HOH D O 1 HETATM 12886 O O . HOH AB 6 . ? -28.809 14.680 -76.112 1.00 45.56 ? 642 HOH D O 1 HETATM 12887 O O . HOH AB 6 . ? -35.939 4.392 -61.548 1.00 42.63 ? 643 HOH D O 1 HETATM 12888 O O . HOH AB 6 . ? -27.456 12.515 -49.918 1.00 41.54 ? 644 HOH D O 1 HETATM 12889 O O . HOH AB 6 . ? -29.771 12.665 -67.717 1.00 35.75 ? 645 HOH D O 1 HETATM 12890 O O . HOH AB 6 . ? -33.203 22.974 -89.890 1.00 47.33 ? 646 HOH D O 1 HETATM 12891 O O . HOH AB 6 . ? -19.432 9.962 -71.970 1.00 40.54 ? 647 HOH D O 1 HETATM 12892 O O . HOH AB 6 . ? -24.405 27.993 -81.818 1.00 33.46 ? 648 HOH D O 1 HETATM 12893 O O . HOH AB 6 . ? -36.959 36.589 -56.550 1.00 44.36 ? 649 HOH D O 1 HETATM 12894 O O . HOH AB 6 . ? -34.091 41.278 -71.582 1.00 47.02 ? 650 HOH D O 1 HETATM 12895 O O . HOH AB 6 . ? -11.038 30.927 -65.618 1.00 47.39 ? 651 HOH D O 1 HETATM 12896 O O . HOH AB 6 . ? -9.613 21.399 -77.134 1.00 46.59 ? 652 HOH D O 1 HETATM 12897 O O . HOH AB 6 . ? -32.664 28.863 -56.991 1.00 37.14 ? 653 HOH D O 1 HETATM 12898 O O . HOH AB 6 . ? -24.974 9.635 -63.897 1.00 42.07 ? 654 HOH D O 1 HETATM 12899 O O . HOH AB 6 . ? -30.299 31.028 -71.334 1.00 37.35 ? 655 HOH D O 1 HETATM 12900 O O . HOH AB 6 . ? -24.165 43.807 -68.891 1.00 46.10 ? 656 HOH D O 1 HETATM 12901 O O . HOH AB 6 . ? -20.690 21.269 -99.150 1.00 40.10 ? 657 HOH D O 1 HETATM 12902 O O . HOH AB 6 . ? -7.237 2.062 -79.798 1.00 62.60 ? 658 HOH D O 1 HETATM 12903 O O . HOH AB 6 . ? -20.084 2.596 -59.863 1.00 48.24 ? 659 HOH D O 1 HETATM 12904 O O . HOH AB 6 . ? -12.599 15.317 -67.886 1.00 42.00 ? 660 HOH D O 1 HETATM 12905 O O . HOH AB 6 . ? -26.205 12.304 -74.775 1.00 44.99 ? 661 HOH D O 1 HETATM 12906 O O . HOH AB 6 . ? -31.942 10.529 -60.797 1.00 35.80 ? 662 HOH D O 1 HETATM 12907 O O . HOH AB 6 . ? -26.907 33.991 -58.008 1.00 40.82 ? 663 HOH D O 1 HETATM 12908 O O . HOH AB 6 . ? -12.056 11.597 -68.992 1.00 42.84 ? 664 HOH D O 1 HETATM 12909 O O . HOH AB 6 . ? -25.126 30.065 -57.366 1.00 37.76 ? 665 HOH D O 1 HETATM 12910 O O . HOH AB 6 . ? -23.643 -3.698 -78.741 1.00 51.22 ? 666 HOH D O 1 HETATM 12911 O O . HOH AB 6 . ? -27.751 27.087 -46.130 1.00 42.15 ? 667 HOH D O 1 HETATM 12912 O O . HOH AB 6 . ? -19.327 27.528 -58.995 1.00 42.68 ? 668 HOH D O 1 HETATM 12913 O O . HOH AB 6 . ? -7.912 24.007 -86.070 1.00 42.86 ? 669 HOH D O 1 HETATM 12914 O O . HOH AB 6 . ? -31.165 18.254 -45.598 1.00 43.34 ? 670 HOH D O 1 HETATM 12915 O O . HOH AB 6 . ? -10.008 12.432 -78.089 1.00 48.69 ? 671 HOH D O 1 HETATM 12916 O O . HOH AB 6 . ? -35.057 30.392 -56.950 1.00 44.73 ? 672 HOH D O 1 HETATM 12917 O O . HOH AB 6 . ? -6.114 21.174 -73.955 1.00 50.58 ? 673 HOH D O 1 HETATM 12918 O O . HOH AB 6 . ? -47.280 15.164 -66.659 1.00 53.61 ? 674 HOH D O 1 HETATM 12919 O O . HOH AB 6 . ? -34.778 6.860 -62.196 1.00 38.65 ? 675 HOH D O 1 HETATM 12920 O O . HOH AB 6 . ? -29.333 3.242 -82.759 1.00 63.41 ? 676 HOH D O 1 HETATM 12921 O O . HOH AB 6 . ? -8.648 8.816 -52.765 1.00 64.58 ? 677 HOH D O 1 HETATM 12922 O O . HOH AB 6 . ? -26.746 27.793 -85.286 1.00 49.34 ? 678 HOH D O 1 HETATM 12923 O O . HOH AB 6 . ? -14.644 3.455 -60.457 1.00 57.79 ? 679 HOH D O 1 HETATM 12924 O O . HOH AB 6 . ? -37.924 29.267 -64.917 1.00 55.80 ? 680 HOH D O 1 HETATM 12925 O O . HOH AB 6 . ? -31.334 4.262 -81.647 1.00 57.36 ? 681 HOH D O 1 HETATM 12926 O O . HOH AB 6 . ? -36.597 -3.890 -52.009 1.00 59.17 ? 682 HOH D O 1 HETATM 12927 O O . HOH AB 6 . ? -33.075 15.625 -61.793 1.00 44.91 ? 683 HOH D O 1 HETATM 12928 O O . HOH AB 6 . ? -8.896 -1.358 -70.753 1.00 59.14 ? 684 HOH D O 1 HETATM 12929 O O . HOH AB 6 . ? -32.606 7.848 -60.737 1.00 40.14 ? 685 HOH D O 1 HETATM 12930 O O . HOH AB 6 . ? -36.374 40.993 -79.246 1.00 61.97 ? 686 HOH D O 1 HETATM 12931 O O . HOH AB 6 . ? -36.668 42.652 -80.970 1.00 62.49 ? 687 HOH D O 1 HETATM 12932 O O . HOH AB 6 . ? -15.425 5.963 -88.663 1.00 52.32 ? 688 HOH D O 1 HETATM 12933 O O . HOH AB 6 . ? -38.939 -4.396 -53.185 1.00 65.20 ? 689 HOH D O 1 HETATM 12934 O O . HOH AB 6 . ? -37.415 26.351 -65.430 1.00 50.96 ? 690 HOH D O 1 HETATM 12935 O O . HOH AB 6 . ? -17.059 7.708 -89.202 1.00 52.10 ? 691 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 . ALA A 15 ? 1.1207 1.1544 1.1340 0.0126 -0.0072 -0.0246 82 ALA A N 2 C CA . ALA A 15 ? 1.0909 1.1236 1.1013 0.0122 -0.0089 -0.0218 82 ALA A CA 3 C C . ALA A 15 ? 1.1220 1.1518 1.1333 0.0127 -0.0121 -0.0203 82 ALA A C 4 O O . ALA A 15 ? 1.0929 1.1206 1.1043 0.0129 -0.0128 -0.0206 82 ALA A O 5 C CB . ALA A 15 ? 1.0309 1.0635 1.0349 0.0111 -0.0079 -0.0205 82 ALA A CB 6 N N . GLU A 16 ? 1.1216 1.1510 1.1335 0.0128 -0.0139 -0.0187 83 GLU A N 7 C CA . GLU A 16 ? 1.0230 1.0496 1.0356 0.0130 -0.0171 -0.0170 83 GLU A CA 8 C C . GLU A 16 ? 0.8857 0.9110 0.8925 0.0117 -0.0179 -0.0144 83 GLU A C 9 O O . GLU A 16 ? 0.7873 0.8142 0.7908 0.0110 -0.0161 -0.0142 83 GLU A O 10 C CB . GLU A 16 ? 1.0989 1.1264 1.1172 0.0140 -0.0187 -0.0173 83 GLU A CB 11 C CG . GLU A 16 ? 1.2913 1.3163 1.3135 0.0151 -0.0217 -0.0169 83 GLU A CG 12 C CD . GLU A 16 ? 1.3405 1.3617 1.3586 0.0142 -0.0244 -0.0143 83 GLU A CD 13 O OE1 . GLU A 16 ? 1.3439 1.3642 1.3610 0.0137 -0.0266 -0.0123 83 GLU A OE1 14 O OE2 . GLU A 16 ? 1.0722 1.0912 1.0878 0.0139 -0.0243 -0.0142 83 GLU A OE2 15 N N . TYR A 17 ? 0.6836 0.7060 0.6891 0.0113 -0.0205 -0.0127 84 TYR A N 16 C CA . TYR A 17 ? 0.6168 0.6380 0.6174 0.0100 -0.0213 -0.0105 84 TYR A CA 17 C C . TYR A 17 ? 0.5773 0.5999 0.5786 0.0098 -0.0218 -0.0097 84 TYR A C 18 O O . TYR A 17 ? 0.6323 0.6555 0.6379 0.0107 -0.0229 -0.0101 84 TYR A O 19 C CB . TYR A 17 ? 0.5638 0.5815 0.5628 0.0094 -0.0239 -0.0088 84 TYR A CB 20 C CG . TYR A 17 ? 0.5525 0.5685 0.5497 0.0092 -0.0235 -0.0093 84 TYR A CG 21 C CD1 . TYR A 17 ? 0.5422 0.5593 0.5355 0.0084 -0.0213 -0.0096 84 TYR A CD1 22 C CD2 . TYR A 17 ? 0.5869 0.6003 0.5865 0.0098 -0.0253 -0.0095 84 TYR A CD2 23 C CE1 . TYR A 17 ? 0.5690 0.5847 0.5605 0.0080 -0.0209 -0.0101 84 TYR A CE1 24 C CE2 . TYR A 17 ? 0.5597 0.5714 0.5573 0.0093 -0.0248 -0.0099 84 TYR A CE2 25 C CZ . TYR A 17 ? 0.5994 0.6124 0.5930 0.0084 -0.0226 -0.0103 84 TYR A CZ 26 O OH . TYR A 17 ? 0.7260 0.7377 0.7178 0.0079 -0.0220 -0.0108 84 TYR A OH 27 N N . ARG A 18 ? 0.5986 0.6216 0.5955 0.0087 -0.0209 -0.0086 85 ARG A N 28 C CA . ARG A 18 ? 0.6104 0.6339 0.6068 0.0081 -0.0217 -0.0074 85 ARG A CA 29 C C . ARG A 18 ? 0.5949 0.6158 0.5903 0.0073 -0.0247 -0.0055 85 ARG A C 30 O O . ARG A 18 ? 0.7058 0.7242 0.6979 0.0064 -0.0257 -0.0045 85 ARG A O 31 C CB . ARG A 18 ? 0.6775 0.7013 0.6688 0.0069 -0.0201 -0.0066 85 ARG A CB 32 C CG . ARG A 18 ? 0.6914 0.7178 0.6823 0.0072 -0.0173 -0.0078 85 ARG A CG 33 C CD . ARG A 18 ? 0.6934 0.7194 0.6792 0.0061 -0.0163 -0.0067 85 ARG A CD 34 N NE . ARG A 18 ? 0.7076 0.7354 0.6925 0.0060 -0.0143 -0.0071 85 ARG A NE 35 C CZ . ARG A 18 ? 0.6481 0.6763 0.6296 0.0056 -0.0127 -0.0068 85 ARG A CZ 36 N NH1 . ARG A 18 ? 0.6638 0.6909 0.6422 0.0051 -0.0128 -0.0062 85 ARG A NH1 37 N NH2 . ARG A 18 ? 0.7281 0.7577 0.7092 0.0056 -0.0112 -0.0071 85 ARG A NH2 38 N N . ASN A 19 ? 0.5917 0.6131 0.5894 0.0073 -0.0262 -0.0050 86 ASN A N 39 C CA . ASN A 19 ? 0.6224 0.6414 0.6193 0.0064 -0.0293 -0.0031 86 ASN A CA 40 C C . ASN A 19 ? 0.5965 0.6160 0.5907 0.0051 -0.0295 -0.0019 86 ASN A C 41 O O . ASN A 19 ? 0.6565 0.6737 0.6481 0.0038 -0.0318 -0.0001 86 ASN A O 42 C CB . ASN A 19 ? 0.6636 0.6824 0.6663 0.0077 -0.0318 -0.0034 86 ASN A CB 43 C CG . ASN A 19 ? 0.7025 0.7204 0.7080 0.0091 -0.0319 -0.0045 86 ASN A CG 44 O OD1 . ASN A 19 ? 1.0057 1.0256 1.0159 0.0105 -0.0307 -0.0065 86 ASN A OD1 45 N ND2 . ASN A 19 ? 0.8485 0.8633 0.8510 0.0084 -0.0331 -0.0035 86 ASN A ND2 46 N N . TRP A 20 ? 0.4846 0.5067 0.4788 0.0052 -0.0270 -0.0029 87 TRP A N 47 C CA . TRP A 20 ? 0.5206 0.5432 0.5125 0.0039 -0.0269 -0.0020 87 TRP A CA 48 C C . TRP A 20 ? 0.5273 0.5493 0.5213 0.0035 -0.0300 -0.0010 87 TRP A C 49 O O . TRP A 20 ? 0.5765 0.5973 0.5673 0.0019 -0.0311 0.0004 87 TRP A O 50 C CB . TRP A 20 ? 0.5164 0.5371 0.5022 0.0023 -0.0265 -0.0008 87 TRP A CB 51 C CG . TRP A 20 ? 0.5214 0.5425 0.5047 0.0025 -0.0240 -0.0015 87 TRP A CG 52 C CD1 . TRP A 20 ? 0.5370 0.5567 0.5191 0.0026 -0.0241 -0.0015 87 TRP A CD1 53 C CD2 . TRP A 20 ? 0.4996 0.5226 0.4816 0.0026 -0.0211 -0.0023 87 TRP A CD2 54 N NE1 . TRP A 20 ? 0.5257 0.5465 0.5057 0.0027 -0.0215 -0.0022 87 TRP A NE1 55 C CE2 . TRP A 20 ? 0.4913 0.5140 0.4712 0.0028 -0.0198 -0.0027 87 TRP A CE2 56 C CE3 . TRP A 20 ? 0.5043 0.5290 0.4864 0.0025 -0.0197 -0.0027 87 TRP A CE3 57 C CZ2 . TRP A 20 ? 0.5047 0.5290 0.4830 0.0030 -0.0172 -0.0034 87 TRP A CZ2 58 C CZ3 . TRP A 20 ? 0.4741 0.5000 0.4542 0.0027 -0.0170 -0.0034 87 TRP A CZ3 59 C CH2 . TRP A 20 ? 0.4898 0.5155 0.4682 0.0030 -0.0159 -0.0037 87 TRP A CH2 60 N N . SER A 21 ? 0.5629 0.5856 0.5624 0.0049 -0.0314 -0.0017 88 SER A N 61 C CA . SER A 21 ? 0.5977 0.6197 0.5999 0.0048 -0.0349 -0.0006 88 SER A CA 62 C C . SER A 21 ? 0.5980 0.6230 0.6033 0.0049 -0.0344 -0.0013 88 SER A C 63 O O . SER A 21 ? 0.6717 0.6985 0.6828 0.0062 -0.0354 -0.0023 88 SER A O 64 C CB . SER A 21 ? 0.5724 0.5934 0.5795 0.0064 -0.0371 -0.0009 88 SER A CB 65 O OG . SER A 21 ? 0.5973 0.6210 0.6091 0.0082 -0.0349 -0.0033 88 SER A OG 66 N N . LYS A 22 ? 0.5948 0.6205 0.5962 0.0035 -0.0328 -0.0010 89 LYS A N 67 C CA . LYS A 22 ? 0.6182 0.6463 0.6213 0.0031 -0.0323 -0.0014 89 LYS A CA 68 C C . LYS A 22 ? 0.6232 0.6498 0.6210 0.0009 -0.0328 0.0001 89 LYS A C 69 O O . LYS A 22 ? 0.5702 0.5947 0.5630 0.0000 -0.0323 0.0010 89 LYS A O 70 C CB . LYS A 22 ? 0.6364 0.6671 0.6402 0.0037 -0.0286 -0.0033 89 LYS A CB 71 C CG . LYS A 22 ? 0.6956 0.7280 0.7046 0.0056 -0.0278 -0.0051 89 LYS A CG 72 C CD . LYS A 22 ? 0.6755 0.7103 0.6846 0.0059 -0.0242 -0.0069 89 LYS A CD 73 C CE . LYS A 22 ? 0.6471 0.6834 0.6615 0.0077 -0.0236 -0.0089 89 LYS A CE 74 N NZ . LYS A 22 ? 0.6966 0.7345 0.7100 0.0078 -0.0201 -0.0105 89 LYS A NZ 75 N N . PRO A 23 ? 0.5927 0.6206 0.5917 0.0001 -0.0338 0.0003 90 PRO A N 76 C CA . PRO A 23 ? 0.5937 0.6203 0.5875 -0.0021 -0.0339 0.0016 90 PRO A CA 77 C C . PRO A 23 ? 0.5939 0.6210 0.5839 -0.0026 -0.0302 0.0009 90 PRO A C 78 O O . PRO A 23 ? 0.5017 0.5306 0.4935 -0.0013 -0.0276 -0.0005 90 PRO A O 79 C CB . PRO A 23 ? 0.6023 0.6307 0.5991 -0.0026 -0.0356 0.0017 90 PRO A CB 80 C CG . PRO A 23 ? 0.5807 0.6123 0.5841 -0.0006 -0.0347 -0.0001 90 PRO A CG 81 C CD . PRO A 23 ? 0.5890 0.6200 0.5942 0.0011 -0.0342 -0.0008 90 PRO A CD 82 N N . GLN A 24 ? 0.5429 0.5681 0.5275 -0.0045 -0.0300 0.0019 91 GLN A N 83 C CA . GLN A 24 ? 0.5483 0.5736 0.5291 -0.0051 -0.0268 0.0014 91 GLN A CA 84 C C . GLN A 24 ? 0.6090 0.6366 0.5915 -0.0053 -0.0254 0.0005 91 GLN A C 85 O O . GLN A 24 ? 0.5934 0.6214 0.5772 -0.0062 -0.0272 0.0009 91 GLN A O 86 C CB . GLN A 24 ? 0.5139 0.5367 0.4891 -0.0073 -0.0272 0.0027 91 GLN A CB 87 C CG . GLN A 24 ? 0.5380 0.5605 0.5091 -0.0081 -0.0242 0.0022 91 GLN A CG 88 C CD . GLN A 24 ? 0.5372 0.5572 0.5032 -0.0100 -0.0246 0.0032 91 GLN A CD 89 O OE1 . GLN A 24 ? 0.5109 0.5297 0.4753 -0.0098 -0.0244 0.0034 91 GLN A OE1 90 N NE2 . GLN A 24 ? 0.5241 0.5432 0.4873 -0.0121 -0.0250 0.0037 91 GLN A NE2 91 N N . CYS A 25 ? 0.6022 0.6309 0.5844 -0.0046 -0.0223 -0.0006 92 CYS A N 92 C CA . CYS A 25 ? 0.6542 0.6847 0.6373 -0.0050 -0.0206 -0.0014 92 CYS A CA 93 C C . CYS A 25 ? 0.6673 0.6964 0.6465 -0.0072 -0.0209 -0.0006 92 CYS A C 94 O O . CYS A 25 ? 0.6209 0.6479 0.5958 -0.0081 -0.0206 0.0000 92 CYS A O 95 C CB . CYS A 25 ? 0.7093 0.7406 0.6917 -0.0042 -0.0173 -0.0026 92 CYS A CB 96 S SG . CYS A 25 ? 0.9725 1.0052 0.9586 -0.0019 -0.0165 -0.0038 92 CYS A SG 97 N N . GLN A 26 ? 0.6346 0.6650 0.6155 -0.0081 -0.0215 -0.0008 93 GLN A N 98 C CA . GLN A 26 ? 0.7571 0.7864 0.7343 -0.0103 -0.0214 -0.0002 93 GLN A CA 99 C C . GLN A 26 ? 0.7009 0.7301 0.6759 -0.0104 -0.0180 -0.0011 93 GLN A C 100 O O . GLN A 26 ? 0.8496 0.8808 0.8272 -0.0098 -0.0167 -0.0021 93 GLN A O 101 C CB . GLN A 26 ? 0.8119 0.8427 0.7919 -0.0113 -0.0235 -0.0001 93 GLN A CB 102 C CG . GLN A 26 ? 0.8117 0.8422 0.7937 -0.0113 -0.0274 0.0010 93 GLN A CG 103 C CD . GLN A 26 ? 0.8278 0.8551 0.8048 -0.0126 -0.0287 0.0024 93 GLN A CD 104 O OE1 . GLN A 26 ? 0.7836 0.8094 0.7565 -0.0149 -0.0290 0.0031 93 GLN A OE1 105 N NE2 . GLN A 26 ? 0.7586 0.7848 0.7357 -0.0114 -0.0292 0.0028 93 GLN A NE2 106 N N . ILE A 27 ? 0.6254 0.6525 0.5959 -0.0110 -0.0167 -0.0007 94 ILE A N 107 C CA . ILE A 27 ? 0.6356 0.6623 0.6040 -0.0108 -0.0136 -0.0015 94 ILE A CA 108 C C . ILE A 27 ? 0.6074 0.6328 0.5725 -0.0129 -0.0128 -0.0014 94 ILE A C 109 O O . ILE A 27 ? 0.5171 0.5416 0.4804 -0.0145 -0.0144 -0.0007 94 ILE A O 110 C CB . ILE A 27 ? 0.6629 0.6882 0.6289 -0.0099 -0.0122 -0.0014 94 ILE A CB 111 C CG1 . ILE A 27 ? 0.6293 0.6525 0.5916 -0.0113 -0.0130 -0.0006 94 ILE A CG1 112 C CG2 . ILE A 27 ? 0.6845 0.7109 0.6533 -0.0079 -0.0128 -0.0015 94 ILE A CG2 113 C CD1 . ILE A 27 ? 0.7157 0.7379 0.6757 -0.0105 -0.0112 -0.0007 94 ILE A CD1 114 N N . THR A 28 ? 0.5705 0.5959 0.5348 -0.0128 -0.0102 -0.0021 95 THR A N 115 C CA . THR A 28 ? 0.5494 0.5734 0.5107 -0.0146 -0.0091 -0.0023 95 THR A CA 116 C C . THR A 28 ? 0.5649 0.5868 0.5227 -0.0144 -0.0068 -0.0024 95 THR A C 117 O O . THR A 28 ? 0.5091 0.5294 0.4639 -0.0158 -0.0056 -0.0026 95 THR A O 118 C CB . THR A 28 ? 0.5847 0.6099 0.5477 -0.0147 -0.0078 -0.0031 95 THR A CB 119 O OG1 . THR A 28 ? 0.6121 0.6380 0.5763 -0.0130 -0.0059 -0.0036 95 THR A OG1 120 C CG2 . THR A 28 ? 0.5766 0.6043 0.5435 -0.0151 -0.0099 -0.0031 95 THR A CG2 121 N N . GLY A 29 ? 0.5151 0.5369 0.4731 -0.0127 -0.0064 -0.0023 96 GLY A N 122 C CA . GLY A 29 ? 0.4739 0.4943 0.4295 -0.0120 -0.0044 -0.0025 96 GLY A CA 123 C C . GLY A 29 ? 0.5013 0.5225 0.4585 -0.0098 -0.0038 -0.0026 96 GLY A C 124 O O . GLY A 29 ? 0.5188 0.5416 0.4787 -0.0089 -0.0051 -0.0025 96 GLY A O 125 N N . PHE A 30 ? 0.4964 0.5166 0.4521 -0.0090 -0.0018 -0.0029 97 PHE A N 126 C CA . PHE A 30 ? 0.4762 0.4971 0.4329 -0.0071 -0.0012 -0.0029 97 PHE A CA 127 C C . PHE A 30 ? 0.4977 0.5181 0.4540 -0.0063 0.0006 -0.0032 97 PHE A C 128 O O . PHE A 30 ? 0.4723 0.4912 0.4268 -0.0070 0.0018 -0.0034 97 PHE A O 129 C CB . PHE A 30 ? 0.5131 0.5331 0.4680 -0.0067 -0.0012 -0.0027 97 PHE A CB 130 C CG . PHE A 30 ? 0.4914 0.5115 0.4463 -0.0076 -0.0030 -0.0023 97 PHE A CG 131 C CD1 . PHE A 30 ? 0.5088 0.5300 0.4655 -0.0067 -0.0045 -0.0021 97 PHE A CD1 132 C CD2 . PHE A 30 ? 0.5208 0.5396 0.4734 -0.0094 -0.0034 -0.0022 97 PHE A CD2 133 C CE1 . PHE A 30 ? 0.5217 0.5426 0.4780 -0.0077 -0.0064 -0.0016 97 PHE A CE1 134 C CE2 . PHE A 30 ? 0.5497 0.5683 0.5017 -0.0105 -0.0052 -0.0017 97 PHE A CE2 135 C CZ . PHE A 30 ? 0.4953 0.5149 0.4492 -0.0096 -0.0068 -0.0013 97 PHE A CZ 136 N N . ALA A 31 ? 0.4703 0.4919 0.4281 -0.0050 0.0008 -0.0033 98 ALA A N 137 C CA . ALA A 31 ? 0.4319 0.4531 0.3892 -0.0044 0.0025 -0.0035 98 ALA A CA 138 C C . ALA A 31 ? 0.4361 0.4571 0.3928 -0.0028 0.0029 -0.0033 98 ALA A C 139 O O . ALA A 31 ? 0.4345 0.4565 0.3922 -0.0020 0.0020 -0.0032 98 ALA A O 140 C CB . ALA A 31 ? 0.4723 0.4952 0.4319 -0.0045 0.0024 -0.0040 98 ALA A CB 141 N N . PRO A 32 ? 0.4314 0.4510 0.3865 -0.0023 0.0043 -0.0031 99 PRO A N 142 C CA . PRO A 32 ? 0.4523 0.4718 0.4067 -0.0008 0.0047 -0.0028 99 PRO A CA 143 C C . PRO A 32 ? 0.4484 0.4697 0.4044 -0.0001 0.0043 -0.0030 99 PRO A C 144 O O . PRO A 32 ? 0.5730 0.5953 0.5301 -0.0006 0.0045 -0.0034 99 PRO A O 145 C CB . PRO A 32 ? 0.4777 0.4951 0.4302 -0.0008 0.0061 -0.0026 99 PRO A CB 146 C CG . PRO A 32 ? 0.4978 0.5140 0.4496 -0.0021 0.0066 -0.0027 99 PRO A CG 147 C CD . PRO A 32 ? 0.4528 0.4709 0.4066 -0.0031 0.0056 -0.0032 99 PRO A CD 148 N N . PHE A 33 ? 0.4342 0.4562 0.3904 0.0008 0.0037 -0.0029 100 PHE A N 149 C CA . PHE A 33 ? 0.4916 0.5153 0.4492 0.0015 0.0032 -0.0031 100 PHE A CA 150 C C . PHE A 33 ? 0.5219 0.5454 0.4782 0.0026 0.0036 -0.0028 100 PHE A C 151 O O . PHE A 33 ? 0.5708 0.5949 0.5272 0.0028 0.0041 -0.0030 100 PHE A O 152 C CB . PHE A 33 ? 0.4918 0.5167 0.4511 0.0015 0.0018 -0.0033 100 PHE A CB 153 C CG . PHE A 33 ? 0.4490 0.4755 0.4102 0.0020 0.0013 -0.0038 100 PHE A CG 154 C CD1 . PHE A 33 ? 0.5032 0.5308 0.4658 0.0019 0.0018 -0.0045 100 PHE A CD1 155 C CD2 . PHE A 33 ? 0.4643 0.4915 0.4261 0.0026 0.0003 -0.0038 100 PHE A CD2 156 C CE1 . PHE A 33 ? 0.5194 0.5486 0.4841 0.0023 0.0014 -0.0052 100 PHE A CE1 157 C CE2 . PHE A 33 ? 0.4523 0.4809 0.4160 0.0030 -0.0001 -0.0044 100 PHE A CE2 158 C CZ . PHE A 33 ? 0.4706 0.5001 0.4358 0.0029 0.0004 -0.0051 100 PHE A CZ 159 N N . SER A 34 ? 0.4794 0.5022 0.4348 0.0032 0.0034 -0.0024 101 SER A N 160 C CA . SER A 34 ? 0.4901 0.5130 0.4446 0.0043 0.0036 -0.0021 101 SER A CA 161 C C . SER A 34 ? 0.4818 0.5036 0.4353 0.0050 0.0037 -0.0017 101 SER A C 162 O O . SER A 34 ? 0.4085 0.4299 0.3621 0.0045 0.0036 -0.0018 101 SER A O 163 C CB . SER A 34 ? 0.5415 0.5663 0.4973 0.0047 0.0027 -0.0024 101 SER A CB 164 O OG . SER A 34 ? 0.5665 0.5917 0.5214 0.0056 0.0028 -0.0022 101 SER A OG 165 N N . LYS A 35 ? 0.4526 0.4740 0.4051 0.0059 0.0039 -0.0011 102 LYS A N 166 C CA . LYS A 35 ? 0.4858 0.5063 0.4378 0.0068 0.0040 -0.0008 102 LYS A CA 167 C C . LYS A 35 ? 0.5114 0.5327 0.4631 0.0079 0.0035 -0.0004 102 LYS A C 168 O O . LYS A 35 ? 0.4899 0.5109 0.4405 0.0078 0.0036 0.0000 102 LYS A O 169 C CB . LYS A 35 ? 0.5130 0.5311 0.4638 0.0067 0.0048 -0.0004 102 LYS A CB 170 C CG . LYS A 35 ? 0.5628 0.5798 0.5135 0.0075 0.0050 -0.0004 102 LYS A CG 171 C CD . LYS A 35 ? 0.5783 0.5926 0.5279 0.0073 0.0059 -0.0001 102 LYS A CD 172 C CE . LYS A 35 ? 0.6207 0.6340 0.5709 0.0080 0.0063 -0.0004 102 LYS A CE 173 N NZ . LYS A 35 ? 0.6049 0.6188 0.5559 0.0097 0.0057 0.0000 102 LYS A NZ 174 N N . ASP A 36 ? 0.4924 0.5145 0.4447 0.0087 0.0030 -0.0004 103 ASP A N 175 C CA . ASP A 36 ? 0.5067 0.5298 0.4588 0.0096 0.0024 0.0000 103 ASP A CA 176 C C . ASP A 36 ? 0.4773 0.4992 0.4288 0.0109 0.0022 0.0007 103 ASP A C 177 O O . ASP A 36 ? 0.4852 0.5076 0.4360 0.0114 0.0016 0.0013 103 ASP A O 178 C CB . ASP A 36 ? 0.6377 0.6631 0.5909 0.0097 0.0016 -0.0005 103 ASP A CB 179 C CG . ASP A 36 ? 0.7211 0.7471 0.6755 0.0101 0.0015 -0.0009 103 ASP A CG 180 O OD1 . ASP A 36 ? 0.7132 0.7379 0.6677 0.0103 0.0021 -0.0009 103 ASP A OD1 181 O OD2 . ASP A 36 ? 0.7698 0.7978 0.7251 0.0103 0.0009 -0.0013 103 ASP A OD2 182 N N . ASN A 37 ? 0.4663 0.4867 0.4181 0.0112 0.0027 0.0007 104 ASN A N 183 C CA . ASN A 37 ? 0.4524 0.4715 0.4040 0.0125 0.0025 0.0014 104 ASN A CA 184 C C . ASN A 37 ? 0.4812 0.5021 0.4341 0.0138 0.0014 0.0015 104 ASN A C 185 O O . ASN A 37 ? 0.4919 0.5119 0.4444 0.0149 0.0008 0.0024 104 ASN A O 186 C CB . ASN A 37 ? 0.4898 0.5067 0.4392 0.0124 0.0025 0.0025 104 ASN A CB 187 C CG . ASN A 37 ? 0.5232 0.5378 0.4715 0.0113 0.0036 0.0024 104 ASN A CG 188 O OD1 . ASN A 37 ? 0.5267 0.5400 0.4756 0.0114 0.0043 0.0020 104 ASN A OD1 189 N ND2 . ASN A 37 ? 0.5860 0.6004 0.5329 0.0102 0.0040 0.0025 104 ASN A ND2 190 N N . SER A 38 ? 0.4720 0.4954 0.4263 0.0136 0.0012 0.0007 105 SER A N 191 C CA . SER A 38 ? 0.5041 0.5297 0.4596 0.0145 0.0002 0.0007 105 SER A CA 192 C C . SER A 38 ? 0.4967 0.5220 0.4536 0.0161 -0.0001 0.0009 105 SER A C 193 O O . SER A 38 ? 0.4770 0.5032 0.4342 0.0171 -0.0012 0.0015 105 SER A O 194 C CB . SER A 38 ? 0.6072 0.6353 0.5642 0.0139 0.0002 -0.0004 105 SER A CB 195 O OG . SER A 38 ? 0.7868 0.8150 0.7429 0.0126 0.0004 -0.0006 105 SER A OG 196 N N . ILE A 39 ? 0.4544 0.4787 0.4124 0.0162 0.0007 0.0003 106 ILE A N 197 C CA . ILE A 39 ? 0.4805 0.5049 0.4408 0.0178 0.0005 0.0001 106 ILE A CA 198 C C . ILE A 39 ? 0.4774 0.4991 0.4365 0.0190 0.0000 0.0015 106 ILE A C 199 O O . ILE A 39 ? 0.5305 0.5527 0.4909 0.0205 -0.0011 0.0021 106 ILE A O 200 C CB . ILE A 39 ? 0.4305 0.4546 0.3924 0.0175 0.0019 -0.0012 106 ILE A CB 201 C CG1 . ILE A 39 ? 0.4331 0.4594 0.3953 0.0161 0.0024 -0.0024 106 ILE A CG1 202 C CG2 . ILE A 39 ? 0.4300 0.4547 0.3947 0.0192 0.0017 -0.0016 106 ILE A CG2 203 C CD1 . ILE A 39 ? 0.4787 0.5082 0.4422 0.0164 0.0015 -0.0027 106 ILE A CD1 204 N N . ARG A 40 ? 0.4425 0.4613 0.3994 0.0182 0.0006 0.0020 107 ARG A N 205 C CA . ARG A 40 ? 0.4892 0.5052 0.4444 0.0188 0.0001 0.0035 107 ARG A CA 206 C C . ARG A 40 ? 0.5064 0.5233 0.4603 0.0192 -0.0014 0.0048 107 ARG A C 207 O O . ARG A 40 ? 0.4524 0.4681 0.4063 0.0205 -0.0026 0.0059 107 ARG A O 208 C CB . ARG A 40 ? 0.4545 0.4677 0.4072 0.0174 0.0012 0.0038 107 ARG A CB 209 C CG . ARG A 40 ? 0.5077 0.5189 0.4611 0.0173 0.0025 0.0030 107 ARG A CG 210 C CD . ARG A 40 ? 0.4298 0.4392 0.3810 0.0156 0.0036 0.0030 107 ARG A CD 211 N NE . ARG A 40 ? 0.4790 0.4857 0.4276 0.0154 0.0033 0.0044 107 ARG A NE 212 C CZ . ARG A 40 ? 0.5156 0.5187 0.4633 0.0159 0.0035 0.0051 107 ARG A CZ 213 N NH1 . ARG A 40 ? 0.4831 0.4838 0.4280 0.0155 0.0033 0.0064 107 ARG A NH1 214 N NH2 . ARG A 40 ? 0.5283 0.5304 0.4779 0.0167 0.0041 0.0043 107 ARG A NH2 215 N N . LEU A 41 ? 0.4850 0.5038 0.4378 0.0180 -0.0015 0.0045 108 LEU A N 216 C CA . LEU A 41 ? 0.4708 0.4907 0.4223 0.0181 -0.0028 0.0054 108 LEU A CA 217 C C . LEU A 41 ? 0.5144 0.5368 0.4681 0.0195 -0.0042 0.0054 108 LEU A C 218 O O . LEU A 41 ? 0.4647 0.4871 0.4174 0.0201 -0.0057 0.0066 108 LEU A O 219 C CB . LEU A 41 ? 0.4875 0.5088 0.4376 0.0165 -0.0023 0.0049 108 LEU A CB 220 C CG . LEU A 41 ? 0.5307 0.5499 0.4786 0.0151 -0.0012 0.0050 108 LEU A CG 221 C CD1 . LEU A 41 ? 0.5300 0.5512 0.4779 0.0137 -0.0006 0.0040 108 LEU A CD1 222 C CD2 . LEU A 41 ? 0.5109 0.5278 0.4558 0.0148 -0.0016 0.0064 108 LEU A CD2 223 N N . SER A 42 ? 0.4819 0.5065 0.4385 0.0198 -0.0037 0.0040 109 SER A N 224 C CA . SER A 42 ? 0.5036 0.5311 0.4630 0.0210 -0.0048 0.0037 109 SER A CA 225 C C . SER A 42 ? 0.5001 0.5265 0.4608 0.0229 -0.0061 0.0046 109 SER A C 226 O O . SER A 42 ? 0.5942 0.6228 0.5565 0.0239 -0.0075 0.0049 109 SER A O 227 C CB . SER A 42 ? 0.5339 0.5634 0.4961 0.0208 -0.0037 0.0019 109 SER A CB 228 O OG . SER A 42 ? 0.5353 0.5662 0.4964 0.0191 -0.0031 0.0012 109 SER A OG 229 N N . ALA A 43 ? 0.5375 0.5606 0.4977 0.0234 -0.0056 0.0052 110 ALA A N 230 C CA . ALA A 43 ? 0.5665 0.5878 0.5278 0.0253 -0.0068 0.0063 110 ALA A CA 231 C C . ALA A 43 ? 0.6087 0.6284 0.5671 0.0255 -0.0087 0.0084 110 ALA A C 232 O O . ALA A 43 ? 0.6155 0.6335 0.5746 0.0271 -0.0101 0.0095 110 ALA A O 233 C CB . ALA A 43 ? 0.6025 0.6205 0.5641 0.0256 -0.0056 0.0061 110 ALA A CB 234 N N . GLY A 44 ? 0.6307 0.6506 0.5857 0.0238 -0.0086 0.0088 111 GLY A N 235 C CA . GLY A 44 ? 0.7205 0.7390 0.6723 0.0236 -0.0103 0.0107 111 GLY A CA 236 C C . GLY A 44 ? 0.7529 0.7736 0.7024 0.0218 -0.0102 0.0104 111 GLY A C 237 O O . GLY A 44 ? 0.9025 0.9213 0.8483 0.0203 -0.0098 0.0111 111 GLY A O 238 N N . GLY A 45 ? 0.6666 0.6910 0.6184 0.0219 -0.0103 0.0093 112 GLY A N 239 C CA . GLY A 45 ? 0.6017 0.6284 0.5521 0.0204 -0.0101 0.0087 112 GLY A CA 240 C C . GLY A 45 ? 0.5750 0.6054 0.5285 0.0206 -0.0099 0.0071 112 GLY A C 241 O O . GLY A 45 ? 0.6081 0.6393 0.5648 0.0215 -0.0093 0.0061 112 GLY A O 242 N N . ASP A 46 ? 0.5883 0.6209 0.5409 0.0195 -0.0101 0.0066 113 ASP A N 243 C CA . ASP A 46 ? 0.5596 0.5958 0.5147 0.0193 -0.0100 0.0051 113 ASP A CA 244 C C . ASP A 46 ? 0.5275 0.5637 0.4824 0.0179 -0.0081 0.0038 113 ASP A C 245 O O . ASP A 46 ? 0.5239 0.5598 0.4767 0.0166 -0.0077 0.0037 113 ASP A O 246 C CB . ASP A 46 ? 0.5690 0.6074 0.5230 0.0188 -0.0113 0.0054 113 ASP A CB 247 C CG . ASP A 46 ? 0.6987 0.7368 0.6524 0.0200 -0.0135 0.0070 113 ASP A CG 248 O OD1 . ASP A 46 ? 0.7618 0.8007 0.7187 0.0217 -0.0142 0.0071 113 ASP A OD1 249 O OD2 . ASP A 46 ? 0.7396 0.7768 0.6900 0.0192 -0.0144 0.0082 113 ASP A OD2 250 N N . ILE A 47 ? 0.4845 0.5209 0.4418 0.0183 -0.0072 0.0029 114 ILE A N 251 C CA . ILE A 47 ? 0.4889 0.5250 0.4463 0.0172 -0.0057 0.0018 114 ILE A CA 252 C C . ILE A 47 ? 0.4783 0.5170 0.4384 0.0171 -0.0054 0.0004 114 ILE A C 253 O O . ILE A 47 ? 0.4317 0.4716 0.3942 0.0182 -0.0057 0.0001 114 ILE A O 254 C CB . ILE A 47 ? 0.5018 0.5352 0.4590 0.0173 -0.0046 0.0020 114 ILE A CB 255 C CG1 . ILE A 47 ? 0.5732 0.6038 0.5275 0.0172 -0.0047 0.0033 114 ILE A CG1 256 C CG2 . ILE A 47 ? 0.4494 0.4826 0.4069 0.0162 -0.0033 0.0009 114 ILE A CG2 257 C CD1 . ILE A 47 ? 0.5356 0.5659 0.4876 0.0156 -0.0043 0.0032 114 ILE A CD1 258 N N . TRP A 48 ? 0.4395 0.4789 0.3991 0.0157 -0.0047 -0.0004 115 TRP A N 259 C CA . TRP A 48 ? 0.5124 0.5539 0.4739 0.0152 -0.0044 -0.0017 115 TRP A CA 260 C C . TRP A 48 ? 0.4710 0.5120 0.4342 0.0154 -0.0034 -0.0023 115 TRP A C 261 O O . TRP A 48 ? 0.4558 0.4944 0.4181 0.0153 -0.0027 -0.0021 115 TRP A O 262 C CB . TRP A 48 ? 0.4558 0.4974 0.4163 0.0137 -0.0040 -0.0023 115 TRP A CB 263 C CG . TRP A 48 ? 0.4556 0.4986 0.4153 0.0132 -0.0047 -0.0023 115 TRP A CG 264 C CD1 . TRP A 48 ? 0.4604 0.5027 0.4182 0.0130 -0.0051 -0.0017 115 TRP A CD1 265 C CD2 . TRP A 48 ? 0.4507 0.4962 0.4114 0.0127 -0.0052 -0.0031 115 TRP A CD2 266 N NE1 . TRP A 48 ? 0.4678 0.5119 0.4253 0.0124 -0.0057 -0.0021 115 TRP A NE1 267 C CE2 . TRP A 48 ? 0.4737 0.5197 0.4329 0.0123 -0.0058 -0.0030 115 TRP A CE2 268 C CE3 . TRP A 48 ? 0.4889 0.5362 0.4515 0.0124 -0.0050 -0.0041 115 TRP A CE3 269 C CZ2 . TRP A 48 ? 0.4677 0.5159 0.4273 0.0116 -0.0063 -0.0037 115 TRP A CZ2 270 C CZ3 . TRP A 48 ? 0.4738 0.5232 0.4366 0.0117 -0.0055 -0.0048 115 TRP A CZ3 271 C CH2 . TRP A 48 ? 0.5063 0.5561 0.4677 0.0114 -0.0061 -0.0045 115 TRP A CH2 272 N N . VAL A 49 ? 0.4443 0.4875 0.4098 0.0156 -0.0034 -0.0033 116 VAL A N 273 C CA . VAL A 49 ? 0.4607 0.5037 0.4274 0.0152 -0.0022 -0.0044 116 VAL A CA 274 C C . VAL A 49 ? 0.4617 0.5047 0.4273 0.0133 -0.0016 -0.0051 116 VAL A C 275 O O . VAL A 49 ? 0.3859 0.4305 0.3513 0.0126 -0.0021 -0.0054 116 VAL A O 276 C CB . VAL A 49 ? 0.4782 0.5239 0.4480 0.0159 -0.0022 -0.0053 116 VAL A CB 277 C CG1 . VAL A 49 ? 0.4809 0.5268 0.4518 0.0149 -0.0008 -0.0068 116 VAL A CG1 278 C CG2 . VAL A 49 ? 0.4879 0.5334 0.4592 0.0180 -0.0030 -0.0046 116 VAL A CG2 279 N N . THR A 50 ? 0.4690 0.5100 0.4338 0.0125 -0.0006 -0.0053 117 THR A N 280 C CA . THR A 50 ? 0.5203 0.5608 0.4839 0.0107 -0.0003 -0.0057 117 THR A CA 281 C C . THR A 50 ? 0.4484 0.4881 0.4121 0.0096 0.0008 -0.0066 117 THR A C 282 O O . THR A 50 ? 0.4141 0.4533 0.3787 0.0102 0.0015 -0.0069 117 THR A O 283 C CB . THR A 50 ? 0.5305 0.5690 0.4922 0.0103 -0.0005 -0.0048 117 THR A CB 284 O OG1 . THR A 50 ? 0.5824 0.6187 0.5436 0.0107 0.0000 -0.0044 117 THR A OG1 285 C CG2 . THR A 50 ? 0.5715 0.6103 0.5325 0.0111 -0.0014 -0.0041 117 THR A CG2 286 N N . ARG A 51 ? 0.4413 0.4805 0.4038 0.0079 0.0009 -0.0069 118 ARG A N 287 C CA . ARG A 51 ? 0.4977 0.5353 0.4591 0.0064 0.0017 -0.0073 118 ARG A CA 288 C C . ARG A 51 ? 0.4620 0.4986 0.4217 0.0048 0.0011 -0.0070 118 ARG A C 289 O O . ARG A 51 ? 0.4973 0.5346 0.4569 0.0048 0.0001 -0.0067 118 ARG A O 290 C CB . ARG A 51 ? 0.5197 0.5585 0.4822 0.0057 0.0028 -0.0086 118 ARG A CB 291 C CG . ARG A 51 ? 0.4893 0.5275 0.4529 0.0066 0.0038 -0.0091 118 ARG A CG 292 C CD . ARG A 51 ? 0.5164 0.5546 0.4800 0.0050 0.0053 -0.0105 118 ARG A CD 293 N NE . ARG A 51 ? 0.5347 0.5706 0.4956 0.0031 0.0053 -0.0101 118 ARG A NE 294 C CZ . ARG A 51 ? 0.5586 0.5942 0.5181 0.0008 0.0060 -0.0110 118 ARG A CZ 295 N NH1 . ARG A 51 ? 0.5789 0.6163 0.5395 0.0001 0.0070 -0.0124 118 ARG A NH1 296 N NH2 . ARG A 51 ? 0.5507 0.5842 0.5077 -0.0007 0.0056 -0.0104 118 ARG A NH2 297 N N . GLU A 52 ? 0.4798 0.5147 0.4382 0.0034 0.0015 -0.0071 119 GLU A N 298 C CA . GLU A 52 ? 0.4554 0.4891 0.4123 0.0017 0.0007 -0.0067 119 GLU A CA 299 C C . GLU A 52 ? 0.4283 0.4613 0.3851 0.0026 -0.0002 -0.0058 119 GLU A C 300 O O . GLU A 52 ? 0.4494 0.4826 0.4060 0.0022 -0.0011 -0.0056 119 GLU A O 301 C CB . GLU A 52 ? 0.4995 0.5343 0.4560 0.0004 0.0004 -0.0073 119 GLU A CB 302 C CG . GLU A 52 ? 0.5928 0.6283 0.5491 -0.0009 0.0015 -0.0084 119 GLU A CG 303 C CD . GLU A 52 ? 0.6198 0.6579 0.5782 0.0002 0.0023 -0.0094 119 GLU A CD 304 O OE1 . GLU A 52 ? 0.6027 0.6424 0.5625 0.0016 0.0017 -0.0092 119 GLU A OE1 305 O OE2 . GLU A 52 ? 0.7582 0.7968 0.7172 -0.0002 0.0036 -0.0105 119 GLU A OE2 306 N N . PRO A 53 ? 0.4074 0.4394 0.3643 0.0035 0.0000 -0.0053 120 PRO A N 307 C CA . PRO A 53 ? 0.3957 0.4272 0.3526 0.0040 -0.0007 -0.0046 120 PRO A CA 308 C C . PRO A 53 ? 0.4228 0.4528 0.3790 0.0028 -0.0013 -0.0043 120 PRO A C 309 O O . PRO A 53 ? 0.4147 0.4438 0.3700 0.0015 -0.0012 -0.0045 120 PRO A O 310 C CB . PRO A 53 ? 0.4243 0.4551 0.3814 0.0052 0.0000 -0.0043 120 PRO A CB 311 C CG . PRO A 53 ? 0.4061 0.4360 0.3627 0.0045 0.0008 -0.0046 120 PRO A CG 312 C CD . PRO A 53 ? 0.4052 0.4363 0.3620 0.0038 0.0010 -0.0054 120 PRO A CD 313 N N . TYR A 54 ? 0.3912 0.4211 0.3480 0.0032 -0.0020 -0.0040 121 TYR A N 314 C CA . TYR A 54 ? 0.4162 0.4449 0.3729 0.0024 -0.0027 -0.0037 121 TYR A CA 315 C C . TYR A 54 ? 0.4540 0.4830 0.4119 0.0033 -0.0030 -0.0036 121 TYR A C 316 O O . TYR A 54 ? 0.4411 0.4710 0.3993 0.0044 -0.0026 -0.0037 121 TYR A O 317 C CB . TYR A 54 ? 0.4190 0.4471 0.3752 0.0011 -0.0038 -0.0037 121 TYR A CB 318 C CG . TYR A 54 ? 0.4679 0.4969 0.4246 0.0013 -0.0044 -0.0039 121 TYR A CG 319 C CD1 . TYR A 54 ? 0.4210 0.4511 0.3773 0.0011 -0.0041 -0.0043 121 TYR A CD1 320 C CD2 . TYR A 54 ? 0.4613 0.4902 0.4191 0.0016 -0.0053 -0.0038 121 TYR A CD2 321 C CE1 . TYR A 54 ? 0.4515 0.4823 0.4080 0.0011 -0.0046 -0.0046 121 TYR A CE1 322 C CE2 . TYR A 54 ? 0.4413 0.4707 0.3994 0.0017 -0.0058 -0.0041 121 TYR A CE2 323 C CZ . TYR A 54 ? 0.4589 0.4893 0.4162 0.0014 -0.0055 -0.0045 121 TYR A CZ 324 O OH . TYR A 54 ? 0.4104 0.4414 0.3679 0.0013 -0.0059 -0.0048 121 TYR A OH 325 N N . VAL A 55 ? 0.4264 0.4546 0.3848 0.0028 -0.0037 -0.0034 122 VAL A N 326 C CA . VAL A 55 ? 0.4646 0.4931 0.4244 0.0035 -0.0037 -0.0035 122 VAL A CA 327 C C . VAL A 55 ? 0.4559 0.4841 0.4170 0.0030 -0.0051 -0.0035 122 VAL A C 328 O O . VAL A 55 ? 0.5329 0.5601 0.4935 0.0020 -0.0060 -0.0032 122 VAL A O 329 C CB . VAL A 55 ? 0.5147 0.5426 0.4744 0.0034 -0.0030 -0.0033 122 VAL A CB 330 C CG1 . VAL A 55 ? 0.5103 0.5387 0.4715 0.0039 -0.0030 -0.0036 122 VAL A CG1 331 C CG2 . VAL A 55 ? 0.5166 0.5444 0.4751 0.0040 -0.0018 -0.0032 122 VAL A CG2 332 N N . SER A 56 ? 0.5025 0.5314 0.4650 0.0037 -0.0052 -0.0040 123 SER A N 333 C CA . SER A 56 ? 0.5013 0.5299 0.4656 0.0036 -0.0065 -0.0042 123 SER A CA 334 C C . SER A 56 ? 0.5678 0.5975 0.5341 0.0044 -0.0059 -0.0050 123 SER A C 335 O O . SER A 56 ? 0.5719 0.6025 0.5376 0.0050 -0.0048 -0.0053 123 SER A O 336 C CB . SER A 56 ? 0.4852 0.5134 0.4490 0.0032 -0.0073 -0.0042 123 SER A CB 337 O OG . SER A 56 ? 0.4693 0.4968 0.4349 0.0030 -0.0087 -0.0043 123 SER A OG 338 N N . CYS A 57 ? 0.5629 0.5925 0.5316 0.0044 -0.0066 -0.0053 124 CYS A N 339 C CA . CYS A 57 ? 0.5839 0.6146 0.5548 0.0050 -0.0060 -0.0063 124 CYS A CA 340 C C . CYS A 57 ? 0.5762 0.6070 0.5496 0.0054 -0.0069 -0.0070 124 CYS A C 341 O O . CYS A 57 ? 0.5795 0.6093 0.5537 0.0051 -0.0085 -0.0066 124 CYS A O 342 C CB . CYS A 57 ? 0.5687 0.5997 0.5409 0.0048 -0.0058 -0.0063 124 CYS A CB 343 S SG . CYS A 57 ? 0.7114 0.7418 0.6805 0.0043 -0.0047 -0.0054 124 CYS A SG 344 N N . SER A 58 ? 0.6107 0.6425 0.5849 0.0059 -0.0060 -0.0080 125 SER A N 345 C CA . SER A 58 ? 0.6037 0.6357 0.5809 0.0064 -0.0065 -0.0091 125 SER A CA 346 C C . SER A 58 ? 0.6518 0.6847 0.6320 0.0065 -0.0064 -0.0098 125 SER A C 347 O O . SER A 58 ? 0.6420 0.6753 0.6215 0.0062 -0.0058 -0.0093 125 SER A O 348 C CB . SER A 58 ? 0.5735 0.6065 0.5504 0.0066 -0.0053 -0.0102 125 SER A CB 349 O OG . SER A 58 ? 0.5821 0.6163 0.5583 0.0066 -0.0036 -0.0107 125 SER A OG 350 N N . PRO A 59 ? 0.7158 0.7492 0.6997 0.0070 -0.0068 -0.0109 126 PRO A N 351 C CA . PRO A 59 ? 0.6890 0.7236 0.6762 0.0072 -0.0065 -0.0118 126 PRO A CA 352 C C . PRO A 59 ? 0.6241 0.6604 0.6106 0.0070 -0.0042 -0.0127 126 PRO A C 353 O O . PRO A 59 ? 0.6809 0.7180 0.6684 0.0067 -0.0036 -0.0129 126 PRO A O 354 C CB . PRO A 59 ? 0.6940 0.7288 0.6855 0.0080 -0.0074 -0.0130 126 PRO A CB 355 C CG . PRO A 59 ? 0.6977 0.7305 0.6878 0.0080 -0.0090 -0.0121 126 PRO A CG 356 C CD . PRO A 59 ? 0.6668 0.6993 0.6522 0.0075 -0.0080 -0.0113 126 PRO A CD 357 N N . GLY A 60 ? 0.6377 0.6743 0.6221 0.0069 -0.0029 -0.0132 127 GLY A N 358 C CA . GLY A 60 ? 0.6499 0.6876 0.6328 0.0065 -0.0007 -0.0139 127 GLY A CA 359 C C . GLY A 60 ? 0.6763 0.7134 0.6551 0.0060 -0.0001 -0.0126 127 GLY A C 360 O O . GLY A 60 ? 0.7019 0.7396 0.6800 0.0055 0.0012 -0.0128 127 GLY A O 361 N N . LYS A 61 ? 0.7294 0.7652 0.7055 0.0061 -0.0010 -0.0112 128 LYS A N 362 C CA . LYS A 61 ? 0.6645 0.6997 0.6373 0.0058 -0.0005 -0.0099 128 LYS A CA 363 C C . LYS A 61 ? 0.6131 0.6470 0.5840 0.0058 -0.0016 -0.0085 128 LYS A C 364 O O . LYS A 61 ? 0.5980 0.6315 0.5694 0.0060 -0.0028 -0.0084 128 LYS A O 365 C CB . LYS A 61 ? 0.7520 0.7877 0.7224 0.0056 0.0009 -0.0102 128 LYS A CB 366 C CG . LYS A 61 ? 0.8404 0.8761 0.8092 0.0059 0.0005 -0.0100 128 LYS A CG 367 C CD . LYS A 61 ? 1.0269 1.0633 0.9941 0.0055 0.0019 -0.0107 128 LYS A CD 368 C CE . LYS A 61 ? 1.0326 1.0691 0.9986 0.0050 0.0032 -0.0107 128 LYS A CE 369 N NZ . LYS A 61 ? 1.0492 1.0864 1.0138 0.0043 0.0045 -0.0116 128 LYS A NZ 370 N N . CYS A 62 ? 0.5080 0.5414 0.4766 0.0056 -0.0011 -0.0076 129 CYS A N 371 C CA . CYS A 62 ? 0.5089 0.5413 0.4758 0.0056 -0.0017 -0.0065 129 CYS A CA 372 C C . CYS A 62 ? 0.5203 0.5527 0.4848 0.0059 -0.0013 -0.0061 129 CYS A C 373 O O . CYS A 62 ? 0.4571 0.4899 0.4204 0.0060 -0.0004 -0.0062 129 CYS A O 374 C CB . CYS A 62 ? 0.6077 0.6393 0.5737 0.0052 -0.0014 -0.0059 129 CYS A CB 375 S SG . CYS A 62 ? 0.7244 0.7559 0.6930 0.0046 -0.0023 -0.0061 129 CYS A SG 376 N N . TYR A 63 ? 0.4585 0.4905 0.4223 0.0059 -0.0022 -0.0056 130 TYR A N 377 C CA . TYR A 63 ? 0.4568 0.4891 0.4188 0.0062 -0.0019 -0.0052 130 TYR A CA 378 C C . TYR A 63 ? 0.4628 0.4944 0.4236 0.0061 -0.0021 -0.0045 130 TYR A C 379 O O . TYR A 63 ? 0.4653 0.4961 0.4265 0.0055 -0.0027 -0.0043 130 TYR A O 380 C CB . TYR A 63 ? 0.5114 0.5444 0.4739 0.0062 -0.0026 -0.0057 130 TYR A CB 381 C CG . TYR A 63 ? 0.4830 0.5167 0.4464 0.0064 -0.0023 -0.0067 130 TYR A CG 382 C CD1 . TYR A 63 ? 0.5138 0.5474 0.4796 0.0062 -0.0025 -0.0074 130 TYR A CD1 383 C CD2 . TYR A 63 ? 0.4744 0.5090 0.4366 0.0065 -0.0016 -0.0070 130 TYR A CD2 384 C CE1 . TYR A 63 ? 0.5546 0.5890 0.5216 0.0063 -0.0020 -0.0085 130 TYR A CE1 385 C CE2 . TYR A 63 ? 0.4729 0.5082 0.4358 0.0064 -0.0011 -0.0080 130 TYR A CE2 386 C CZ . TYR A 63 ? 0.5590 0.5943 0.5244 0.0063 -0.0012 -0.0089 130 TYR A CZ 387 O OH . TYR A 63 ? 0.6511 0.6871 0.6175 0.0062 -0.0005 -0.0102 130 TYR A OH 388 N N . GLN A 64 ? 0.4400 0.4719 0.3995 0.0065 -0.0016 -0.0041 131 GLN A N 389 C CA . GLN A 64 ? 0.4510 0.4825 0.4097 0.0065 -0.0017 -0.0038 131 GLN A CA 390 C C . GLN A 64 ? 0.4521 0.4848 0.4108 0.0066 -0.0021 -0.0040 131 GLN A C 391 O O . GLN A 64 ? 0.4843 0.5179 0.4428 0.0070 -0.0022 -0.0042 131 GLN A O 392 C CB . GLN A 64 ? 0.5048 0.5358 0.4625 0.0070 -0.0009 -0.0033 131 GLN A CB 393 C CG . GLN A 64 ? 0.5529 0.5843 0.5098 0.0078 -0.0006 -0.0030 131 GLN A CG 394 C CD . GLN A 64 ? 0.5862 0.6164 0.5420 0.0083 0.0000 -0.0024 131 GLN A CD 395 O OE1 . GLN A 64 ? 0.6053 0.6345 0.5607 0.0080 0.0005 -0.0022 131 GLN A OE1 396 N NE2 . GLN A 64 ? 0.7128 0.7432 0.6683 0.0090 0.0000 -0.0020 131 GLN A NE2 397 N N . PHE A 65 ? 0.4646 0.4970 0.4231 0.0061 -0.0024 -0.0040 132 PHE A N 398 C CA . PHE A 65 ? 0.4535 0.4870 0.4120 0.0059 -0.0028 -0.0043 132 PHE A CA 399 C C . PHE A 65 ? 0.4629 0.4967 0.4210 0.0059 -0.0023 -0.0043 132 PHE A C 400 O O . PHE A 65 ? 0.4908 0.5235 0.4486 0.0057 -0.0018 -0.0041 132 PHE A O 401 C CB . PHE A 65 ? 0.4646 0.4975 0.4232 0.0048 -0.0036 -0.0045 132 PHE A CB 402 C CG . PHE A 65 ? 0.4574 0.4900 0.4168 0.0048 -0.0042 -0.0047 132 PHE A CG 403 C CD1 . PHE A 65 ? 0.4998 0.5315 0.4600 0.0047 -0.0043 -0.0046 132 PHE A CD1 404 C CD2 . PHE A 65 ? 0.4661 0.4995 0.4259 0.0048 -0.0045 -0.0052 132 PHE A CD2 405 C CE1 . PHE A 65 ? 0.4831 0.5146 0.4446 0.0048 -0.0048 -0.0050 132 PHE A CE1 406 C CE2 . PHE A 65 ? 0.4614 0.4945 0.4222 0.0048 -0.0050 -0.0056 132 PHE A CE2 407 C CZ . PHE A 65 ? 0.4562 0.4883 0.4180 0.0049 -0.0051 -0.0055 132 PHE A CZ 408 N N . ALA A 66 ? 0.4925 0.5278 0.4508 0.0061 -0.0024 -0.0046 133 ALA A N 409 C CA . ALA A 66 ? 0.5102 0.5461 0.4688 0.0061 -0.0019 -0.0049 133 ALA A CA 410 C C . ALA A 66 ? 0.4753 0.5132 0.4343 0.0060 -0.0021 -0.0054 133 ALA A C 411 O O . ALA A 66 ? 0.4234 0.4622 0.3825 0.0063 -0.0027 -0.0055 133 ALA A O 412 C CB . ALA A 66 ? 0.4982 0.5340 0.4570 0.0072 -0.0013 -0.0046 133 ALA A CB 413 N N . LEU A 67 ? 0.4005 0.4391 0.3599 0.0055 -0.0016 -0.0060 134 LEU A N 414 C CA . LEU A 67 ? 0.4055 0.4463 0.3657 0.0054 -0.0018 -0.0066 134 LEU A CA 415 C C . LEU A 67 ? 0.4271 0.4695 0.3886 0.0069 -0.0016 -0.0066 134 LEU A C 416 O O . LEU A 67 ? 0.3998 0.4422 0.3621 0.0074 -0.0009 -0.0069 134 LEU A O 417 C CB . LEU A 67 ? 0.4414 0.4824 0.4014 0.0038 -0.0013 -0.0074 134 LEU A CB 418 C CG . LEU A 67 ? 0.4135 0.4526 0.3719 0.0020 -0.0017 -0.0073 134 LEU A CG 419 C CD1 . LEU A 67 ? 0.4471 0.4861 0.4047 0.0002 -0.0011 -0.0080 134 LEU A CD1 420 C CD2 . LEU A 67 ? 0.4330 0.4721 0.3910 0.0017 -0.0026 -0.0071 134 LEU A CD2 421 N N . GLY A 68 ? 0.4344 0.4781 0.3962 0.0077 -0.0023 -0.0064 135 GLY A N 422 C CA . GLY A 68 ? 0.4268 0.4722 0.3899 0.0092 -0.0025 -0.0063 135 GLY A CA 423 C C . GLY A 68 ? 0.4275 0.4753 0.3924 0.0089 -0.0023 -0.0073 135 GLY A C 424 O O . GLY A 68 ? 0.4686 0.5169 0.4332 0.0075 -0.0020 -0.0081 135 GLY A O 425 N N . GLN A 69 ? 0.4718 0.5209 0.4383 0.0104 -0.0024 -0.0073 136 GLN A N 426 C CA . GLN A 69 ? 0.4347 0.4867 0.4037 0.0105 -0.0023 -0.0083 136 GLN A CA 427 C C . GLN A 69 ? 0.4614 0.5158 0.4313 0.0114 -0.0035 -0.0081 136 GLN A C 428 O O . GLN A 69 ? 0.4181 0.4751 0.3906 0.0121 -0.0036 -0.0087 136 GLN A O 429 C CB . GLN A 69 ? 0.4574 0.5092 0.4282 0.0116 -0.0015 -0.0086 136 GLN A CB 430 C CG . GLN A 69 ? 0.5243 0.5741 0.4941 0.0104 -0.0002 -0.0091 136 GLN A CG 431 C CD . GLN A 69 ? 0.5277 0.5792 0.4983 0.0087 0.0006 -0.0107 136 GLN A CD 432 O OE1 . GLN A 69 ? 0.5511 0.6051 0.5225 0.0083 0.0002 -0.0113 136 GLN A OE1 433 N NE2 . GLN A 69 ? 0.5475 0.5977 0.5177 0.0077 0.0019 -0.0114 136 GLN A NE2 434 N N . GLY A 70 ? 0.4791 0.5328 0.4472 0.0113 -0.0043 -0.0073 137 GLY A N 435 C CA . GLY A 70 ? 0.4288 0.4848 0.3973 0.0117 -0.0055 -0.0071 137 GLY A CA 436 C C . GLY A 70 ? 0.4043 0.4611 0.3741 0.0136 -0.0065 -0.0063 137 GLY A C 437 O O . GLY A 70 ? 0.5069 0.5663 0.4781 0.0141 -0.0075 -0.0063 137 GLY A O 438 N N . THR A 71 ? 0.4103 0.4647 0.3796 0.0146 -0.0062 -0.0054 138 THR A N 439 C CA . THR A 71 ? 0.4314 0.4859 0.4019 0.0164 -0.0071 -0.0045 138 THR A CA 440 C C . THR A 71 ? 0.4272 0.4782 0.3959 0.0170 -0.0068 -0.0034 138 THR A C 441 O O . THR A 71 ? 0.4284 0.4773 0.3959 0.0161 -0.0056 -0.0037 138 THR A O 442 C CB . THR A 71 ? 0.4484 0.5048 0.4226 0.0175 -0.0069 -0.0055 138 THR A CB 443 O OG1 . THR A 71 ? 0.4477 0.5039 0.4232 0.0194 -0.0080 -0.0045 138 THR A OG1 444 C CG2 . THR A 71 ? 0.4510 0.5059 0.4257 0.0169 -0.0051 -0.0064 138 THR A CG2 445 N N . THR A 72 ? 0.4685 0.5188 0.4370 0.0183 -0.0079 -0.0022 139 THR A N 446 C CA . THR A 72 ? 0.4629 0.5100 0.4301 0.0190 -0.0077 -0.0011 139 THR A CA 447 C C . THR A 72 ? 0.4849 0.5318 0.4550 0.0204 -0.0073 -0.0015 139 THR A C 448 O O . THR A 72 ? 0.4892 0.5387 0.4623 0.0209 -0.0073 -0.0026 139 THR A O 449 C CB . THR A 72 ? 0.5080 0.5540 0.4731 0.0196 -0.0091 0.0005 139 THR A CB 450 O OG1 . THR A 72 ? 0.5671 0.6155 0.5338 0.0206 -0.0108 0.0008 139 THR A OG1 451 C CG2 . THR A 72 ? 0.5507 0.5960 0.5126 0.0181 -0.0089 0.0006 139 THR A CG2 452 N N . LEU A 73 ? 0.4745 0.5184 0.4438 0.0210 -0.0068 -0.0008 140 LEU A N 453 C CA . LEU A 73 ? 0.4585 0.5018 0.4304 0.0221 -0.0060 -0.0014 140 LEU A CA 454 C C . LEU A 73 ? 0.4712 0.5150 0.4453 0.0241 -0.0075 -0.0007 140 LEU A C 455 O O . LEU A 73 ? 0.5123 0.5578 0.4901 0.0251 -0.0073 -0.0018 140 LEU A O 456 C CB . LEU A 73 ? 0.3811 0.4207 0.3508 0.0216 -0.0049 -0.0010 140 LEU A CB 457 C CG . LEU A 73 ? 0.3991 0.4363 0.3700 0.0225 -0.0039 -0.0012 140 LEU A CG 458 C CD1 . LEU A 73 ? 0.4298 0.4676 0.4041 0.0246 -0.0046 -0.0013 140 LEU A CD1 459 C CD2 . LEU A 73 ? 0.4120 0.4487 0.3829 0.0211 -0.0020 -0.0026 140 LEU A CD2 460 N N . ASN A 74 ? 0.4260 0.4683 0.3980 0.0247 -0.0090 0.0010 141 ASN A N 461 C CA . ASN A 74 ? 0.4687 0.5115 0.4428 0.0267 -0.0109 0.0019 141 ASN A CA 462 C C . ASN A 74 ? 0.5229 0.5695 0.4983 0.0268 -0.0125 0.0018 141 ASN A C 463 O O . ASN A 74 ? 0.5881 0.6348 0.5611 0.0265 -0.0140 0.0031 141 ASN A O 464 C CB . ASN A 74 ? 0.4074 0.4465 0.3782 0.0270 -0.0120 0.0041 141 ASN A CB 465 C CG . ASN A 74 ? 0.4540 0.4927 0.4268 0.0292 -0.0140 0.0053 141 ASN A CG 466 O OD1 . ASN A 74 ? 0.4072 0.4479 0.3845 0.0307 -0.0144 0.0044 141 ASN A OD1 467 N ND2 . ASN A 74 ? 0.4220 0.4580 0.3916 0.0293 -0.0155 0.0073 141 ASN A ND2 468 N N . ASN A 75 ? 0.4635 0.5135 0.4426 0.0268 -0.0118 0.0000 142 ASN A N 469 C CA . ASN A 75 ? 0.4811 0.5351 0.4614 0.0262 -0.0126 -0.0007 142 ASN A CA 470 C C . ASN A 75 ? 0.5123 0.5692 0.4973 0.0267 -0.0115 -0.0028 142 ASN A C 471 O O . ASN A 75 ? 0.5433 0.5993 0.5286 0.0260 -0.0095 -0.0040 142 ASN A O 472 C CB . ASN A 75 ? 0.5192 0.5732 0.4961 0.0239 -0.0115 -0.0011 142 ASN A CB 473 C CG . ASN A 75 ? 0.4963 0.5538 0.4736 0.0230 -0.0124 -0.0017 142 ASN A CG 474 O OD1 . ASN A 75 ? 0.5471 0.6080 0.5279 0.0235 -0.0126 -0.0028 142 ASN A OD1 475 N ND2 . ASN A 75 ? 0.5314 0.5884 0.5051 0.0215 -0.0126 -0.0012 142 ASN A ND2 476 N N . LYS A 76 ? 0.4831 0.5437 0.4717 0.0277 -0.0128 -0.0032 143 LYS A N 477 C CA . LYS A 76 ? 0.5324 0.5961 0.5257 0.0280 -0.0117 -0.0054 143 LYS A CA 478 C C . LYS A 76 ? 0.5065 0.5717 0.4991 0.0257 -0.0097 -0.0072 143 LYS A C 479 O O . LYS A 76 ? 0.4921 0.5585 0.4874 0.0255 -0.0080 -0.0091 143 LYS A O 480 C CB . LYS A 76 ? 0.5437 0.6114 0.5412 0.0295 -0.0136 -0.0057 143 LYS A CB 481 C CG . LYS A 76 ? 0.6095 0.6755 0.6090 0.0321 -0.0153 -0.0043 143 LYS A CG 482 C CD . LYS A 76 ? 0.7238 0.7935 0.7272 0.0337 -0.0178 -0.0040 143 LYS A CD 483 C CE . LYS A 76 ? 0.8370 0.9041 0.8416 0.0363 -0.0197 -0.0023 143 LYS A CE 484 N NZ . LYS A 76 ? 0.9611 1.0315 0.9694 0.0379 -0.0226 -0.0017 143 LYS A NZ 485 N N . HIS A 77 ? 0.4505 0.5152 0.4392 0.0239 -0.0097 -0.0067 144 HIS A N 486 C CA . HIS A 77 ? 0.4599 0.5255 0.4476 0.0217 -0.0080 -0.0082 144 HIS A CA 487 C C . HIS A 77 ? 0.4910 0.5533 0.4769 0.0208 -0.0060 -0.0086 144 HIS A C 488 O O . HIS A 77 ? 0.4902 0.5529 0.4753 0.0190 -0.0046 -0.0098 144 HIS A O 489 C CB . HIS A 77 ? 0.4676 0.5334 0.4520 0.0200 -0.0085 -0.0077 144 HIS A CB 490 C CG . HIS A 77 ? 0.4640 0.5332 0.4496 0.0203 -0.0103 -0.0076 144 HIS A CG 491 N ND1 . HIS A 77 ? 0.4746 0.5433 0.4592 0.0214 -0.0123 -0.0059 144 HIS A ND1 492 C CD2 . HIS A 77 ? 0.4588 0.5318 0.4464 0.0194 -0.0103 -0.0089 144 HIS A CD2 493 C CE1 . HIS A 77 ? 0.5114 0.5836 0.4974 0.0212 -0.0136 -0.0062 144 HIS A CE1 494 N NE2 . HIS A 77 ? 0.4745 0.5493 0.4623 0.0201 -0.0124 -0.0081 144 HIS A NE2 495 N N . SER A 78 ? 0.4639 0.5230 0.4490 0.0220 -0.0060 -0.0075 145 SER A N 496 C CA . SER A 78 ? 0.5025 0.5588 0.4862 0.0211 -0.0042 -0.0080 145 SER A CA 497 C C . SER A 78 ? 0.4801 0.5378 0.4672 0.0211 -0.0025 -0.0100 145 SER A C 498 O O . SER A 78 ? 0.4847 0.5406 0.4707 0.0200 -0.0008 -0.0107 145 SER A O 499 C CB . SER A 78 ? 0.4259 0.4783 0.4077 0.0222 -0.0045 -0.0063 145 SER A CB 500 O OG . SER A 78 ? 0.4433 0.4956 0.4281 0.0243 -0.0050 -0.0062 145 SER A OG 501 N N . ASN A 79 ? 0.4824 0.5433 0.4739 0.0225 -0.0031 -0.0109 146 ASN A N 502 C CA . ASN A 79 ? 0.5615 0.6241 0.5567 0.0226 -0.0014 -0.0131 146 ASN A CA 503 C C . ASN A 79 ? 0.5754 0.6395 0.5696 0.0199 0.0002 -0.0147 146 ASN A C 504 O O . ASN A 79 ? 0.5510 0.6173 0.5445 0.0188 -0.0003 -0.0149 146 ASN A O 505 C CB . ASN A 79 ? 0.6362 0.7026 0.6365 0.0245 -0.0026 -0.0138 146 ASN A CB 506 C CG . ASN A 79 ? 0.6917 0.7598 0.6968 0.0252 -0.0010 -0.0160 146 ASN A CG 507 O OD1 . ASN A 79 ? 0.7371 0.8044 0.7417 0.0237 0.0012 -0.0176 146 ASN A OD1 508 N ND2 . ASN A 79 ? 0.8628 0.9334 0.8727 0.0276 -0.0022 -0.0163 146 ASN A ND2 509 N N . GLY A 80 ? 0.5637 0.6263 0.5574 0.0187 0.0022 -0.0160 147 GLY A N 510 C CA . GLY A 80 ? 0.5582 0.6222 0.5508 0.0160 0.0038 -0.0176 147 GLY A CA 511 C C . GLY A 80 ? 0.5630 0.6243 0.5505 0.0139 0.0038 -0.0165 147 GLY A C 512 O O . GLY A 80 ? 0.5650 0.6270 0.5511 0.0116 0.0047 -0.0175 147 GLY A O 513 N N . THR A 81 ? 0.5324 0.5905 0.5173 0.0146 0.0029 -0.0146 148 THR A N 514 C CA . THR A 81 ? 0.5373 0.5929 0.5179 0.0129 0.0028 -0.0136 148 THR A CA 515 C C . THR A 81 ? 0.5570 0.6102 0.5355 0.0110 0.0044 -0.0143 148 THR A C 516 O O . THR A 81 ? 0.5332 0.5843 0.5083 0.0095 0.0043 -0.0134 148 THR A O 517 C CB . THR A 81 ? 0.5452 0.5985 0.5238 0.0142 0.0013 -0.0115 148 THR A CB 518 O OG1 . THR A 81 ? 0.4993 0.5510 0.4792 0.0161 0.0013 -0.0110 148 THR A OG1 519 C CG2 . THR A 81 ? 0.6008 0.6564 0.5801 0.0150 -0.0002 -0.0108 148 THR A CG2 520 N N . ILE A 82 ? 0.5911 0.6450 0.5716 0.0107 0.0060 -0.0159 149 ILE A N 521 C CA . ILE A 82 ? 0.5681 0.6205 0.5465 0.0083 0.0077 -0.0169 149 ILE A CA 522 C C . ILE A 82 ? 0.5688 0.6222 0.5452 0.0057 0.0078 -0.0175 149 ILE A C 523 O O . ILE A 82 ? 0.5450 0.5962 0.5182 0.0036 0.0082 -0.0173 149 ILE A O 524 C CB . ILE A 82 ? 0.6337 0.6867 0.6147 0.0084 0.0096 -0.0189 149 ILE A CB 525 C CG1 . ILE A 82 ? 0.6436 0.6942 0.6215 0.0058 0.0112 -0.0196 149 ILE A CG1 526 C CG2 . ILE A 82 ? 0.5917 0.6489 0.5764 0.0083 0.0102 -0.0209 149 ILE A CG2 527 C CD1 . ILE A 82 ? 0.6442 0.6946 0.6241 0.0059 0.0131 -0.0214 149 ILE A CD1 528 N N . HIS A 83 ? 0.5863 0.6430 0.5646 0.0057 0.0074 -0.0182 150 HIS A N 529 C CA . HIS A 83 ? 0.6243 0.6819 0.6007 0.0032 0.0074 -0.0186 150 HIS A CA 530 C C . HIS A 83 ? 0.6331 0.6880 0.6057 0.0025 0.0060 -0.0167 150 HIS A C 531 O O . HIS A 83 ? 0.7004 0.7546 0.6728 0.0042 0.0046 -0.0152 150 HIS A O 532 C CB . HIS A 83 ? 0.6901 0.7518 0.6694 0.0035 0.0071 -0.0196 150 HIS A CB 533 C CG . HIS A 83 ? 1.0586 1.1232 1.0420 0.0041 0.0086 -0.0217 150 HIS A CG 534 N ND1 . HIS A 83 ? 1.2435 1.3081 1.2267 0.0020 0.0107 -0.0236 150 HIS A ND1 535 C CD2 . HIS A 83 ? 1.1365 1.2040 1.1245 0.0065 0.0082 -0.0223 150 HIS A CD2 536 C CE1 . HIS A 83 ? 1.2362 1.3037 1.2239 0.0032 0.0117 -0.0254 150 HIS A CE1 537 N NE2 . HIS A 83 ? 1.2757 1.3450 1.2665 0.0060 0.0102 -0.0246 150 HIS A NE2 538 N N . ASP A 84 ? 0.5880 0.6414 0.5576 0.0000 0.0065 -0.0169 151 ASP A N 539 C CA . ASP A 84 ? 0.5738 0.6244 0.5400 -0.0009 0.0052 -0.0153 151 ASP A CA 540 C C . ASP A 84 ? 0.5296 0.5812 0.4952 -0.0012 0.0039 -0.0148 151 ASP A C 541 O O . ASP A 84 ? 0.4940 0.5437 0.4579 -0.0009 0.0027 -0.0134 151 ASP A O 542 C CB . ASP A 84 ? 0.7036 0.7519 0.6667 -0.0036 0.0059 -0.0155 151 ASP A CB 543 C CG . ASP A 84 ? 0.7473 0.7941 0.7103 -0.0038 0.0072 -0.0160 151 ASP A CG 544 O OD1 . ASP A 84 ? 0.7017 0.7476 0.6656 -0.0018 0.0071 -0.0153 151 ASP A OD1 545 O OD2 . ASP A 84 ? 0.9057 0.9522 0.8674 -0.0061 0.0085 -0.0172 151 ASP A OD2 546 N N . ARG A 85 ? 0.4987 0.5531 0.4656 -0.0021 0.0043 -0.0160 152 ARG A N 547 C CA . ARG A 85 ? 0.5199 0.5747 0.4856 -0.0030 0.0033 -0.0157 152 ARG A CA 548 C C . ARG A 85 ? 0.5099 0.5683 0.4784 -0.0019 0.0029 -0.0163 152 ARG A C 549 O O . ARG A 85 ? 0.5505 0.6116 0.5207 -0.0027 0.0038 -0.0178 152 ARG A O 550 C CB . ARG A 85 ? 0.5010 0.5547 0.4641 -0.0062 0.0038 -0.0163 152 ARG A CB 551 C CG . ARG A 85 ? 0.4976 0.5473 0.4576 -0.0073 0.0037 -0.0153 152 ARG A CG 552 C CD . ARG A 85 ? 0.5082 0.5563 0.4651 -0.0106 0.0039 -0.0155 152 ARG A CD 553 N NE . ARG A 85 ? 0.5213 0.5717 0.4790 -0.0122 0.0056 -0.0174 152 ARG A NE 554 C CZ . ARG A 85 ? 0.5230 0.5734 0.4809 -0.0128 0.0072 -0.0184 152 ARG A CZ 555 N NH1 . ARG A 85 ? 0.5348 0.5830 0.4920 -0.0121 0.0072 -0.0176 152 ARG A NH1 556 N NH2 . ARG A 85 ? 0.5835 0.6364 0.5424 -0.0144 0.0088 -0.0204 152 ARG A NH2 557 N N . ILE A 86 ? 0.5245 0.5831 0.4935 0.0000 0.0015 -0.0152 153 ILE A N 558 C CA . ILE A 86 ? 0.4901 0.5519 0.4611 0.0008 0.0008 -0.0155 153 ILE A CA 559 C C . ILE A 86 ? 0.4764 0.5370 0.4455 0.0006 -0.0004 -0.0144 153 ILE A C 560 O O . ILE A 86 ? 0.4929 0.5504 0.4597 0.0005 -0.0009 -0.0133 153 ILE A O 561 C CB . ILE A 86 ? 0.5688 0.6324 0.5429 0.0035 0.0004 -0.0153 153 ILE A CB 562 C CG1 . ILE A 86 ? 0.5596 0.6205 0.5325 0.0052 -0.0003 -0.0136 153 ILE A CG1 563 C CG2 . ILE A 86 ? 0.5113 0.5765 0.4882 0.0038 0.0018 -0.0167 153 ILE A CG2 564 C CD1 . ILE A 86 ? 0.5683 0.6305 0.5436 0.0077 -0.0011 -0.0131 153 ILE A CD1 565 N N . PRO A 87 ? 0.5044 0.5676 0.4743 0.0004 -0.0010 -0.0149 154 PRO A N 566 C CA . PRO A 87 ? 0.4891 0.5511 0.4570 0.0000 -0.0021 -0.0142 154 PRO A CA 567 C C . PRO A 87 ? 0.4406 0.5014 0.4081 0.0019 -0.0031 -0.0128 154 PRO A C 568 O O . PRO A 87 ? 0.4513 0.5105 0.4170 0.0015 -0.0038 -0.0122 154 PRO A O 569 C CB . PRO A 87 ? 0.5285 0.5941 0.4979 -0.0006 -0.0024 -0.0152 154 PRO A CB 570 C CG . PRO A 87 ? 0.5220 0.5904 0.4939 -0.0010 -0.0013 -0.0166 154 PRO A CG 571 C CD . PRO A 87 ? 0.5092 0.5765 0.4821 0.0003 -0.0007 -0.0163 154 PRO A CD 572 N N . HIS A 88 ? 0.3982 0.4598 0.3675 0.0039 -0.0032 -0.0124 155 HIS A N 573 C CA . HIS A 88 ? 0.4506 0.5111 0.4193 0.0055 -0.0041 -0.0112 155 HIS A CA 574 C C . HIS A 88 ? 0.4303 0.4872 0.3972 0.0058 -0.0038 -0.0102 155 HIS A C 575 O O . HIS A 88 ? 0.4185 0.4743 0.3846 0.0069 -0.0044 -0.0092 155 HIS A O 576 C CB . HIS A 88 ? 0.4471 0.5099 0.4183 0.0075 -0.0046 -0.0110 155 HIS A CB 577 C CG . HIS A 88 ? 0.5219 0.5886 0.4955 0.0071 -0.0048 -0.0122 155 HIS A CG 578 N ND1 . HIS A 88 ? 0.5547 0.6228 0.5275 0.0061 -0.0055 -0.0125 155 HIS A ND1 579 C CD2 . HIS A 88 ? 0.5203 0.5896 0.4968 0.0073 -0.0042 -0.0133 155 HIS A CD2 580 C CE1 . HIS A 88 ? 0.5818 0.6534 0.5571 0.0057 -0.0054 -0.0137 155 HIS A CE1 581 N NE2 . HIS A 88 ? 0.5300 0.6025 0.5077 0.0064 -0.0046 -0.0143 155 HIS A NE2 582 N N . ARG A 89 ? 0.4159 0.4711 0.3820 0.0046 -0.0029 -0.0105 156 ARG A N 583 C CA . ARG A 89 ? 0.4056 0.4576 0.3701 0.0048 -0.0027 -0.0096 156 ARG A CA 584 C C . ARG A 89 ? 0.3894 0.4397 0.3521 0.0042 -0.0034 -0.0091 156 ARG A C 585 O O . ARG A 89 ? 0.3726 0.4228 0.3345 0.0027 -0.0036 -0.0096 156 ARG A O 586 C CB . ARG A 89 ? 0.4295 0.4800 0.3935 0.0035 -0.0017 -0.0101 156 ARG A CB 587 C CG . ARG A 89 ? 0.4908 0.5429 0.4568 0.0041 -0.0008 -0.0108 156 ARG A CG 588 C CD . ARG A 89 ? 0.4672 0.5172 0.4324 0.0034 0.0001 -0.0110 156 ARG A CD 589 N NE . ARG A 89 ? 0.5353 0.5831 0.4999 0.0046 0.0000 -0.0099 156 ARG A NE 590 C CZ . ARG A 89 ? 0.5675 0.6134 0.5314 0.0041 0.0008 -0.0099 156 ARG A CZ 591 N NH1 . ARG A 89 ? 0.5016 0.5475 0.4652 0.0025 0.0018 -0.0109 156 ARG A NH1 592 N NH2 . ARG A 89 ? 0.4921 0.5360 0.4555 0.0051 0.0007 -0.0090 156 ARG A NH2 593 N N . THR A 90 ? 0.3729 0.4215 0.3349 0.0052 -0.0037 -0.0082 157 THR A N 594 C CA . THR A 90 ? 0.4474 0.4944 0.4081 0.0048 -0.0042 -0.0078 157 THR A CA 595 C C . THR A 90 ? 0.4326 0.4771 0.3927 0.0051 -0.0039 -0.0072 157 THR A C 596 O O . THR A 90 ? 0.4444 0.4885 0.4048 0.0059 -0.0035 -0.0068 157 THR A O 597 C CB . THR A 90 ? 0.4494 0.4975 0.4100 0.0057 -0.0048 -0.0076 157 THR A CB 598 O OG1 . THR A 90 ? 0.4527 0.5011 0.4137 0.0072 -0.0048 -0.0069 157 THR A OG1 599 C CG2 . THR A 90 ? 0.4639 0.5146 0.4251 0.0052 -0.0052 -0.0083 157 THR A CG2 600 N N . LEU A 91 ? 0.4114 0.4541 0.3706 0.0044 -0.0042 -0.0071 158 LEU A N 601 C CA . LEU A 91 ? 0.4191 0.4598 0.3780 0.0046 -0.0041 -0.0065 158 LEU A CA 602 C C . LEU A 91 ? 0.3715 0.4122 0.3304 0.0058 -0.0041 -0.0061 158 LEU A C 603 O O . LEU A 91 ? 0.4090 0.4500 0.3677 0.0058 -0.0044 -0.0064 158 LEU A O 604 C CB . LEU A 91 ? 0.4190 0.4578 0.3774 0.0035 -0.0046 -0.0066 158 LEU A CB 605 C CG . LEU A 91 ? 0.4292 0.4660 0.3876 0.0037 -0.0047 -0.0061 158 LEU A CG 606 C CD1 . LEU A 91 ? 0.4444 0.4805 0.4026 0.0037 -0.0042 -0.0057 158 LEU A CD1 607 C CD2 . LEU A 91 ? 0.4428 0.4780 0.4012 0.0026 -0.0055 -0.0062 158 LEU A CD2 608 N N . LEU A 92 ? 0.3787 0.4189 0.3376 0.0066 -0.0037 -0.0056 159 LEU A N 609 C CA . LEU A 92 ? 0.4486 0.4883 0.4070 0.0075 -0.0035 -0.0051 159 LEU A CA 610 C C . LEU A 92 ? 0.4751 0.5131 0.4334 0.0072 -0.0033 -0.0050 159 LEU A C 611 O O . LEU A 92 ? 0.4631 0.4999 0.4216 0.0067 -0.0032 -0.0049 159 LEU A O 612 C CB . LEU A 92 ? 0.4737 0.5135 0.4321 0.0085 -0.0032 -0.0046 159 LEU A CB 613 C CG . LEU A 92 ? 0.5408 0.5825 0.5000 0.0090 -0.0034 -0.0047 159 LEU A CG 614 C CD1 . LEU A 92 ? 0.4941 0.5354 0.4536 0.0101 -0.0032 -0.0041 159 LEU A CD1 615 C CD2 . LEU A 92 ? 0.5427 0.5862 0.5017 0.0092 -0.0041 -0.0047 159 LEU A CD2 616 N N . MET A 93 ? 0.4333 0.4713 0.3914 0.0074 -0.0033 -0.0051 160 MET A N 617 C CA . MET A 93 ? 0.4575 0.4942 0.4159 0.0071 -0.0030 -0.0052 160 MET A CA 618 C C . MET A 93 ? 0.4657 0.5024 0.4234 0.0076 -0.0025 -0.0051 160 MET A C 619 O O . MET A 93 ? 0.5156 0.5532 0.4726 0.0076 -0.0025 -0.0052 160 MET A O 620 C CB . MET A 93 ? 0.4558 0.4925 0.4151 0.0065 -0.0035 -0.0060 160 MET A CB 621 C CG . MET A 93 ? 0.4522 0.4879 0.4125 0.0064 -0.0033 -0.0064 160 MET A CG 622 S SD . MET A 93 ? 0.5004 0.5359 0.4620 0.0059 -0.0040 -0.0073 160 MET A SD 623 C CE . MET A 93 ? 0.5227 0.5572 0.4863 0.0060 -0.0039 -0.0077 160 MET A CE 624 N N . SER A 94 ? 0.4931 0.5287 0.4508 0.0076 -0.0020 -0.0047 161 SER A N 625 C CA . SER A 94 ? 0.4723 0.5075 0.4289 0.0078 -0.0013 -0.0045 161 SER A CA 626 C C . SER A 94 ? 0.4868 0.5210 0.4442 0.0074 -0.0008 -0.0047 161 SER A C 627 O O . SER A 94 ? 0.5586 0.5922 0.5170 0.0073 -0.0010 -0.0046 161 SER A O 628 C CB . SER A 94 ? 0.5416 0.5767 0.4971 0.0085 -0.0013 -0.0035 161 SER A CB 629 O OG . SER A 94 ? 0.5550 0.5889 0.5094 0.0086 -0.0007 -0.0030 161 SER A OG 630 N N . GLU A 95 ? 0.4409 0.4751 0.3979 0.0072 -0.0001 -0.0050 162 GLU A N 631 C CA . GLU A 95 ? 0.4913 0.5248 0.4493 0.0068 0.0003 -0.0053 162 GLU A CA 632 C C . GLU A 95 ? 0.4670 0.4993 0.4243 0.0070 0.0005 -0.0044 162 GLU A C 633 O O . GLU A 95 ? 0.4266 0.4585 0.3823 0.0074 0.0006 -0.0036 162 GLU A O 634 C CB . GLU A 95 ? 0.5225 0.5563 0.4798 0.0064 0.0014 -0.0058 162 GLU A CB 635 C CG . GLU A 95 ? 0.5840 0.6189 0.5420 0.0061 0.0015 -0.0069 162 GLU A CG 636 C CD . GLU A 95 ? 0.6957 0.7310 0.6533 0.0053 0.0028 -0.0078 162 GLU A CD 637 O OE1 . GLU A 95 ? 0.7466 0.7813 0.7038 0.0049 0.0035 -0.0076 162 GLU A OE1 638 O OE2 . GLU A 95 ? 0.9302 0.9664 0.8880 0.0050 0.0031 -0.0088 162 GLU A OE2 639 N N . LEU A 96 ? 0.4303 0.4621 0.3889 0.0066 0.0005 -0.0045 163 LEU A N 640 C CA . LEU A 96 ? 0.4438 0.4743 0.4017 0.0065 0.0007 -0.0038 163 LEU A CA 641 C C . LEU A 96 ? 0.4511 0.4808 0.4073 0.0066 0.0016 -0.0033 163 LEU A C 642 O O . LEU A 96 ? 0.5158 0.5456 0.4719 0.0061 0.0023 -0.0037 163 LEU A O 643 C CB . LEU A 96 ? 0.4839 0.5141 0.4434 0.0059 0.0006 -0.0041 163 LEU A CB 644 C CG . LEU A 96 ? 0.4719 0.5008 0.4308 0.0056 0.0007 -0.0036 163 LEU A CG 645 C CD1 . LEU A 96 ? 0.4371 0.4656 0.3953 0.0058 0.0002 -0.0032 163 LEU A CD1 646 C CD2 . LEU A 96 ? 0.4636 0.4923 0.4239 0.0049 0.0004 -0.0039 163 LEU A CD2 647 N N . GLY A 97 ? 0.4470 0.4757 0.4018 0.0071 0.0017 -0.0025 164 GLY A N 648 C CA . GLY A 97 ? 0.4533 0.4807 0.4062 0.0072 0.0023 -0.0018 164 GLY A CA 649 C C . GLY A 97 ? 0.4765 0.5042 0.4279 0.0077 0.0020 -0.0013 164 GLY A C 650 O O . GLY A 97 ? 0.4164 0.4427 0.3660 0.0079 0.0022 -0.0004 164 GLY A O 651 N N . VAL A 98 ? 0.4523 0.4816 0.4043 0.0079 0.0014 -0.0018 165 VAL A N 652 C CA . VAL A 98 ? 0.4625 0.4923 0.4130 0.0083 0.0010 -0.0013 165 VAL A CA 653 C C . VAL A 98 ? 0.4930 0.5231 0.4443 0.0093 0.0002 -0.0009 165 VAL A C 654 O O . VAL A 98 ? 0.5022 0.5335 0.4550 0.0093 -0.0001 -0.0015 165 VAL A O 655 C CB . VAL A 98 ? 0.4643 0.4957 0.4150 0.0079 0.0008 -0.0021 165 VAL A CB 656 C CG1 . VAL A 98 ? 0.4728 0.5048 0.4219 0.0083 0.0001 -0.0015 165 VAL A CG1 657 C CG2 . VAL A 98 ? 0.5024 0.5335 0.4525 0.0068 0.0018 -0.0027 165 VAL A CG2 658 N N . PRO A 99 ? 0.5365 0.5657 0.4868 0.0100 0.0000 0.0000 166 PRO A N 659 C CA . PRO A 99 ? 0.5372 0.5670 0.4887 0.0110 -0.0006 0.0001 166 PRO A CA 660 C C . PRO A 99 ? 0.5422 0.5743 0.4944 0.0112 -0.0015 -0.0002 166 PRO A C 661 O O . PRO A 99 ? 0.4869 0.5198 0.4382 0.0108 -0.0017 -0.0003 166 PRO A O 662 C CB . PRO A 99 ? 0.5380 0.5663 0.4885 0.0119 -0.0008 0.0012 166 PRO A CB 663 C CG . PRO A 99 ? 0.5879 0.6145 0.5360 0.0113 -0.0005 0.0019 166 PRO A CG 664 C CD . PRO A 99 ? 0.5498 0.5773 0.4978 0.0100 0.0001 0.0010 166 PRO A CD 665 N N . PHE A 100 ? 0.4735 0.5066 0.4273 0.0118 -0.0018 -0.0004 167 PHE A N 666 C CA . PHE A 100 ? 0.4294 0.4646 0.3839 0.0118 -0.0025 -0.0009 167 PHE A CA 667 C C . PHE A 100 ? 0.4415 0.4774 0.3955 0.0127 -0.0034 -0.0001 167 PHE A C 668 O O . PHE A 100 ? 0.4744 0.5110 0.4297 0.0137 -0.0039 0.0000 167 PHE A O 669 C CB . PHE A 100 ? 0.4212 0.4574 0.3776 0.0118 -0.0024 -0.0016 167 PHE A CB 670 C CG . PHE A 100 ? 0.4438 0.4794 0.4006 0.0108 -0.0019 -0.0022 167 PHE A CG 671 C CD1 . PHE A 100 ? 0.4516 0.4876 0.4082 0.0099 -0.0020 -0.0027 167 PHE A CD1 672 C CD2 . PHE A 100 ? 0.3957 0.4303 0.3530 0.0106 -0.0013 -0.0024 167 PHE A CD2 673 C CE1 . PHE A 100 ? 0.4546 0.4900 0.4118 0.0091 -0.0019 -0.0032 167 PHE A CE1 674 C CE2 . PHE A 100 ? 0.4137 0.4477 0.3712 0.0095 -0.0011 -0.0029 167 PHE A CE2 675 C CZ . PHE A 100 ? 0.4875 0.5219 0.4450 0.0088 -0.0015 -0.0032 167 PHE A CZ 676 N N . HIS A 101 ? 0.4611 0.4969 0.4132 0.0124 -0.0037 0.0002 168 HIS A N 677 C CA . HIS A 101 ? 0.4593 0.4956 0.4104 0.0130 -0.0048 0.0011 168 HIS A CA 678 C C . HIS A 101 ? 0.5183 0.5572 0.4697 0.0126 -0.0056 0.0005 168 HIS A C 679 O O . HIS A 101 ? 0.5755 0.6155 0.5280 0.0119 -0.0052 -0.0005 168 HIS A O 680 C CB . HIS A 101 ? 0.4693 0.5037 0.4175 0.0124 -0.0047 0.0020 168 HIS A CB 681 C CG . HIS A 101 ? 0.4954 0.5299 0.4424 0.0110 -0.0039 0.0012 168 HIS A CG 682 N ND1 . HIS A 101 ? 0.5793 0.6152 0.5252 0.0103 -0.0043 0.0009 168 HIS A ND1 683 C CD2 . HIS A 101 ? 0.5319 0.5656 0.4791 0.0102 -0.0027 0.0005 168 HIS A CD2 684 C CE1 . HIS A 101 ? 0.5733 0.6091 0.5188 0.0092 -0.0033 0.0000 168 HIS A CE1 685 N NE2 . HIS A 101 ? 0.4839 0.5185 0.4304 0.0092 -0.0023 -0.0002 168 HIS A NE2 686 N N . LEU A 102 ? 0.5159 0.5556 0.4663 0.0129 -0.0068 0.0012 169 LEU A N 687 C CA . LEU A 102 ? 0.5237 0.5658 0.4743 0.0125 -0.0075 0.0007 169 LEU A CA 688 C C . LEU A 102 ? 0.5335 0.5761 0.4828 0.0110 -0.0069 -0.0002 169 LEU A C 689 O O . LEU A 102 ? 0.5582 0.6027 0.5081 0.0105 -0.0073 -0.0010 169 LEU A O 690 C CB . LEU A 102 ? 0.5754 0.6184 0.5250 0.0130 -0.0091 0.0018 169 LEU A CB 691 C CG . LEU A 102 ? 0.5833 0.6271 0.5353 0.0146 -0.0101 0.0023 169 LEU A CG 692 C CD1 . LEU A 102 ? 0.6582 0.7026 0.6092 0.0152 -0.0120 0.0036 169 LEU A CD1 693 C CD2 . LEU A 102 ? 0.5613 0.6078 0.5163 0.0148 -0.0100 0.0010 169 LEU A CD2 694 N N . GLY A 103 ? 0.5054 0.5463 0.4532 0.0102 -0.0059 -0.0003 170 GLY A N 695 C CA . GLY A 103 ? 0.4793 0.5206 0.4266 0.0089 -0.0051 -0.0015 170 GLY A CA 696 C C . GLY A 103 ? 0.5344 0.5755 0.4838 0.0088 -0.0043 -0.0026 170 GLY A C 697 O O . GLY A 103 ? 0.5450 0.5862 0.4945 0.0079 -0.0037 -0.0037 170 GLY A O 698 N N . THR A 104 ? 0.5114 0.5524 0.4627 0.0095 -0.0043 -0.0024 171 THR A N 699 C CA . THR A 104 ? 0.4546 0.4952 0.4075 0.0092 -0.0038 -0.0032 171 THR A CA 700 C C . THR A 104 ? 0.4740 0.5162 0.4279 0.0087 -0.0041 -0.0042 171 THR A C 701 O O . THR A 104 ? 0.4721 0.5159 0.4262 0.0089 -0.0049 -0.0042 171 THR A O 702 C CB . THR A 104 ? 0.4649 0.5050 0.4191 0.0100 -0.0038 -0.0028 171 THR A CB 703 O OG1 . THR A 104 ? 0.4852 0.5236 0.4386 0.0104 -0.0034 -0.0020 171 THR A OG1 704 C CG2 . THR A 104 ? 0.4985 0.5382 0.4541 0.0094 -0.0033 -0.0035 171 THR A CG2 705 N N . LYS A 105 ? 0.4405 0.4820 0.3949 0.0080 -0.0037 -0.0050 172 LYS A N 706 C CA . LYS A 105 ? 0.4826 0.5250 0.4379 0.0074 -0.0040 -0.0060 172 LYS A CA 707 C C . LYS A 105 ? 0.4859 0.5285 0.4424 0.0074 -0.0043 -0.0060 172 LYS A C 708 O O . LYS A 105 ? 0.4782 0.5196 0.4353 0.0075 -0.0040 -0.0057 172 LYS A O 709 C CB . LYS A 105 ? 0.4823 0.5237 0.4381 0.0067 -0.0035 -0.0069 172 LYS A CB 710 C CG . LYS A 105 ? 0.6077 0.6496 0.5641 0.0060 -0.0038 -0.0078 172 LYS A CG 711 C CD . LYS A 105 ? 0.6753 0.7162 0.6324 0.0056 -0.0033 -0.0088 172 LYS A CD 712 C CE . LYS A 105 ? 0.8865 0.9277 0.8440 0.0049 -0.0037 -0.0098 172 LYS A CE 713 N NZ . LYS A 105 ? 1.0202 1.0616 0.9773 0.0044 -0.0031 -0.0108 172 LYS A NZ 714 N N . GLN A 106 ? 0.4572 0.5014 0.4139 0.0071 -0.0048 -0.0064 173 GLN A N 715 C CA . GLN A 106 ? 0.4479 0.4924 0.4055 0.0066 -0.0050 -0.0067 173 GLN A CA 716 C C . GLN A 106 ? 0.4365 0.4803 0.3943 0.0056 -0.0050 -0.0075 173 GLN A C 717 O O . GLN A 106 ? 0.4238 0.4685 0.3813 0.0051 -0.0053 -0.0081 173 GLN A O 718 C CB . GLN A 106 ? 0.4297 0.4766 0.3878 0.0068 -0.0054 -0.0068 173 GLN A CB 719 C CG . GLN A 106 ? 0.4676 0.5151 0.4259 0.0080 -0.0055 -0.0060 173 GLN A CG 720 C CD . GLN A 106 ? 0.5067 0.5568 0.4658 0.0083 -0.0062 -0.0061 173 GLN A CD 721 O OE1 . GLN A 106 ? 0.4756 0.5269 0.4361 0.0082 -0.0061 -0.0065 173 GLN A OE1 722 N NE2 . GLN A 106 ? 0.4958 0.5469 0.4540 0.0085 -0.0069 -0.0058 173 GLN A NE2 723 N N . VAL A 107 ? 0.4403 0.4824 0.3986 0.0053 -0.0049 -0.0074 174 VAL A N 724 C CA . VAL A 107 ? 0.4397 0.4804 0.3982 0.0045 -0.0052 -0.0080 174 VAL A CA 725 C C . VAL A 107 ? 0.4533 0.4941 0.4117 0.0035 -0.0056 -0.0084 174 VAL A C 726 O O . VAL A 107 ? 0.4779 0.5179 0.4364 0.0028 -0.0059 -0.0090 174 VAL A O 727 C CB . VAL A 107 ? 0.5190 0.5577 0.4780 0.0047 -0.0051 -0.0076 174 VAL A CB 728 C CG1 . VAL A 107 ? 0.6318 0.6690 0.5913 0.0038 -0.0056 -0.0077 174 VAL A CG1 729 C CG2 . VAL A 107 ? 0.5905 0.6288 0.5499 0.0052 -0.0047 -0.0078 174 VAL A CG2 730 N N . CYS A 108 ? 0.4308 0.4726 0.3891 0.0032 -0.0056 -0.0082 175 CYS A N 731 C CA . CYS A 108 ? 0.4457 0.4878 0.4038 0.0019 -0.0059 -0.0087 175 CYS A CA 732 C C . CYS A 108 ? 0.4446 0.4884 0.4029 0.0019 -0.0055 -0.0087 175 CYS A C 733 O O . CYS A 108 ? 0.4428 0.4871 0.4015 0.0029 -0.0052 -0.0082 175 CYS A O 734 C CB . CYS A 108 ? 0.5389 0.5784 0.4967 0.0009 -0.0063 -0.0086 175 CYS A CB 735 S SG . CYS A 108 ? 0.6397 0.6780 0.5974 0.0010 -0.0061 -0.0078 175 CYS A SG 736 N N . ILE A 109 ? 0.4333 0.4780 0.3915 0.0007 -0.0056 -0.0092 176 ILE A N 737 C CA . ILE A 109 ? 0.4682 0.5149 0.4270 0.0005 -0.0051 -0.0095 176 ILE A CA 738 C C . ILE A 109 ? 0.4826 0.5274 0.4407 -0.0004 -0.0048 -0.0094 176 ILE A C 739 O O . ILE A 109 ? 0.5334 0.5763 0.4904 -0.0018 -0.0051 -0.0094 176 ILE A O 740 C CB . ILE A 109 ? 0.4559 0.5045 0.4147 -0.0005 -0.0052 -0.0104 176 ILE A CB 741 C CG1 . ILE A 109 ? 0.4776 0.5276 0.4366 0.0000 -0.0057 -0.0106 176 ILE A CG1 742 C CG2 . ILE A 109 ? 0.4584 0.5096 0.4185 -0.0005 -0.0046 -0.0109 176 ILE A CG2 743 C CD1 . ILE A 109 ? 0.4826 0.5346 0.4417 -0.0010 -0.0059 -0.0115 176 ILE A CD1 744 N N . ALA A 110 ? 0.4604 0.5056 0.4191 0.0000 -0.0042 -0.0092 177 ALA A N 745 C CA . ALA A 110 ? 0.4716 0.5148 0.4294 -0.0009 -0.0038 -0.0090 177 ALA A CA 746 C C . ALA A 110 ? 0.5006 0.5449 0.4592 -0.0005 -0.0029 -0.0093 177 ALA A C 747 O O . ALA A 110 ? 0.5174 0.5624 0.4771 0.0010 -0.0027 -0.0090 177 ALA A O 748 C CB . ALA A 110 ? 0.4542 0.4948 0.4113 -0.0006 -0.0043 -0.0082 177 ALA A CB 749 N N . TRP A 111 ? 0.4534 0.4976 0.4114 -0.0022 -0.0023 -0.0099 178 TRP A N 750 C CA . TRP A 111 ? 0.4492 0.4936 0.4076 -0.0022 -0.0012 -0.0102 178 TRP A CA 751 C C . TRP A 111 ? 0.4536 0.4950 0.4100 -0.0036 -0.0012 -0.0097 178 TRP A C 752 O O . TRP A 111 ? 0.4737 0.5149 0.4300 -0.0040 -0.0003 -0.0101 178 TRP A O 753 C CB . TRP A 111 ? 0.4218 0.4688 0.3814 -0.0029 -0.0002 -0.0116 178 TRP A CB 754 C CG . TRP A 111 ? 0.4493 0.4971 0.4080 -0.0050 -0.0001 -0.0124 178 TRP A CG 755 C CD1 . TRP A 111 ? 0.4445 0.4951 0.4046 -0.0050 -0.0001 -0.0132 178 TRP A CD1 756 C CD2 . TRP A 111 ? 0.4483 0.4940 0.4045 -0.0076 0.0000 -0.0125 178 TRP A CD2 757 N NE1 . TRP A 111 ? 0.4434 0.4937 0.4019 -0.0076 0.0000 -0.0138 178 TRP A NE1 758 C CE2 . TRP A 111 ? 0.4468 0.4940 0.4028 -0.0092 0.0001 -0.0134 178 TRP A CE2 759 C CE3 . TRP A 111 ? 0.4335 0.4762 0.3874 -0.0089 0.0000 -0.0118 178 TRP A CE3 760 C CZ2 . TRP A 111 ? 0.4724 0.5181 0.4258 -0.0121 0.0003 -0.0136 178 TRP A CZ2 761 C CZ3 . TRP A 111 ? 0.4488 0.4899 0.4002 -0.0117 0.0000 -0.0120 178 TRP A CZ3 762 C CH2 . TRP A 111 ? 0.4576 0.5001 0.4087 -0.0133 0.0001 -0.0129 178 TRP A CH2 763 N N . SER A 112 ? 0.4108 0.4499 0.3657 -0.0043 -0.0023 -0.0089 179 SER A N 764 C CA . SER A 112 ? 0.4477 0.4839 0.4010 -0.0052 -0.0027 -0.0082 179 SER A CA 765 C C . SER A 112 ? 0.4282 0.4629 0.3815 -0.0045 -0.0041 -0.0073 179 SER A C 766 O O . SER A 112 ? 0.4572 0.4923 0.4106 -0.0046 -0.0046 -0.0075 179 SER A O 767 C CB . SER A 112 ? 0.4732 0.5082 0.4242 -0.0079 -0.0026 -0.0085 179 SER A CB 768 O OG . SER A 112 ? 0.4689 0.5010 0.4182 -0.0089 -0.0033 -0.0076 179 SER A OG 769 N N . SER A 113 ? 0.4102 0.4431 0.3633 -0.0040 -0.0046 -0.0065 180 SER A N 770 C CA . SER A 113 ? 0.4248 0.4564 0.3785 -0.0032 -0.0057 -0.0059 180 SER A CA 771 C C . SER A 113 ? 0.4381 0.4675 0.3914 -0.0034 -0.0065 -0.0051 180 SER A C 772 O O . SER A 113 ? 0.4275 0.4564 0.3802 -0.0039 -0.0060 -0.0049 180 SER A O 773 C CB . SER A 113 ? 0.4290 0.4623 0.3844 -0.0012 -0.0054 -0.0061 180 SER A CB 774 O OG . SER A 113 ? 0.4621 0.4954 0.4180 -0.0001 -0.0048 -0.0057 180 SER A OG 775 N N . SER A 114 ? 0.4336 0.4619 0.3877 -0.0030 -0.0076 -0.0047 181 SER A N 776 C CA . SER A 114 ? 0.4860 0.5127 0.4406 -0.0027 -0.0085 -0.0041 181 SER A CA 777 C C . SER A 114 ? 0.4470 0.4740 0.4036 -0.0013 -0.0090 -0.0043 181 SER A C 778 O O . SER A 114 ? 0.4629 0.4903 0.4197 -0.0012 -0.0091 -0.0047 181 SER A O 779 C CB . SER A 114 ? 0.5692 0.5934 0.5223 -0.0045 -0.0098 -0.0034 181 SER A CB 780 O OG . SER A 114 ? 0.4593 0.4821 0.4134 -0.0042 -0.0110 -0.0027 181 SER A OG 781 N N . SER A 115 ? 0.4540 0.4809 0.4121 -0.0002 -0.0090 -0.0041 182 SER A N 782 C CA . SER A 115 ? 0.4481 0.4752 0.4082 0.0008 -0.0093 -0.0045 182 SER A CA 783 C C . SER A 115 ? 0.4738 0.4997 0.4354 0.0011 -0.0102 -0.0042 182 SER A C 784 O O . SER A 115 ? 0.4892 0.5146 0.4503 0.0007 -0.0103 -0.0036 182 SER A O 785 C CB . SER A 115 ? 0.4680 0.4971 0.4287 0.0021 -0.0079 -0.0050 182 SER A CB 786 O OG . SER A 115 ? 0.4618 0.4923 0.4214 0.0021 -0.0072 -0.0053 182 SER A OG 787 N N . CYS A 116 ? 0.4324 0.4580 0.3960 0.0016 -0.0109 -0.0046 183 CYS A N 788 C CA . CYS A 116 ? 0.4876 0.5125 0.4533 0.0021 -0.0117 -0.0045 183 CYS A CA 789 C C . CYS A 116 ? 0.4905 0.5158 0.4588 0.0031 -0.0118 -0.0054 183 CYS A C 790 O O . CYS A 116 ? 0.5107 0.5360 0.4787 0.0031 -0.0117 -0.0060 183 CYS A O 791 C CB . CYS A 116 ? 0.5165 0.5392 0.4817 0.0010 -0.0136 -0.0035 183 CYS A CB 792 S SG . CYS A 116 ? 0.6040 0.6247 0.5676 -0.0001 -0.0150 -0.0031 183 CYS A SG 793 N N . HIS A 117 ? 0.4531 0.4788 0.4240 0.0038 -0.0119 -0.0058 184 HIS A N 794 C CA . HIS A 117 ? 0.4558 0.4820 0.4296 0.0048 -0.0118 -0.0070 184 HIS A CA 795 C C . HIS A 117 ? 0.4775 0.5021 0.4539 0.0049 -0.0138 -0.0067 184 HIS A C 796 O O . HIS A 117 ? 0.4178 0.4421 0.3946 0.0046 -0.0146 -0.0059 184 HIS A O 797 C CB . HIS A 117 ? 0.4617 0.4898 0.4365 0.0055 -0.0102 -0.0077 184 HIS A CB 798 C CG . HIS A 117 ? 0.4905 0.5197 0.4676 0.0062 -0.0093 -0.0092 184 HIS A CG 799 N ND1 . HIS A 117 ? 0.5482 0.5773 0.5290 0.0068 -0.0100 -0.0101 184 HIS A ND1 800 C CD2 . HIS A 117 ? 0.5114 0.5418 0.4876 0.0064 -0.0078 -0.0101 184 HIS A CD2 801 C CE1 . HIS A 117 ? 0.5252 0.5554 0.5073 0.0073 -0.0087 -0.0116 184 HIS A CE1 802 N NE2 . HIS A 117 ? 0.4934 0.5244 0.4726 0.0070 -0.0075 -0.0116 184 HIS A NE2 803 N N . ASP A 118 ? 0.4714 0.4950 0.4494 0.0052 -0.0146 -0.0073 185 ASP A N 804 C CA . ASP A 118 ? 0.4795 0.5013 0.4602 0.0054 -0.0168 -0.0070 185 ASP A CA 805 C C . ASP A 118 ? 0.5229 0.5459 0.5083 0.0068 -0.0166 -0.0083 185 ASP A C 806 O O . ASP A 118 ? 0.5049 0.5267 0.4934 0.0073 -0.0183 -0.0084 185 ASP A O 807 C CB . ASP A 118 ? 0.5393 0.5589 0.5193 0.0051 -0.0180 -0.0068 185 ASP A CB 808 C CG . ASP A 118 ? 0.5494 0.5698 0.5309 0.0058 -0.0167 -0.0085 185 ASP A CG 809 O OD1 . ASP A 118 ? 0.4963 0.5189 0.4795 0.0066 -0.0150 -0.0098 185 ASP A OD1 810 O OD2 . ASP A 118 ? 0.4875 0.5060 0.4684 0.0054 -0.0175 -0.0085 185 ASP A OD2 811 N N . GLY A 119 ? 0.5278 0.5533 0.5137 0.0072 -0.0145 -0.0094 186 GLY A N 812 C CA . GLY A 119 ? 0.5803 0.6074 0.5705 0.0082 -0.0137 -0.0111 186 GLY A CA 813 C C . GLY A 119 ? 0.5525 0.5805 0.5436 0.0087 -0.0121 -0.0128 186 GLY A C 814 O O . GLY A 119 ? 0.5259 0.5557 0.5194 0.0092 -0.0106 -0.0144 186 GLY A O 815 N N . LYS A 120 ? 0.5214 0.5479 0.5104 0.0083 -0.0124 -0.0127 187 LYS A N 816 C CA . LYS A 120 ? 0.5596 0.5869 0.5488 0.0085 -0.0109 -0.0143 187 LYS A CA 817 C C . LYS A 120 ? 0.5272 0.5553 0.5121 0.0078 -0.0095 -0.0140 187 LYS A C 818 O O . LYS A 120 ? 0.5455 0.5751 0.5301 0.0078 -0.0078 -0.0153 187 LYS A O 819 C CB . LYS A 120 ? 0.6806 0.7056 0.6711 0.0087 -0.0122 -0.0147 187 LYS A CB 820 C CG . LYS A 120 ? 0.7711 0.7952 0.7665 0.0097 -0.0138 -0.0152 187 LYS A CG 821 C CD . LYS A 120 ? 0.8367 0.8586 0.8340 0.0100 -0.0149 -0.0159 187 LYS A CD 822 C CE . LYS A 120 ? 0.9704 0.9920 0.9734 0.0113 -0.0159 -0.0169 187 LYS A CE 823 N NZ . LYS A 120 ? 0.9998 1.0181 1.0042 0.0116 -0.0188 -0.0158 187 LYS A NZ 824 N N . ALA A 121 ? 0.5527 0.5798 0.5345 0.0070 -0.0103 -0.0124 188 ALA A N 825 C CA . ALA A 121 ? 0.4901 0.5180 0.4682 0.0064 -0.0093 -0.0121 188 ALA A CA 826 C C . ALA A 121 ? 0.4875 0.5150 0.4628 0.0057 -0.0099 -0.0104 188 ALA A C 827 O O . ALA A 121 ? 0.5553 0.5814 0.5308 0.0054 -0.0113 -0.0094 188 ALA A O 828 C CB . ALA A 121 ? 0.5418 0.5688 0.5193 0.0060 -0.0095 -0.0128 188 ALA A CB 829 N N . TRP A 122 ? 0.4764 0.5051 0.4489 0.0053 -0.0089 -0.0102 189 TRP A N 830 C CA . TRP A 122 ? 0.5012 0.5298 0.4710 0.0047 -0.0090 -0.0089 189 TRP A CA 831 C C . TRP A 122 ? 0.4480 0.4752 0.4163 0.0038 -0.0100 -0.0085 189 TRP A C 832 O O . TRP A 122 ? 0.4494 0.4767 0.4175 0.0036 -0.0099 -0.0092 189 TRP A O 833 C CB . TRP A 122 ? 0.5049 0.5355 0.4729 0.0049 -0.0075 -0.0090 189 TRP A CB 834 C CG . TRP A 122 ? 0.4813 0.5128 0.4498 0.0054 -0.0067 -0.0089 189 TRP A CG 835 C CD1 . TRP A 122 ? 0.4230 0.4556 0.3923 0.0059 -0.0055 -0.0098 189 TRP A CD1 836 C CD2 . TRP A 122 ? 0.4237 0.4547 0.3918 0.0053 -0.0069 -0.0079 189 TRP A CD2 837 N NE1 . TRP A 122 ? 0.4538 0.4867 0.4234 0.0061 -0.0050 -0.0094 189 TRP A NE1 838 C CE2 . TRP A 122 ? 0.4389 0.4707 0.4077 0.0058 -0.0059 -0.0083 189 TRP A CE2 839 C CE3 . TRP A 122 ? 0.4829 0.5127 0.4499 0.0046 -0.0078 -0.0069 189 TRP A CE3 840 C CZ2 . TRP A 122 ? 0.4775 0.5092 0.4461 0.0057 -0.0057 -0.0076 189 TRP A CZ2 841 C CZ3 . TRP A 122 ? 0.4799 0.5095 0.4467 0.0046 -0.0076 -0.0063 189 TRP A CZ3 842 C CH2 . TRP A 122 ? 0.4691 0.4997 0.4367 0.0051 -0.0066 -0.0066 189 TRP A CH2 843 N N . LEU A 123 ? 0.4374 0.4635 0.4045 0.0030 -0.0110 -0.0074 190 LEU A N 844 C CA . LEU A 123 ? 0.4564 0.4815 0.4212 0.0018 -0.0115 -0.0068 190 LEU A CA 845 C C . LEU A 123 ? 0.4466 0.4731 0.4093 0.0014 -0.0106 -0.0064 190 LEU A C 846 O O . LEU A 123 ? 0.4957 0.5225 0.4584 0.0016 -0.0103 -0.0059 190 LEU A O 847 C CB . LEU A 123 ? 0.4752 0.4977 0.4399 0.0009 -0.0133 -0.0059 190 LEU A CB 848 C CG . LEU A 123 ? 0.5191 0.5403 0.4810 -0.0006 -0.0139 -0.0052 190 LEU A CG 849 C CD1 . LEU A 123 ? 0.5164 0.5369 0.4779 -0.0011 -0.0141 -0.0059 190 LEU A CD1 850 C CD2 . LEU A 123 ? 0.5474 0.5659 0.5086 -0.0017 -0.0157 -0.0040 190 LEU A CD2 851 N N . HIS A 124 ? 0.4687 0.4961 0.4299 0.0008 -0.0101 -0.0066 191 HIS A N 852 C CA . HIS A 124 ? 0.4396 0.4682 0.3991 0.0003 -0.0094 -0.0063 191 HIS A CA 853 C C . HIS A 124 ? 0.4478 0.4754 0.4055 -0.0012 -0.0099 -0.0061 191 HIS A C 854 O O . HIS A 124 ? 0.4308 0.4581 0.3883 -0.0018 -0.0103 -0.0066 191 HIS A O 855 C CB . HIS A 124 ? 0.4176 0.4487 0.3770 0.0011 -0.0082 -0.0069 191 HIS A CB 856 C CG . HIS A 124 ? 0.4675 0.4994 0.4281 0.0024 -0.0076 -0.0071 191 HIS A CG 857 N ND1 . HIS A 124 ? 0.5075 0.5395 0.4685 0.0030 -0.0071 -0.0066 191 HIS A ND1 858 C CD2 . HIS A 124 ? 0.4462 0.4789 0.4077 0.0030 -0.0072 -0.0079 191 HIS A CD2 859 C CE1 . HIS A 124 ? 0.4239 0.4566 0.3858 0.0039 -0.0066 -0.0071 191 HIS A CE1 860 N NE2 . HIS A 124 ? 0.4586 0.4917 0.4209 0.0039 -0.0066 -0.0078 191 HIS A NE2 861 N N . VAL A 125 ? 0.4762 0.5037 0.4325 -0.0021 -0.0097 -0.0056 192 VAL A N 862 C CA . VAL A 125 ? 0.4624 0.4894 0.4168 -0.0039 -0.0098 -0.0056 192 VAL A CA 863 C C . VAL A 125 ? 0.4643 0.4939 0.4183 -0.0039 -0.0085 -0.0061 192 VAL A C 864 O O . VAL A 125 ? 0.4994 0.5295 0.4534 -0.0035 -0.0078 -0.0059 192 VAL A O 865 C CB . VAL A 125 ? 0.4405 0.4651 0.3934 -0.0053 -0.0107 -0.0047 192 VAL A CB 866 C CG1 . VAL A 125 ? 0.5040 0.5279 0.4545 -0.0076 -0.0107 -0.0048 192 VAL A CG1 867 C CG2 . VAL A 125 ? 0.4583 0.4803 0.4120 -0.0052 -0.0124 -0.0041 192 VAL A CG2 868 N N . CYS A 126 ? 0.4716 0.5025 0.4252 -0.0044 -0.0081 -0.0068 193 CYS A N 869 C CA . CYS A 126 ? 0.4826 0.5165 0.4367 -0.0039 -0.0069 -0.0074 193 CYS A CA 870 C C . CYS A 126 ? 0.4695 0.5041 0.4224 -0.0058 -0.0065 -0.0080 193 CYS A C 871 O O . CYS A 126 ? 0.4698 0.5041 0.4221 -0.0067 -0.0070 -0.0083 193 CYS A O 872 C CB . CYS A 126 ? 0.5224 0.5581 0.4778 -0.0025 -0.0067 -0.0079 193 CYS A CB 873 S SG . CYS A 126 ? 0.6385 0.6736 0.5952 -0.0007 -0.0069 -0.0075 193 CYS A SG 874 N N . VAL A 127 ? 0.4353 0.4708 0.3879 -0.0064 -0.0057 -0.0082 194 VAL A N 875 C CA . VAL A 127 ? 0.4382 0.4745 0.3896 -0.0083 -0.0051 -0.0089 194 VAL A CA 876 C C . VAL A 127 ? 0.4355 0.4756 0.3888 -0.0074 -0.0040 -0.0099 194 VAL A C 877 O O . VAL A 127 ? 0.4354 0.4766 0.3900 -0.0059 -0.0034 -0.0099 194 VAL A O 878 C CB . VAL A 127 ? 0.4555 0.4903 0.4052 -0.0100 -0.0047 -0.0088 194 VAL A CB 879 C CG1 . VAL A 127 ? 0.4647 0.5000 0.4129 -0.0125 -0.0041 -0.0096 194 VAL A CG1 880 C CG2 . VAL A 127 ? 0.4676 0.4988 0.4159 -0.0106 -0.0061 -0.0076 194 VAL A CG2 881 N N . THR A 128 ? 0.4427 0.4845 0.3961 -0.0083 -0.0038 -0.0108 195 THR A N 882 C CA . THR A 128 ? 0.4352 0.4808 0.3905 -0.0076 -0.0029 -0.0118 195 THR A CA 883 C C . THR A 128 ? 0.4912 0.5382 0.4460 -0.0099 -0.0025 -0.0129 195 THR A C 884 O O . THR A 128 ? 0.4700 0.5145 0.4224 -0.0119 -0.0029 -0.0127 195 THR A O 885 C CB . THR A 128 ? 0.4497 0.4970 0.4067 -0.0055 -0.0034 -0.0116 195 THR A CB 886 O OG1 . THR A 128 ? 0.4439 0.4950 0.4031 -0.0046 -0.0029 -0.0124 195 THR A OG1 887 C CG2 . THR A 128 ? 0.4155 0.4622 0.3718 -0.0061 -0.0042 -0.0117 195 THR A CG2 888 N N . GLY A 129 ? 0.4477 0.4984 0.4045 -0.0095 -0.0017 -0.0140 196 GLY A N 889 C CA . GLY A 129 ? 0.4447 0.4973 0.4014 -0.0115 -0.0011 -0.0152 196 GLY A CA 890 C C . GLY A 129 ? 0.4449 0.4988 0.4019 -0.0129 0.0003 -0.0163 196 GLY A C 891 O O . GLY A 129 ? 0.4532 0.5073 0.4112 -0.0119 0.0009 -0.0163 196 GLY A O 892 N N . ASP A 130 ? 0.4494 0.5045 0.4056 -0.0154 0.0010 -0.0175 197 ASP A N 893 C CA . ASP A 130 ? 0.4501 0.5069 0.4067 -0.0172 0.0026 -0.0189 197 ASP A CA 894 C C . ASP A 130 ? 0.5242 0.5774 0.4780 -0.0186 0.0030 -0.0183 197 ASP A C 895 O O . ASP A 130 ? 0.4825 0.5318 0.4332 -0.0194 0.0019 -0.0170 197 ASP A O 896 C CB . ASP A 130 ? 0.5435 0.6013 0.4988 -0.0202 0.0032 -0.0201 197 ASP A CB 897 C CG . ASP A 130 ? 0.5884 0.6503 0.5465 -0.0194 0.0030 -0.0211 197 ASP A CG 898 O OD1 . ASP A 130 ? 0.5805 0.6454 0.5420 -0.0168 0.0029 -0.0213 197 ASP A OD1 899 O OD2 . ASP A 130 ? 0.6272 0.6889 0.5837 -0.0215 0.0028 -0.0215 197 ASP A OD2 900 N N . ASP A 131 ? 0.5580 0.6125 0.5128 -0.0187 0.0045 -0.0193 198 ASP A N 901 C CA . ASP A 131 ? 0.5927 0.6443 0.5450 -0.0204 0.0051 -0.0190 198 ASP A CA 902 C C . ASP A 131 ? 0.6368 0.6852 0.5846 -0.0239 0.0048 -0.0187 198 ASP A C 903 O O . ASP A 131 ? 0.6342 0.6786 0.5788 -0.0248 0.0039 -0.0172 198 ASP A O 904 C CB . ASP A 131 ? 0.6159 0.6702 0.5702 -0.0207 0.0072 -0.0209 198 ASP A CB 905 C CG . ASP A 131 ? 0.6105 0.6659 0.5678 -0.0175 0.0074 -0.0207 198 ASP A CG 906 O OD1 . ASP A 131 ? 0.6784 0.7352 0.6372 -0.0177 0.0091 -0.0221 198 ASP A OD1 907 O OD2 . ASP A 131 ? 0.6643 0.7191 0.6227 -0.0149 0.0060 -0.0194 198 ASP A OD2 908 N N . ARG A 132 ? 0.5789 0.6291 0.5263 -0.0261 0.0055 -0.0199 199 ARG A N 909 C CA . ARG A 132 ? 0.6763 0.7236 0.6194 -0.0297 0.0053 -0.0196 199 ARG A CA 910 C C . ARG A 132 ? 0.6272 0.6717 0.5683 -0.0299 0.0034 -0.0182 199 ARG A C 911 O O . ARG A 132 ? 0.5914 0.6332 0.5289 -0.0329 0.0030 -0.0179 199 ARG A O 912 C CB . ARG A 132 ? 0.7328 0.7830 0.6760 -0.0325 0.0072 -0.0218 199 ARG A CB 913 C CG . ARG A 132 ? 0.9654 1.0185 0.9106 -0.0328 0.0095 -0.0237 199 ARG A CG 914 C CD . ARG A 132 ? 1.0742 1.1239 1.0166 -0.0337 0.0097 -0.0230 199 ARG A CD 915 N NE . ARG A 132 ? 1.2707 1.3228 1.2143 -0.0348 0.0122 -0.0251 199 ARG A NE 916 C CZ . ARG A 132 ? 1.3628 1.4163 1.3052 -0.0382 0.0141 -0.0270 199 ARG A CZ 917 N NH1 . ARG A 132 ? 1.3431 1.3958 1.2827 -0.0411 0.0139 -0.0271 199 ARG A NH1 918 N NH2 . ARG A 132 ? 1.3678 1.4235 1.3117 -0.0389 0.0165 -0.0290 199 ARG A NH2 919 N N . ASN A 133 ? 0.6037 0.6488 0.5472 -0.0269 0.0022 -0.0174 200 ASN A N 920 C CA . ASN A 133 ? 0.4990 0.5418 0.4411 -0.0271 0.0005 -0.0164 200 ASN A CA 921 C C . ASN A 133 ? 0.4926 0.5352 0.4369 -0.0237 -0.0006 -0.0153 200 ASN A C 922 O O . ASN A 133 ? 0.4763 0.5204 0.4221 -0.0225 -0.0012 -0.0155 200 ASN A O 923 C CB . ASN A 133 ? 0.5084 0.5538 0.4509 -0.0287 0.0011 -0.0178 200 ASN A CB 924 C CG . ASN A 133 ? 0.5633 0.6051 0.5027 -0.0306 -0.0001 -0.0169 200 ASN A CG 925 O OD1 . ASN A 133 ? 0.5512 0.5883 0.4877 -0.0312 -0.0014 -0.0154 200 ASN A OD1 926 N ND2 . ASN A 133 ? 0.5959 0.6397 0.5358 -0.0315 0.0001 -0.0179 200 ASN A ND2 927 N N . ALA A 134 ? 0.4780 0.5185 0.4220 -0.0223 -0.0012 -0.0142 201 ALA A N 928 C CA . ALA A 134 ? 0.4728 0.5133 0.4189 -0.0192 -0.0021 -0.0133 201 ALA A CA 929 C C . ALA A 134 ? 0.5215 0.5588 0.4664 -0.0190 -0.0038 -0.0121 201 ALA A C 930 O O . ALA A 134 ? 0.5614 0.5957 0.5035 -0.0212 -0.0045 -0.0117 201 ALA A O 931 C CB . ALA A 134 ? 0.5092 0.5487 0.4556 -0.0179 -0.0020 -0.0126 201 ALA A CB 932 N N . THR A 135 ? 0.4925 0.5303 0.4393 -0.0164 -0.0045 -0.0117 202 THR A N 933 C CA . THR A 135 ? 0.4863 0.5214 0.4327 -0.0158 -0.0059 -0.0108 202 THR A CA 934 C C . THR A 135 ? 0.5082 0.5420 0.4556 -0.0137 -0.0065 -0.0098 202 THR A C 935 O O . THR A 135 ? 0.4950 0.5312 0.4444 -0.0117 -0.0058 -0.0100 202 THR A O 936 C CB . THR A 135 ? 0.5054 0.5425 0.4533 -0.0147 -0.0060 -0.0114 202 THR A CB 937 O OG1 . THR A 135 ? 0.5107 0.5493 0.4580 -0.0166 -0.0055 -0.0125 202 THR A OG1 938 C CG2 . THR A 135 ? 0.5217 0.5558 0.4693 -0.0141 -0.0073 -0.0108 202 THR A CG2 939 N N . ALA A 136 ? 0.4339 0.4641 0.3801 -0.0140 -0.0078 -0.0088 203 ALA A N 940 C CA . ALA A 136 ? 0.4582 0.4873 0.4057 -0.0120 -0.0084 -0.0080 203 ALA A CA 941 C C . ALA A 136 ? 0.4638 0.4919 0.4124 -0.0109 -0.0093 -0.0079 203 ALA A C 942 O O . ALA A 136 ? 0.5274 0.5528 0.4748 -0.0120 -0.0104 -0.0076 203 ALA A O 943 C CB . ALA A 136 ? 0.4527 0.4785 0.3985 -0.0130 -0.0093 -0.0069 203 ALA A CB 944 N N . SER A 137 ? 0.4148 0.4448 0.3655 -0.0087 -0.0089 -0.0082 204 SER A N 945 C CA . SER A 137 ? 0.4011 0.4304 0.3530 -0.0075 -0.0095 -0.0083 204 SER A CA 946 C C . SER A 137 ? 0.4291 0.4566 0.3821 -0.0062 -0.0102 -0.0076 204 SER A C 947 O O . SER A 137 ? 0.4417 0.4698 0.3951 -0.0054 -0.0098 -0.0072 204 SER A O 948 C CB . SER A 137 ? 0.3906 0.4232 0.3439 -0.0062 -0.0086 -0.0091 204 SER A CB 949 O OG . SER A 137 ? 0.4323 0.4668 0.3850 -0.0072 -0.0082 -0.0099 204 SER A OG 950 N N . PHE A 138 ? 0.4525 0.4779 0.4062 -0.0060 -0.0112 -0.0076 205 PHE A N 951 C CA . PHE A 138 ? 0.4661 0.4900 0.4214 -0.0047 -0.0119 -0.0071 205 PHE A CA 952 C C . PHE A 138 ? 0.4535 0.4784 0.4107 -0.0032 -0.0115 -0.0080 205 PHE A C 953 O O . PHE A 138 ? 0.4850 0.5093 0.4424 -0.0036 -0.0117 -0.0087 205 PHE A O 954 C CB . PHE A 138 ? 0.4803 0.5004 0.4350 -0.0057 -0.0136 -0.0063 205 PHE A CB 955 C CG . PHE A 138 ? 0.4720 0.4908 0.4242 -0.0075 -0.0140 -0.0054 205 PHE A CG 956 C CD1 . PHE A 138 ? 0.5546 0.5735 0.5047 -0.0094 -0.0137 -0.0056 205 PHE A CD1 957 C CD2 . PHE A 138 ? 0.5087 0.5266 0.4610 -0.0075 -0.0146 -0.0045 205 PHE A CD2 958 C CE1 . PHE A 138 ? 0.5521 0.5700 0.4997 -0.0113 -0.0139 -0.0049 205 PHE A CE1 959 C CE2 . PHE A 138 ? 0.4821 0.4988 0.4318 -0.0093 -0.0149 -0.0038 205 PHE A CE2 960 C CZ . PHE A 138 ? 0.5013 0.5180 0.4486 -0.0113 -0.0145 -0.0040 205 PHE A CZ 961 N N . ILE A 139 ? 0.4809 0.5073 0.4395 -0.0018 -0.0108 -0.0081 206 ILE A N 962 C CA . ILE A 139 ? 0.4979 0.5258 0.4580 -0.0006 -0.0101 -0.0090 206 ILE A CA 963 C C . ILE A 139 ? 0.4580 0.4847 0.4201 0.0004 -0.0104 -0.0090 206 ILE A C 964 O O . ILE A 139 ? 0.5092 0.5360 0.4716 0.0008 -0.0105 -0.0083 206 ILE A O 965 C CB . ILE A 139 ? 0.5733 0.6041 0.5329 0.0000 -0.0089 -0.0092 206 ILE A CB 966 C CG1 . ILE A 139 ? 0.5855 0.6175 0.5435 -0.0012 -0.0087 -0.0094 206 ILE A CG1 967 C CG2 . ILE A 139 ? 0.5710 0.6031 0.5317 0.0010 -0.0081 -0.0100 206 ILE A CG2 968 C CD1 . ILE A 139 ? 0.6458 0.6808 0.6035 -0.0007 -0.0078 -0.0096 206 ILE A CD1 969 N N . TYR A 140 ? 0.4635 0.4891 0.4271 0.0007 -0.0107 -0.0098 207 TYR A N 970 C CA . TYR A 140 ? 0.4903 0.5151 0.4566 0.0018 -0.0111 -0.0100 207 TYR A CA 971 C C . TYR A 140 ? 0.4807 0.5069 0.4485 0.0026 -0.0099 -0.0115 207 TYR A C 972 O O . TYR A 140 ? 0.4431 0.4693 0.4106 0.0022 -0.0096 -0.0125 207 TYR A O 973 C CB . TYR A 140 ? 0.5439 0.5655 0.5111 0.0014 -0.0128 -0.0098 207 TYR A CB 974 C CG . TYR A 140 ? 0.4931 0.5139 0.4635 0.0026 -0.0133 -0.0100 207 TYR A CG 975 C CD1 . TYR A 140 ? 0.4657 0.4865 0.4368 0.0029 -0.0139 -0.0090 207 TYR A CD1 976 C CD2 . TYR A 140 ? 0.4884 0.5087 0.4614 0.0033 -0.0133 -0.0114 207 TYR A CD2 977 C CE1 . TYR A 140 ? 0.4705 0.4908 0.4448 0.0039 -0.0145 -0.0093 207 TYR A CE1 978 C CE2 . TYR A 140 ? 0.4970 0.5169 0.4736 0.0044 -0.0137 -0.0118 207 TYR A CE2 979 C CZ . TYR A 140 ? 0.4930 0.5130 0.4703 0.0047 -0.0144 -0.0107 207 TYR A CZ 980 O OH . TYR A 140 ? 0.4516 0.4715 0.4324 0.0058 -0.0150 -0.0111 207 TYR A OH 981 N N . ASP A 141 ? 0.5009 0.5284 0.4700 0.0035 -0.0091 -0.0117 208 ASP A N 982 C CA . ASP A 141 ? 0.5006 0.5296 0.4708 0.0041 -0.0078 -0.0131 208 ASP A CA 983 C C . ASP A 141 ? 0.5228 0.5535 0.4908 0.0036 -0.0068 -0.0136 208 ASP A C 984 O O . ASP A 141 ? 0.4937 0.5247 0.4620 0.0035 -0.0062 -0.0150 208 ASP A O 985 C CB . ASP A 141 ? 0.5326 0.5601 0.5055 0.0045 -0.0081 -0.0144 208 ASP A CB 986 C CG . ASP A 141 ? 0.6940 0.7230 0.6689 0.0052 -0.0067 -0.0159 208 ASP A CG 987 O OD1 . ASP A 141 ? 0.6548 0.6856 0.6291 0.0054 -0.0056 -0.0157 208 ASP A OD1 988 O OD2 . ASP A 141 ? 0.7211 0.7493 0.6985 0.0055 -0.0066 -0.0173 208 ASP A OD2 989 N N . GLY A 142 ? 0.5280 0.5599 0.4938 0.0033 -0.0068 -0.0127 209 GLY A N 990 C CA . GLY A 142 ? 0.4773 0.5110 0.4412 0.0029 -0.0061 -0.0129 209 GLY A CA 991 C C . GLY A 142 ? 0.5512 0.5845 0.5142 0.0019 -0.0066 -0.0133 209 GLY A C 992 O O . GLY A 142 ? 0.5121 0.5470 0.4736 0.0014 -0.0062 -0.0137 209 GLY A O 993 N N . MET A 143 ? 0.5837 0.6146 0.5473 0.0014 -0.0076 -0.0133 210 MET A N 994 C CA . MET A 143 ? 0.5891 0.6192 0.5515 0.0003 -0.0081 -0.0136 210 MET A CA 995 C C . MET A 143 ? 0.5603 0.5891 0.5217 -0.0005 -0.0091 -0.0125 210 MET A C 996 O O . MET A 143 ? 0.5538 0.5809 0.5158 -0.0003 -0.0098 -0.0116 210 MET A O 997 C CB . MET A 143 ? 0.6107 0.6387 0.5746 0.0002 -0.0084 -0.0147 210 MET A CB 998 C CG . MET A 143 ? 0.7948 0.8239 0.7600 0.0008 -0.0072 -0.0162 210 MET A CG 999 S SD . MET A 143 ? 0.9076 0.9338 0.8754 0.0010 -0.0075 -0.0176 210 MET A SD 1000 C CE . MET A 143 ? 1.1410 1.1692 1.1104 0.0018 -0.0058 -0.0193 210 MET A CE 1001 N N . LEU A 144 ? 0.5560 0.5855 0.5157 -0.0017 -0.0090 -0.0126 211 LEU A N 1002 C CA . LEU A 144 ? 0.5396 0.5678 0.4978 -0.0030 -0.0098 -0.0118 211 LEU A CA 1003 C C . LEU A 144 ? 0.5563 0.5808 0.5149 -0.0036 -0.0110 -0.0117 211 LEU A C 1004 O O . LEU A 144 ? 0.5003 0.5239 0.4593 -0.0039 -0.0110 -0.0126 211 LEU A O 1005 C CB . LEU A 144 ? 0.5211 0.5511 0.4776 -0.0042 -0.0094 -0.0122 211 LEU A CB 1006 C CG . LEU A 144 ? 0.6240 0.6529 0.5792 -0.0055 -0.0100 -0.0112 211 LEU A CG 1007 C CD1 . LEU A 144 ? 0.6577 0.6896 0.6122 -0.0056 -0.0092 -0.0111 211 LEU A CD1 1008 C CD2 . LEU A 144 ? 0.6962 0.7231 0.6500 -0.0074 -0.0105 -0.0115 211 LEU A CD2 1009 N N . ALA A 145 ? 0.4955 0.5179 0.4541 -0.0038 -0.0120 -0.0106 212 ALA A N 1010 C CA . ALA A 145 ? 0.4832 0.5018 0.4422 -0.0042 -0.0135 -0.0102 212 ALA A CA 1011 C C . ALA A 145 ? 0.5409 0.5573 0.4974 -0.0061 -0.0145 -0.0092 212 ALA A C 1012 O O . ALA A 145 ? 0.5426 0.5557 0.4988 -0.0069 -0.0157 -0.0090 212 ALA A O 1013 C CB . ALA A 145 ? 0.4852 0.5028 0.4463 -0.0029 -0.0142 -0.0096 212 ALA A CB 1014 N N . ASP A 146 ? 0.5158 0.5337 0.4704 -0.0071 -0.0140 -0.0087 213 ASP A N 1015 C CA . ASP A 146 ? 0.4944 0.5102 0.4463 -0.0092 -0.0147 -0.0079 213 ASP A CA 1016 C C . ASP A 146 ? 0.4298 0.4485 0.3803 -0.0100 -0.0136 -0.0079 213 ASP A C 1017 O O . ASP A 146 ? 0.4962 0.5179 0.4478 -0.0087 -0.0125 -0.0082 213 ASP A O 1018 C CB . ASP A 146 ? 0.5392 0.5518 0.4909 -0.0095 -0.0164 -0.0065 213 ASP A CB 1019 C CG . ASP A 146 ? 0.6733 0.6819 0.6226 -0.0116 -0.0179 -0.0057 213 ASP A CG 1020 O OD1 . ASP A 146 ? 0.6866 0.6953 0.6339 -0.0133 -0.0174 -0.0062 213 ASP A OD1 1021 O OD2 . ASP A 146 ? 0.6538 0.6591 0.6032 -0.0117 -0.0197 -0.0046 213 ASP A OD2 1022 N N . SER A 147 ? 0.4640 0.4816 0.4119 -0.0123 -0.0138 -0.0075 214 SER A N 1023 C CA . SER A 147 ? 0.4308 0.4509 0.3774 -0.0133 -0.0126 -0.0076 214 SER A CA 1024 C C . SER A 147 ? 0.4616 0.4791 0.4053 -0.0158 -0.0133 -0.0069 214 SER A C 1025 O O . SER A 147 ? 0.4865 0.5007 0.4287 -0.0171 -0.0144 -0.0065 214 SER A O 1026 C CB . SER A 147 ? 0.4093 0.4329 0.3562 -0.0134 -0.0113 -0.0089 214 SER A CB 1027 O OG . SER A 147 ? 0.4232 0.4455 0.3687 -0.0151 -0.0116 -0.0094 214 SER A OG 1028 N N . ILE A 148 ? 0.5185 0.5375 0.4610 -0.0167 -0.0124 -0.0068 215 ILE A N 1029 C CA . ILE A 148 ? 0.5756 0.5928 0.5149 -0.0196 -0.0125 -0.0064 215 ILE A CA 1030 C C . ILE A 148 ? 0.5334 0.5543 0.4724 -0.0205 -0.0106 -0.0075 215 ILE A C 1031 O O . ILE A 148 ? 0.5016 0.5255 0.4426 -0.0188 -0.0096 -0.0080 215 ILE A O 1032 C CB . ILE A 148 ? 0.6506 0.6654 0.5883 -0.0204 -0.0134 -0.0052 215 ILE A CB 1033 C CG1 . ILE A 148 ? 0.7299 0.7464 0.6700 -0.0179 -0.0130 -0.0051 215 ILE A CG1 1034 C CG2 . ILE A 148 ? 0.7849 0.7949 0.7210 -0.0214 -0.0156 -0.0038 215 ILE A CG2 1035 C CD1 . ILE A 148 ? 0.8797 0.8950 0.8182 -0.0189 -0.0132 -0.0042 215 ILE A CD1 1036 N N . GLY A 149 ? 0.4960 0.5161 0.4322 -0.0234 -0.0103 -0.0078 216 GLY A N 1037 C CA . GLY A 149 ? 0.5768 0.5999 0.5125 -0.0249 -0.0086 -0.0089 216 GLY A CA 1038 C C . GLY A 149 ? 0.5586 0.5802 0.4919 -0.0266 -0.0084 -0.0083 216 GLY A C 1039 O O . GLY A 149 ? 0.6233 0.6412 0.5548 -0.0272 -0.0098 -0.0070 216 GLY A O 1040 N N . SER A 150 ? 0.6121 0.6369 0.5457 -0.0274 -0.0065 -0.0095 217 SER A N 1041 C CA . SER A 150 ? 0.6279 0.6522 0.5596 -0.0291 -0.0058 -0.0095 217 SER A CA 1042 C C . SER A 150 ? 0.6377 0.6582 0.5648 -0.0329 -0.0064 -0.0089 217 SER A C 1043 O O . SER A 150 ? 0.6822 0.7031 0.6081 -0.0348 -0.0059 -0.0097 217 SER A O 1044 C CB . SER A 150 ? 0.6135 0.6426 0.5472 -0.0290 -0.0034 -0.0114 217 SER A CB 1045 O OG . SER A 150 ? 0.6793 0.7082 0.6112 -0.0308 -0.0023 -0.0118 217 SER A OG 1046 N N . TRP A 151 ? 0.5914 0.6084 0.5158 -0.0341 -0.0076 -0.0075 218 TRP A N 1047 C CA . TRP A 151 ? 0.5800 0.5930 0.4995 -0.0379 -0.0084 -0.0068 218 TRP A CA 1048 C C . TRP A 151 ? 0.5923 0.6064 0.5091 -0.0411 -0.0065 -0.0078 218 TRP A C 1049 O O . TRP A 151 ? 0.6061 0.6179 0.5190 -0.0445 -0.0066 -0.0077 218 TRP A O 1050 C CB . TRP A 151 ? 0.6208 0.6291 0.5385 -0.0378 -0.0110 -0.0046 218 TRP A CB 1051 C CG . TRP A 151 ? 0.6121 0.6207 0.5311 -0.0361 -0.0112 -0.0040 218 TRP A CG 1052 C CD1 . TRP A 151 ? 0.5981 0.6063 0.5148 -0.0379 -0.0106 -0.0039 218 TRP A CD1 1053 C CD2 . TRP A 151 ? 0.6314 0.6407 0.5542 -0.0324 -0.0121 -0.0034 218 TRP A CD2 1054 N NE1 . TRP A 151 ? 0.5159 0.5245 0.4347 -0.0355 -0.0111 -0.0034 218 TRP A NE1 1055 C CE2 . TRP A 151 ? 0.5468 0.5561 0.4694 -0.0321 -0.0120 -0.0030 218 TRP A CE2 1056 C CE3 . TRP A 151 ? 0.6124 0.6225 0.5387 -0.0294 -0.0129 -0.0034 218 TRP A CE3 1057 C CZ2 . TRP A 151 ? 0.5178 0.5276 0.4435 -0.0290 -0.0127 -0.0025 218 TRP A CZ2 1058 C CZ3 . TRP A 151 ? 0.6131 0.6237 0.5424 -0.0264 -0.0135 -0.0029 218 TRP A CZ3 1059 C CH2 . TRP A 151 ? 0.5792 0.5898 0.5083 -0.0262 -0.0133 -0.0024 218 TRP A CH2 1060 N N . SER A 152 ? 0.6750 0.6924 0.5939 -0.0400 -0.0046 -0.0090 219 SER A N 1061 C CA . SER A 152 ? 0.6595 0.6785 0.5765 -0.0429 -0.0024 -0.0106 219 SER A CA 1062 C C . SER A 152 ? 0.6611 0.6857 0.5817 -0.0420 0.0002 -0.0130 219 SER A C 1063 O O . SER A 152 ? 0.6754 0.7019 0.5953 -0.0440 0.0023 -0.0146 219 SER A O 1064 C CB . SER A 152 ? 0.6234 0.6415 0.5395 -0.0429 -0.0022 -0.0101 219 SER A CB 1065 O OG . SER A 152 ? 0.7173 0.7305 0.6300 -0.0441 -0.0047 -0.0079 219 SER A OG 1066 N N . GLN A 153 ? 0.7413 0.7686 0.6661 -0.0388 0.0000 -0.0133 220 GLN A N 1067 C CA . GLN A 153 ? 0.7142 0.7468 0.6428 -0.0377 0.0020 -0.0155 220 GLN A CA 1068 C C . GLN A 153 ? 0.6950 0.7308 0.6261 -0.0366 0.0040 -0.0169 220 GLN A C 1069 O O . GLN A 153 ? 0.6770 0.7164 0.6098 -0.0375 0.0061 -0.0189 220 GLN A O 1070 C CB . GLN A 153 ? 0.8007 0.8342 0.7275 -0.0410 0.0030 -0.0167 220 GLN A CB 1071 C CG . GLN A 153 ? 0.9135 0.9436 0.8382 -0.0416 0.0010 -0.0153 220 GLN A CG 1072 C CD . GLN A 153 ? 1.0920 1.1243 1.0169 -0.0433 0.0019 -0.0167 220 GLN A CD 1073 O OE1 . GLN A 153 ? 1.1697 1.2025 1.0922 -0.0468 0.0033 -0.0179 220 GLN A OE1 1074 N NE2 . GLN A 153 ? 1.2497 1.2834 1.1773 -0.0409 0.0011 -0.0166 220 GLN A NE2 1075 N N . ASN A 154 ? 0.7221 0.7563 0.6535 -0.0348 0.0033 -0.0157 221 ASN A N 1076 C CA . ASN A 154 ? 0.7065 0.7430 0.6401 -0.0336 0.0049 -0.0168 221 ASN A CA 1077 C C . ASN A 154 ? 0.6203 0.6559 0.5558 -0.0302 0.0038 -0.0155 221 ASN A C 1078 O O . ASN A 154 ? 0.5832 0.6164 0.5170 -0.0306 0.0034 -0.0146 221 ASN A O 1079 C CB . ASN A 154 ? 0.7769 0.8115 0.7066 -0.0373 0.0061 -0.0174 221 ASN A CB 1080 C CG . ASN A 154 ? 0.8182 0.8559 0.7502 -0.0370 0.0086 -0.0193 221 ASN A CG 1081 O OD1 . ASN A 154 ? 0.7243 0.7653 0.6609 -0.0338 0.0093 -0.0202 221 ASN A OD1 1082 N ND2 . ASN A 154 ? 0.8758 0.9121 0.8043 -0.0404 0.0098 -0.0201 221 ASN A ND2 1083 N N . ILE A 155 ? 0.5785 0.6162 0.5176 -0.0271 0.0033 -0.0154 222 ILE A N 1084 C CA . ILE A 155 ? 0.5934 0.6312 0.5350 -0.0236 0.0025 -0.0144 222 ILE A CA 1085 C C . ILE A 155 ? 0.5969 0.6307 0.5364 -0.0233 0.0004 -0.0124 222 ILE A C 1086 O O . ILE A 155 ? 0.5824 0.6140 0.5206 -0.0236 0.0001 -0.0116 222 ILE A O 1087 C CB . ILE A 155 ? 0.5982 0.6377 0.5418 -0.0224 0.0041 -0.0154 222 ILE A CB 1088 C CG1 . ILE A 155 ? 0.6250 0.6686 0.5712 -0.0226 0.0061 -0.0176 222 ILE A CG1 1089 C CG2 . ILE A 155 ? 0.5793 0.6193 0.5257 -0.0188 0.0034 -0.0145 222 ILE A CG2 1090 C CD1 . ILE A 155 ? 0.6353 0.6803 0.5831 -0.0221 0.0080 -0.0188 222 ILE A CD1 1091 N N . LEU A 156 ? 0.5858 0.6186 0.5253 -0.0228 -0.0010 -0.0115 223 LEU A N 1092 C CA . LEU A 156 ? 0.5946 0.6239 0.5331 -0.0219 -0.0030 -0.0097 223 LEU A CA 1093 C C . LEU A 156 ? 0.5657 0.5961 0.5071 -0.0188 -0.0030 -0.0093 223 LEU A C 1094 O O . LEU A 156 ? 0.5171 0.5505 0.4613 -0.0167 -0.0022 -0.0101 223 LEU A O 1095 C CB . LEU A 156 ? 0.5396 0.5681 0.4782 -0.0217 -0.0044 -0.0092 223 LEU A CB 1096 C CG . LEU A 156 ? 0.5696 0.5951 0.5081 -0.0206 -0.0064 -0.0077 223 LEU A CG 1097 C CD1 . LEU A 156 ? 0.5671 0.5886 0.5022 -0.0228 -0.0078 -0.0064 223 LEU A CD1 1098 C CD2 . LEU A 156 ? 0.5743 0.5997 0.5134 -0.0202 -0.0072 -0.0077 223 LEU A CD2 1099 N N . ARG A 157 ? 0.5250 0.5530 0.4654 -0.0187 -0.0039 -0.0082 224 ARG A N 1100 C CA . ARG A 157 ? 0.5599 0.5886 0.5024 -0.0162 -0.0037 -0.0080 224 ARG A CA 1101 C C . ARG A 157 ? 0.5529 0.5785 0.4945 -0.0159 -0.0054 -0.0064 224 ARG A C 1102 O O . ARG A 157 ? 0.5262 0.5491 0.4653 -0.0179 -0.0067 -0.0056 224 ARG A O 1103 C CB . ARG A 157 ? 0.6015 0.6314 0.5441 -0.0165 -0.0019 -0.0089 224 ARG A CB 1104 C CG . ARG A 157 ? 0.6438 0.6719 0.5830 -0.0198 -0.0016 -0.0090 224 ARG A CG 1105 C CD . ARG A 157 ? 0.6626 0.6927 0.6020 -0.0208 0.0006 -0.0107 224 ARG A CD 1106 N NE . ARG A 157 ? 0.7103 0.7384 0.6460 -0.0242 0.0010 -0.0108 224 ARG A NE 1107 C CZ . ARG A 157 ? 0.6982 0.7259 0.6313 -0.0273 0.0015 -0.0115 224 ARG A CZ 1108 N NH1 . ARG A 157 ? 0.6887 0.7143 0.6181 -0.0304 0.0019 -0.0115 224 ARG A NH1 1109 N NH2 . ARG A 157 ? 0.7867 0.8161 0.7205 -0.0275 0.0018 -0.0122 224 ARG A NH2 1110 N N . THR A 158 ? 0.5054 0.5316 0.4492 -0.0135 -0.0056 -0.0061 225 THR A N 1111 C CA . THR A 158 ? 0.4934 0.5172 0.4372 -0.0130 -0.0072 -0.0048 225 THR A CA 1112 C C . THR A 158 ? 0.4862 0.5102 0.4308 -0.0118 -0.0067 -0.0046 225 THR A C 1113 O O . THR A 158 ? 0.5087 0.5338 0.4531 -0.0122 -0.0052 -0.0053 225 THR A O 1114 C CB . THR A 158 ? 0.5171 0.5407 0.4625 -0.0114 -0.0084 -0.0044 225 THR A CB 1115 O OG1 . THR A 158 ? 0.5611 0.5825 0.5068 -0.0111 -0.0101 -0.0033 225 THR A OG1 1116 C CG2 . THR A 158 ? 0.5899 0.6162 0.5381 -0.0089 -0.0075 -0.0050 225 THR A CG2 1117 N N . GLN A 159 ? 0.5015 0.5246 0.4474 -0.0105 -0.0078 -0.0038 226 GLN A N 1118 C CA . GLN A 159 ? 0.5060 0.5287 0.4522 -0.0100 -0.0076 -0.0035 226 GLN A CA 1119 C C . GLN A 159 ? 0.5037 0.5284 0.4516 -0.0082 -0.0059 -0.0041 226 GLN A C 1120 O O . GLN A 159 ? 0.4766 0.5010 0.4239 -0.0086 -0.0052 -0.0042 226 GLN A O 1121 C CB . GLN A 159 ? 0.5351 0.5563 0.4824 -0.0092 -0.0093 -0.0025 226 GLN A CB 1122 C CG . GLN A 159 ? 0.5122 0.5308 0.4578 -0.0110 -0.0114 -0.0015 226 GLN A CG 1123 C CD . GLN A 159 ? 0.5486 0.5659 0.4959 -0.0100 -0.0132 -0.0007 226 GLN A CD 1124 O OE1 . GLN A 159 ? 0.5948 0.6102 0.5416 -0.0108 -0.0151 0.0000 226 GLN A OE1 1125 N NE2 . GLN A 159 ? 0.5713 0.5898 0.5209 -0.0082 -0.0128 -0.0008 226 GLN A NE2 1126 N N . GLU A 160 ? 0.4880 0.5145 0.4378 -0.0064 -0.0054 -0.0046 227 GLU A N 1127 C CA . GLU A 160 ? 0.4415 0.4695 0.3930 -0.0045 -0.0043 -0.0049 227 GLU A CA 1128 C C . GLU A 160 ? 0.4482 0.4752 0.4003 -0.0036 -0.0048 -0.0042 227 GLU A C 1129 O O . GLU A 160 ? 0.4724 0.4997 0.4251 -0.0027 -0.0038 -0.0043 227 GLU A O 1130 C CB . GLU A 160 ? 0.4603 0.4893 0.4115 -0.0047 -0.0027 -0.0057 227 GLU A CB 1131 C CG . GLU A 160 ? 0.5604 0.5903 0.5106 -0.0063 -0.0020 -0.0065 227 GLU A CG 1132 C CD . GLU A 160 ? 0.5935 0.6252 0.5447 -0.0058 -0.0021 -0.0070 227 GLU A CD 1133 O OE1 . GLU A 160 ? 0.6491 0.6816 0.6018 -0.0041 -0.0026 -0.0067 227 GLU A OE1 1134 O OE2 . GLU A 160 ? 0.6583 0.6905 0.6085 -0.0075 -0.0017 -0.0077 227 GLU A OE2 1135 N N . SER A 161 ? 0.4499 0.4756 0.4023 -0.0039 -0.0063 -0.0035 228 SER A N 1136 C CA . SER A 161 ? 0.4808 0.5060 0.4344 -0.0029 -0.0068 -0.0031 228 SER A CA 1137 C C . SER A 161 ? 0.4629 0.4874 0.4176 -0.0027 -0.0083 -0.0027 228 SER A C 1138 O O . SER A 161 ? 0.4892 0.5135 0.4435 -0.0032 -0.0090 -0.0028 228 SER A O 1139 C CB . SER A 161 ? 0.5348 0.5587 0.4873 -0.0040 -0.0068 -0.0027 228 SER A CB 1140 O OG . SER A 161 ? 0.5734 0.5957 0.5241 -0.0060 -0.0080 -0.0023 228 SER A OG 1141 N N . GLU A 162 ? 0.4095 0.4337 0.3657 -0.0019 -0.0089 -0.0025 229 GLU A N 1142 C CA . GLU A 162 ? 0.4386 0.4624 0.3966 -0.0014 -0.0102 -0.0024 229 GLU A CA 1143 C C . GLU A 162 ? 0.4740 0.4958 0.4310 -0.0029 -0.0120 -0.0017 229 GLU A C 1144 O O . GLU A 162 ? 0.4701 0.4906 0.4257 -0.0043 -0.0128 -0.0011 229 GLU A O 1145 C CB . GLU A 162 ? 0.4614 0.4856 0.4217 -0.0003 -0.0103 -0.0025 229 GLU A CB 1146 C CG . GLU A 162 ? 0.5222 0.5454 0.4829 -0.0010 -0.0114 -0.0019 229 GLU A CG 1147 C CD . GLU A 162 ? 0.6421 0.6662 0.6058 0.0001 -0.0115 -0.0022 229 GLU A CD 1148 O OE1 . GLU A 162 ? 0.6075 0.6309 0.5720 -0.0002 -0.0125 -0.0018 229 GLU A OE1 1149 O OE2 . GLU A 162 ? 0.5507 0.5760 0.5159 0.0014 -0.0107 -0.0030 229 GLU A OE2 1150 N N . CYS A 163 ? 0.4481 0.4695 0.4059 -0.0026 -0.0129 -0.0019 230 CYS A N 1151 C CA . CYS A 163 ? 0.4865 0.5057 0.4441 -0.0036 -0.0150 -0.0012 230 CYS A CA 1152 C C . CYS A 163 ? 0.5036 0.5225 0.4641 -0.0026 -0.0162 -0.0010 230 CYS A C 1153 O O . CYS A 163 ? 0.5163 0.5367 0.4786 -0.0014 -0.0152 -0.0015 230 CYS A O 1154 C CB . CYS A 163 ? 0.4913 0.5100 0.4486 -0.0038 -0.0153 -0.0014 230 CYS A CB 1155 S SG . CYS A 163 ? 0.5727 0.5937 0.5319 -0.0020 -0.0138 -0.0027 230 CYS A SG 1156 N N . VAL A 164 ? 0.4690 0.4858 0.4298 -0.0032 -0.0184 -0.0002 231 VAL A N 1157 C CA . VAL A 164 ? 0.4834 0.4998 0.4473 -0.0024 -0.0199 0.0000 231 VAL A CA 1158 C C . VAL A 164 ? 0.4830 0.4979 0.4488 -0.0019 -0.0216 0.0000 231 VAL A C 1159 O O . VAL A 164 ? 0.5064 0.5190 0.4700 -0.0031 -0.0229 0.0007 231 VAL A O 1160 C CB . VAL A 164 ? 0.4770 0.4920 0.4396 -0.0038 -0.0214 0.0011 231 VAL A CB 1161 C CG1 . VAL A 164 ? 0.4878 0.5030 0.4540 -0.0028 -0.0229 0.0012 231 VAL A CG1 1162 C CG2 . VAL A 164 ? 0.4516 0.4677 0.4121 -0.0045 -0.0197 0.0009 231 VAL A CG2 1163 N N . CYS A 165 ? 0.4760 0.4919 0.4458 -0.0001 -0.0217 -0.0008 232 CYS A N 1164 C CA . CYS A 165 ? 0.5174 0.5321 0.4898 0.0005 -0.0232 -0.0010 232 CYS A CA 1165 C C . CYS A 165 ? 0.5598 0.5741 0.5357 0.0013 -0.0250 -0.0008 232 CYS A C 1166 O O . CYS A 165 ? 0.5363 0.5527 0.5146 0.0022 -0.0241 -0.0015 232 CYS A O 1167 C CB . CYS A 165 ? 0.5436 0.5600 0.5180 0.0020 -0.0214 -0.0026 232 CYS A CB 1168 S SG . CYS A 165 ? 0.6179 0.6357 0.5888 0.0014 -0.0190 -0.0032 232 CYS A SG 1169 N N . ILE A 166 ? 0.5320 0.5436 0.5087 0.0010 -0.0277 0.0000 233 ILE A N 1170 C CA . ILE A 166 ? 0.5418 0.5530 0.5229 0.0021 -0.0298 0.0001 233 ILE A CA 1171 C C . ILE A 166 ? 0.5298 0.5395 0.5140 0.0032 -0.0311 -0.0003 233 ILE A C 1172 O O . ILE A 166 ? 0.4935 0.5003 0.4755 0.0023 -0.0324 0.0004 233 ILE A O 1173 C CB . ILE A 166 ? 0.5796 0.5889 0.5592 0.0007 -0.0325 0.0020 233 ILE A CB 1174 C CG1 . ILE A 166 ? 0.6242 0.6351 0.6013 -0.0002 -0.0311 0.0022 233 ILE A CG1 1175 C CG2 . ILE A 166 ? 0.5305 0.5393 0.5151 0.0019 -0.0351 0.0021 233 ILE A CG2 1176 C CD1 . ILE A 166 ? 0.6695 0.6786 0.6442 -0.0020 -0.0333 0.0040 233 ILE A CD1 1177 N N . ASN A 167 ? 0.5230 0.5346 0.5124 0.0051 -0.0306 -0.0019 234 ASN A N 1178 C CA . ASN A 167 ? 0.5607 0.5710 0.5536 0.0063 -0.0315 -0.0027 234 ASN A CA 1179 C C . ASN A 167 ? 0.5778 0.5868 0.5680 0.0059 -0.0304 -0.0032 234 ASN A C 1180 O O . ASN A 167 ? 0.5876 0.5937 0.5783 0.0059 -0.0322 -0.0028 234 ASN A O 1181 C CB . ASN A 167 ? 0.6656 0.6730 0.6605 0.0064 -0.0353 -0.0013 234 ASN A CB 1182 C CG . ASN A 167 ? 0.6811 0.6884 0.6821 0.0084 -0.0360 -0.0028 234 ASN A CG 1183 O OD1 . ASN A 167 ? 0.7479 0.7579 0.7520 0.0097 -0.0337 -0.0049 234 ASN A OD1 1184 N ND2 . ASN A 167 ? 0.8497 0.8536 0.8521 0.0086 -0.0391 -0.0017 234 ASN A ND2 1185 N N . GLY A 168 ? 0.5091 0.5201 0.4967 0.0055 -0.0277 -0.0039 235 GLY A N 1186 C CA . GLY A 168 ? 0.5734 0.5837 0.5588 0.0051 -0.0265 -0.0045 235 GLY A CA 1187 C C . GLY A 168 ? 0.5511 0.5593 0.5311 0.0031 -0.0271 -0.0030 235 GLY A C 1188 O O . GLY A 168 ? 0.6078 0.6157 0.5856 0.0025 -0.0260 -0.0035 235 GLY A O 1189 N N . THR A 169 ? 0.5628 0.5695 0.5407 0.0018 -0.0288 -0.0013 236 THR A N 1190 C CA . THR A 169 ? 0.5786 0.5834 0.5512 -0.0003 -0.0291 0.0000 236 THR A CA 1191 C C . THR A 169 ? 0.5461 0.5531 0.5159 -0.0012 -0.0274 0.0002 236 THR A C 1192 O O . THR A 169 ? 0.5485 0.5560 0.5189 -0.0012 -0.0281 0.0008 236 THR A O 1193 C CB . THR A 169 ? 0.5690 0.5699 0.5403 -0.0016 -0.0324 0.0018 236 THR A CB 1194 O OG1 . THR A 169 ? 0.5517 0.5501 0.5251 -0.0008 -0.0340 0.0017 236 THR A OG1 1195 C CG2 . THR A 169 ? 0.6286 0.6278 0.5942 -0.0041 -0.0324 0.0030 236 THR A CG2 1196 N N . CYS A 170 ? 0.4699 0.4780 0.4368 -0.0019 -0.0255 -0.0002 237 CYS A N 1197 C CA . CYS A 170 ? 0.5039 0.5140 0.4684 -0.0026 -0.0237 -0.0002 237 CYS A CA 1198 C C . CYS A 170 ? 0.5018 0.5101 0.4617 -0.0050 -0.0242 0.0008 237 CYS A C 1199 O O . CYS A 170 ? 0.4813 0.4877 0.4394 -0.0062 -0.0249 0.0011 237 CYS A O 1200 C CB . CYS A 170 ? 0.5194 0.5324 0.4840 -0.0018 -0.0210 -0.0016 237 CYS A CB 1201 S SG . CYS A 170 ? 0.6452 0.6604 0.6145 0.0006 -0.0200 -0.0032 237 CYS A SG 1202 N N . THR A 171 ? 0.4952 0.5042 0.4533 -0.0059 -0.0237 0.0014 238 THR A N 1203 C CA . THR A 171 ? 0.5257 0.5332 0.4795 -0.0084 -0.0240 0.0022 238 THR A CA 1204 C C . THR A 171 ? 0.4932 0.5033 0.4454 -0.0087 -0.0214 0.0014 238 THR A C 1205 O O . THR A 171 ? 0.4714 0.4836 0.4252 -0.0074 -0.0201 0.0009 238 THR A O 1206 C CB . THR A 171 ? 0.6015 0.6067 0.5542 -0.0097 -0.0263 0.0037 238 THR A CB 1207 O OG1 . THR A 171 ? 0.6259 0.6292 0.5739 -0.0124 -0.0266 0.0045 238 THR A OG1 1208 C CG2 . THR A 171 ? 0.5813 0.5883 0.5350 -0.0091 -0.0256 0.0036 238 THR A CG2 1209 N N . VAL A 172 ? 0.4891 0.4988 0.4381 -0.0105 -0.0207 0.0014 239 VAL A N 1210 C CA . VAL A 172 ? 0.4992 0.5111 0.4467 -0.0110 -0.0183 0.0006 239 VAL A CA 1211 C C . VAL A 172 ? 0.5160 0.5264 0.4595 -0.0138 -0.0184 0.0010 239 VAL A C 1212 O O . VAL A 172 ? 0.4800 0.4882 0.4216 -0.0153 -0.0196 0.0015 239 VAL A O 1213 C CB . VAL A 172 ? 0.5683 0.5828 0.5174 -0.0095 -0.0166 -0.0006 239 VAL A CB 1214 C CG1 . VAL A 172 ? 0.6100 0.6234 0.5577 -0.0106 -0.0170 -0.0008 239 VAL A CG1 1215 C CG2 . VAL A 172 ? 0.6603 0.6774 0.6088 -0.0094 -0.0144 -0.0014 239 VAL A CG2 1216 N N . VAL A 173 ? 0.4771 0.4886 0.4191 -0.0146 -0.0169 0.0006 240 VAL A N 1217 C CA . VAL A 173 ? 0.4747 0.4852 0.4129 -0.0175 -0.0166 0.0007 240 VAL A CA 1218 C C . VAL A 173 ? 0.4722 0.4852 0.4101 -0.0176 -0.0142 -0.0006 240 VAL A C 1219 O O . VAL A 173 ? 0.4990 0.5149 0.4391 -0.0158 -0.0125 -0.0015 240 VAL A O 1220 C CB . VAL A 173 ? 0.5086 0.5188 0.4454 -0.0185 -0.0163 0.0011 240 VAL A CB 1221 C CG1 . VAL A 173 ? 0.5094 0.5182 0.4418 -0.0218 -0.0160 0.0011 240 VAL A CG1 1222 C CG2 . VAL A 173 ? 0.5158 0.5241 0.4534 -0.0181 -0.0187 0.0024 240 VAL A CG2 1223 N N . MET A 174 ? 0.4751 0.4872 0.4103 -0.0200 -0.0141 -0.0007 241 MET A N 1224 C CA . MET A 174 ? 0.5021 0.5167 0.4371 -0.0203 -0.0119 -0.0022 241 MET A CA 1225 C C . MET A 174 ? 0.5449 0.5587 0.4762 -0.0237 -0.0112 -0.0025 241 MET A C 1226 O O . MET A 174 ? 0.5216 0.5322 0.4498 -0.0260 -0.0127 -0.0014 241 MET A O 1227 C CB . MET A 174 ? 0.5190 0.5339 0.4551 -0.0198 -0.0123 -0.0024 241 MET A CB 1228 C CG . MET A 174 ? 0.5907 0.6066 0.5303 -0.0167 -0.0128 -0.0024 241 MET A CG 1229 S SD . MET A 174 ? 0.6633 0.6805 0.6042 -0.0160 -0.0125 -0.0033 241 MET A SD 1230 C CE . MET A 174 ? 0.6441 0.6658 0.5866 -0.0150 -0.0099 -0.0048 241 MET A CE 1231 N N . THR A 175 ? 0.5404 0.5569 0.4719 -0.0240 -0.0088 -0.0040 242 THR A N 1232 C CA . THR A 175 ? 0.5294 0.5455 0.4576 -0.0272 -0.0077 -0.0046 242 THR A CA 1233 C C . THR A 175 ? 0.5537 0.5726 0.4828 -0.0275 -0.0059 -0.0062 242 THR A C 1234 O O . THR A 175 ? 0.5785 0.6005 0.5110 -0.0251 -0.0049 -0.0071 242 THR A O 1235 C CB . THR A 175 ? 0.5440 0.5608 0.4718 -0.0276 -0.0064 -0.0052 242 THR A CB 1236 O OG1 . THR A 175 ? 0.5924 0.6067 0.5193 -0.0276 -0.0082 -0.0036 242 THR A OG1 1237 C CG2 . THR A 175 ? 0.5842 0.6008 0.5085 -0.0312 -0.0049 -0.0062 242 THR A CG2 1238 N N . ASP A 176 ? 0.5392 0.5570 0.4650 -0.0307 -0.0057 -0.0065 243 ASP A N 1239 C CA . ASP A 176 ? 0.5491 0.5698 0.4755 -0.0316 -0.0038 -0.0083 243 ASP A CA 1240 C C . ASP A 176 ? 0.5998 0.6202 0.5229 -0.0353 -0.0023 -0.0092 243 ASP A C 1241 O O . ASP A 176 ? 0.6001 0.6171 0.5192 -0.0379 -0.0033 -0.0082 243 ASP A O 1242 C CB . ASP A 176 ? 0.5267 0.5463 0.4525 -0.0321 -0.0050 -0.0078 243 ASP A CB 1243 C CG . ASP A 176 ? 0.5606 0.5839 0.4884 -0.0320 -0.0033 -0.0096 243 ASP A CG 1244 O OD1 . ASP A 176 ? 0.5969 0.6234 0.5258 -0.0324 -0.0011 -0.0113 243 ASP A OD1 1245 O OD2 . ASP A 176 ? 0.5943 0.6172 0.5224 -0.0317 -0.0042 -0.0093 243 ASP A OD2 1246 N N . GLY A 177 ? 0.6921 0.7160 0.6168 -0.0354 0.0001 -0.0113 244 GLY A N 1247 C CA . GLY A 177 ? 0.7407 0.7645 0.6622 -0.0392 0.0017 -0.0125 244 GLY A CA 1248 C C . GLY A 177 ? 0.8541 0.8799 0.7769 -0.0389 0.0039 -0.0139 244 GLY A C 1249 O O . GLY A 177 ? 0.7999 0.8272 0.7261 -0.0356 0.0040 -0.0139 244 GLY A O 1250 N N . SER A 178 ? 0.8689 0.8946 0.7887 -0.0425 0.0056 -0.0152 245 SER A N 1251 C CA . SER A 178 ? 1.0358 1.0644 0.9575 -0.0424 0.0084 -0.0174 245 SER A CA 1252 C C . SER A 178 ? 1.1164 1.1432 1.0377 -0.0414 0.0079 -0.0165 245 SER A C 1253 O O . SER A 178 ? 1.1250 1.1482 1.0421 -0.0437 0.0066 -0.0152 245 SER A O 1254 C CB . SER A 178 ? 1.0627 1.0915 0.9810 -0.0469 0.0105 -0.0192 245 SER A CB 1255 O OG . SER A 178 ? 0.9994 1.0302 0.9191 -0.0471 0.0130 -0.0213 245 SER A OG 1256 N N . ALA A 179 ? 1.1229 1.1521 1.0487 -0.0379 0.0087 -0.0172 246 ALA A N 1257 C CA . ALA A 179 ? 1.1575 1.1856 1.0834 -0.0369 0.0088 -0.0168 246 ALA A CA 1258 C C . ALA A 179 ? 1.2941 1.3203 1.2157 -0.0408 0.0101 -0.0176 246 ALA A C 1259 O O . ALA A 179 ? 1.3448 1.3688 1.2650 -0.0407 0.0094 -0.0166 246 ALA A O 1260 C CB . ALA A 179 ? 1.0825 1.1140 1.0137 -0.0333 0.0103 -0.0181 246 ALA A CB 1261 N N . SER A 180 ? 1.4252 1.4522 1.3446 -0.0442 0.0119 -0.0193 247 SER A N 1262 C CA . SER A 180 ? 1.3853 1.4103 1.2999 -0.0485 0.0133 -0.0202 247 SER A CA 1263 C C . SER A 180 ? 1.4299 1.4508 1.3382 -0.0524 0.0111 -0.0182 247 SER A C 1264 O O . SER A 180 ? 1.3659 1.3836 1.2700 -0.0547 0.0102 -0.0172 247 SER A O 1265 C CB . SER A 180 ? 1.3109 1.3393 1.2265 -0.0506 0.0169 -0.0235 247 SER A CB 1266 O OG . SER A 180 ? 1.2478 1.2805 1.1691 -0.0477 0.0183 -0.0253 247 SER A OG 1267 N N . GLY A 181 ? 1.4454 1.4662 1.3529 -0.0533 0.0102 -0.0177 248 GLY A N 1268 C CA . GLY A 181 ? 1.3917 1.4087 1.2929 -0.0576 0.0088 -0.0165 248 GLY A CA 1269 C C . GLY A 181 ? 1.4935 1.5098 1.3944 -0.0576 0.0072 -0.0154 248 GLY A C 1270 O O . GLY A 181 ? 1.4348 1.4544 1.3386 -0.0570 0.0087 -0.0170 248 GLY A O 1271 N N . ARG A 182 ? 1.5168 1.5288 1.4142 -0.0586 0.0040 -0.0127 249 ARG A N 1272 C CA . ARG A 182 ? 1.4048 1.4152 1.3024 -0.0576 0.0016 -0.0110 249 ARG A CA 1273 C C . ARG A 182 ? 1.1995 1.2122 1.1031 -0.0523 0.0009 -0.0106 249 ARG A C 1274 O O . ARG A 182 ? 1.2731 1.2893 1.1807 -0.0502 0.0020 -0.0119 249 ARG A O 1275 C CB . ARG A 182 ? 1.5152 1.5267 1.4115 -0.0601 0.0030 -0.0123 249 ARG A CB 1276 C CG . ARG A 182 ? 1.5432 1.5529 1.4336 -0.0656 0.0042 -0.0131 249 ARG A CG 1277 C CD . ARG A 182 ? 1.5242 1.5347 1.4128 -0.0686 0.0055 -0.0143 249 ARG A CD 1278 N NE . ARG A 182 ? 1.5556 1.5649 1.4387 -0.0738 0.0073 -0.0155 249 ARG A NE 1279 C CZ . ARG A 182 ? 1.4621 1.4738 1.3443 -0.0769 0.0102 -0.0180 249 ARG A CZ 1280 N NH1 . ARG A 182 ? 1.5207 1.5363 1.4073 -0.0752 0.0116 -0.0197 249 ARG A NH1 1281 N NH2 . ARG A 182 ? 1.3621 1.3723 1.2389 -0.0818 0.0118 -0.0189 249 ARG A NH2 1282 N N . ALA A 183 ? 0.9312 0.9422 0.8354 -0.0504 -0.0008 -0.0090 250 ALA A N 1283 C CA . ALA A 183 ? 0.8428 0.8550 0.7519 -0.0457 -0.0021 -0.0082 250 ALA A CA 1284 C C . ALA A 183 ? 0.7513 0.7597 0.6590 -0.0454 -0.0055 -0.0056 250 ALA A C 1285 O O . ALA A 183 ? 0.8091 0.8140 0.7131 -0.0475 -0.0072 -0.0041 250 ALA A O 1286 C CB . ALA A 183 ? 0.7543 0.7675 0.6656 -0.0435 -0.0015 -0.0084 250 ALA A CB 1287 N N . ASP A 184 ? 0.6760 0.6850 0.5867 -0.0427 -0.0065 -0.0051 251 ASP A N 1288 C CA . ASP A 184 ? 0.6194 0.6248 0.5289 -0.0427 -0.0096 -0.0030 251 ASP A CA 1289 C C . ASP A 184 ? 0.5637 0.5699 0.4778 -0.0384 -0.0109 -0.0022 251 ASP A C 1290 O O . ASP A 184 ? 0.5675 0.5762 0.4854 -0.0356 -0.0102 -0.0030 251 ASP A O 1291 C CB . ASP A 184 ? 0.6644 0.6694 0.5725 -0.0443 -0.0095 -0.0034 251 ASP A CB 1292 C CG . ASP A 184 ? 0.7127 0.7135 0.6194 -0.0445 -0.0126 -0.0013 251 ASP A CG 1293 O OD1 . ASP A 184 ? 0.7879 0.7873 0.6965 -0.0421 -0.0147 0.0000 251 ASP A OD1 1294 O OD2 . ASP A 184 ? 0.6954 0.6945 0.5993 -0.0469 -0.0129 -0.0012 251 ASP A OD2 1295 N N . THR A 185 ? 0.5330 0.5369 0.4465 -0.0380 -0.0127 -0.0007 252 THR A N 1296 C CA . THR A 185 ? 0.5244 0.5287 0.4416 -0.0345 -0.0140 0.0000 252 THR A CA 1297 C C . THR A 185 ? 0.5540 0.5551 0.4714 -0.0340 -0.0171 0.0017 252 THR A C 1298 O O . THR A 185 ? 0.4913 0.4887 0.4049 -0.0365 -0.0190 0.0031 252 THR A O 1299 C CB . THR A 185 ? 0.5066 0.5107 0.4236 -0.0345 -0.0141 0.0003 252 THR A CB 1300 O OG1 . THR A 185 ? 0.5848 0.5921 0.5027 -0.0343 -0.0111 -0.0014 252 THR A OG1 1301 C CG2 . THR A 185 ? 0.5509 0.5553 0.4717 -0.0311 -0.0155 0.0012 252 THR A CG2 1302 N N . ARG A 186 ? 0.5803 0.5827 0.5018 -0.0307 -0.0174 0.0016 253 ARG A N 1303 C CA . ARG A 186 ? 0.5873 0.5870 0.5098 -0.0297 -0.0201 0.0029 253 ARG A CA 1304 C C . ARG A 186 ? 0.5782 0.5794 0.5054 -0.0261 -0.0206 0.0031 253 ARG A C 1305 O O . ARG A 186 ? 0.6052 0.6097 0.5351 -0.0240 -0.0188 0.0019 253 ARG A O 1306 C CB . ARG A 186 ? 0.6212 0.6209 0.5438 -0.0299 -0.0198 0.0024 253 ARG A CB 1307 C CG . ARG A 186 ? 0.6355 0.6337 0.5533 -0.0338 -0.0192 0.0023 253 ARG A CG 1308 C CD . ARG A 186 ? 0.6065 0.6036 0.5234 -0.0347 -0.0194 0.0020 253 ARG A CD 1309 N NE . ARG A 186 ? 0.5450 0.5417 0.4576 -0.0385 -0.0181 0.0014 253 ARG A NE 1310 C CZ . ARG A 186 ? 0.5160 0.5113 0.4262 -0.0406 -0.0181 0.0013 253 ARG A CZ 1311 N NH1 . ARG A 186 ? 0.5451 0.5393 0.4570 -0.0393 -0.0193 0.0015 253 ARG A NH1 1312 N NH2 . ARG A 186 ? 0.5181 0.5129 0.4242 -0.0443 -0.0169 0.0007 253 ARG A NH2 1313 N N . ILE A 187 ? 0.5713 0.5696 0.4992 -0.0255 -0.0234 0.0045 254 ILE A N 1314 C CA . ILE A 187 ? 0.5603 0.5596 0.4925 -0.0224 -0.0242 0.0046 254 ILE A CA 1315 C C . ILE A 187 ? 0.5446 0.5430 0.4793 -0.0208 -0.0253 0.0046 254 ILE A C 1316 O O . ILE A 187 ? 0.5606 0.5554 0.4938 -0.0219 -0.0275 0.0058 254 ILE A O 1317 C CB . ILE A 187 ? 0.5723 0.5695 0.5042 -0.0227 -0.0265 0.0062 254 ILE A CB 1318 C CG1 . ILE A 187 ? 0.5369 0.5352 0.4667 -0.0242 -0.0253 0.0060 254 ILE A CG1 1319 C CG2 . ILE A 187 ? 0.6277 0.6260 0.5645 -0.0195 -0.0273 0.0061 254 ILE A CG2 1320 C CD1 . ILE A 187 ? 0.5876 0.5839 0.5120 -0.0280 -0.0251 0.0064 254 ILE A CD1 1321 N N . LEU A 188 ? 0.5529 0.5543 0.4911 -0.0182 -0.0237 0.0034 255 LEU A N 1322 C CA . LEU A 188 ? 0.5235 0.5247 0.4643 -0.0165 -0.0241 0.0029 255 LEU A CA 1323 C C . LEU A 188 ? 0.5011 0.5023 0.4461 -0.0140 -0.0254 0.0031 255 LEU A C 1324 O O . LEU A 188 ? 0.5456 0.5487 0.4924 -0.0127 -0.0249 0.0030 255 LEU A O 1325 C CB . LEU A 188 ? 0.5017 0.5064 0.4438 -0.0154 -0.0215 0.0012 255 LEU A CB 1326 C CG . LEU A 188 ? 0.5319 0.5368 0.4708 -0.0177 -0.0204 0.0007 255 LEU A CG 1327 C CD1 . LEU A 188 ? 0.5494 0.5550 0.4854 -0.0198 -0.0193 0.0007 255 LEU A CD1 1328 C CD2 . LEU A 188 ? 0.5613 0.5695 0.5021 -0.0163 -0.0184 -0.0007 255 LEU A CD2 1329 N N . PHE A 189 ? 0.4600 0.4589 0.4064 -0.0134 -0.0271 0.0034 256 PHE A N 1330 C CA . PHE A 189 ? 0.4825 0.4813 0.4333 -0.0109 -0.0283 0.0033 256 PHE A CA 1331 C C . PHE A 189 ? 0.4721 0.4718 0.4254 -0.0094 -0.0273 0.0020 256 PHE A C 1332 O O . PHE A 189 ? 0.5133 0.5113 0.4649 -0.0104 -0.0275 0.0019 256 PHE A O 1333 C CB . PHE A 189 ? 0.4870 0.4817 0.4376 -0.0116 -0.0316 0.0050 256 PHE A CB 1334 C CG . PHE A 189 ? 0.4792 0.4727 0.4272 -0.0134 -0.0329 0.0064 256 PHE A CG 1335 C CD1 . PHE A 189 ? 0.5265 0.5179 0.4692 -0.0165 -0.0331 0.0073 256 PHE A CD1 1336 C CD2 . PHE A 189 ? 0.5480 0.5425 0.4984 -0.0122 -0.0337 0.0068 256 PHE A CD2 1337 C CE1 . PHE A 189 ? 0.5616 0.5517 0.5014 -0.0184 -0.0343 0.0086 256 PHE A CE1 1338 C CE2 . PHE A 189 ? 0.5946 0.5879 0.5423 -0.0141 -0.0350 0.0081 256 PHE A CE2 1339 C CZ . PHE A 189 ? 0.5594 0.5504 0.5017 -0.0172 -0.0352 0.0091 256 PHE A CZ 1340 N N . ILE A 190 ? 0.5107 0.5135 0.4677 -0.0071 -0.0260 0.0008 257 ILE A N 1341 C CA . ILE A 190 ? 0.5318 0.5364 0.4905 -0.0058 -0.0243 -0.0007 257 ILE A CA 1342 C C . ILE A 190 ? 0.5387 0.5439 0.5020 -0.0035 -0.0246 -0.0015 257 ILE A C 1343 O O . ILE A 190 ? 0.5769 0.5835 0.5424 -0.0024 -0.0246 -0.0015 257 ILE A O 1344 C CB . ILE A 190 ? 0.5667 0.5750 0.5244 -0.0056 -0.0217 -0.0016 257 ILE A CB 1345 C CG1 . ILE A 190 ? 0.6011 0.6091 0.5547 -0.0079 -0.0212 -0.0011 257 ILE A CG1 1346 C CG2 . ILE A 190 ? 0.5869 0.5972 0.5460 -0.0045 -0.0201 -0.0031 257 ILE A CG2 1347 C CD1 . ILE A 190 ? 0.5747 0.5858 0.5275 -0.0079 -0.0192 -0.0015 257 ILE A CD1 1348 N N . LYS A 191 ? 0.5249 0.5292 0.4897 -0.0029 -0.0247 -0.0024 258 LYS A N 1349 C CA . LYS A 191 ? 0.5464 0.5510 0.5158 -0.0008 -0.0250 -0.0034 258 LYS A CA 1350 C C . LYS A 191 ? 0.5214 0.5280 0.4915 -0.0001 -0.0228 -0.0052 258 LYS A C 1351 O O . LYS A 191 ? 0.4818 0.4871 0.4503 -0.0010 -0.0227 -0.0055 258 LYS A O 1352 C CB . LYS A 191 ? 0.6292 0.6297 0.5997 -0.0009 -0.0276 -0.0027 258 LYS A CB 1353 C CG . LYS A 191 ? 0.8025 0.8030 0.7781 0.0010 -0.0288 -0.0030 258 LYS A CG 1354 C CD . LYS A 191 ? 0.9587 0.9549 0.9357 0.0010 -0.0318 -0.0021 258 LYS A CD 1355 C CE . LYS A 191 ? 0.9714 0.9649 0.9451 -0.0007 -0.0342 0.0002 258 LYS A CE 1356 N NZ . LYS A 191 ? 0.9659 0.9553 0.9413 -0.0005 -0.0376 0.0014 258 LYS A NZ 1357 N N . GLU A 192 ? 0.5235 0.5332 0.4958 0.0012 -0.0211 -0.0064 259 GLU A N 1358 C CA . GLU A 192 ? 0.5637 0.5758 0.5364 0.0018 -0.0190 -0.0081 259 GLU A CA 1359 C C . GLU A 192 ? 0.5539 0.5668 0.5229 0.0004 -0.0180 -0.0080 259 GLU A C 1360 O O . GLU A 192 ? 0.5495 0.5624 0.5181 0.0001 -0.0173 -0.0089 259 GLU A O 1361 C CB . GLU A 192 ? 0.5874 0.5980 0.5630 0.0026 -0.0193 -0.0093 259 GLU A CB 1362 C CG . GLU A 192 ? 0.7116 0.7226 0.6918 0.0043 -0.0197 -0.0101 259 GLU A CG 1363 C CD . GLU A 192 ? 0.8672 0.8769 0.8505 0.0051 -0.0198 -0.0117 259 GLU A CD 1364 O OE1 . GLU A 192 ? 1.0497 1.0559 1.0334 0.0049 -0.0217 -0.0111 259 GLU A OE1 1365 O OE2 . GLU A 192 ? 0.9097 0.9217 0.8949 0.0059 -0.0178 -0.0136 259 GLU A OE2 1366 N N . GLY A 193 ? 0.5312 0.5447 0.4976 -0.0005 -0.0179 -0.0068 260 GLY A N 1367 C CA . GLY A 193 ? 0.5365 0.5509 0.4996 -0.0019 -0.0170 -0.0068 260 GLY A CA 1368 C C . GLY A 193 ? 0.5531 0.5648 0.5136 -0.0038 -0.0181 -0.0061 260 GLY A C 1369 O O . GLY A 193 ? 0.5798 0.5925 0.5376 -0.0051 -0.0173 -0.0060 260 GLY A O 1370 N N . LYS A 194 ? 0.5579 0.5661 0.5191 -0.0040 -0.0199 -0.0057 261 LYS A N 1371 C CA . LYS A 194 ? 0.5992 0.6043 0.5577 -0.0060 -0.0212 -0.0048 261 LYS A CA 1372 C C . LYS A 194 ? 0.5729 0.5759 0.5293 -0.0073 -0.0227 -0.0031 261 LYS A C 1373 O O . LYS A 194 ? 0.5395 0.5414 0.4977 -0.0064 -0.0242 -0.0023 261 LYS A O 1374 C CB . LYS A 194 ? 0.7022 0.7037 0.6623 -0.0057 -0.0229 -0.0049 261 LYS A CB 1375 C CG . LYS A 194 ? 0.9203 0.9230 0.8829 -0.0044 -0.0217 -0.0067 261 LYS A CG 1376 C CD . LYS A 194 ? 1.0889 1.0928 1.0492 -0.0056 -0.0202 -0.0077 261 LYS A CD 1377 C CE . LYS A 194 ? 1.1325 1.1381 1.0954 -0.0042 -0.0189 -0.0096 261 LYS A CE 1378 N NZ . LYS A 194 ? 1.0598 1.0669 1.0204 -0.0055 -0.0175 -0.0105 261 LYS A NZ 1379 N N . ILE A 195 ? 0.5614 0.5639 0.5141 -0.0095 -0.0226 -0.0025 262 ILE A N 1380 C CA . ILE A 195 ? 0.5314 0.5316 0.4814 -0.0112 -0.0240 -0.0009 262 ILE A CA 1381 C C . ILE A 195 ? 0.5835 0.5789 0.5332 -0.0119 -0.0267 0.0002 262 ILE A C 1382 O O . ILE A 195 ? 0.5826 0.5758 0.5309 -0.0130 -0.0271 0.0000 262 ILE A O 1383 C CB . ILE A 195 ? 0.6014 0.6022 0.5474 -0.0137 -0.0229 -0.0009 262 ILE A CB 1384 C CG1 . ILE A 195 ? 0.5886 0.5941 0.5353 -0.0129 -0.0204 -0.0020 262 ILE A CG1 1385 C CG2 . ILE A 195 ? 0.5883 0.5865 0.5311 -0.0158 -0.0243 0.0006 262 ILE A CG2 1386 C CD1 . ILE A 195 ? 0.6795 0.6865 0.6233 -0.0148 -0.0190 -0.0025 262 ILE A CD1 1387 N N . VAL A 196 ? 0.5555 0.5492 0.5065 -0.0113 -0.0287 0.0013 263 VAL A N 1388 C CA . VAL A 196 ? 0.5463 0.5353 0.4974 -0.0117 -0.0316 0.0026 263 VAL A CA 1389 C C . VAL A 196 ? 0.5783 0.5640 0.5251 -0.0143 -0.0335 0.0046 263 VAL A C 1390 O O . VAL A 196 ? 0.5568 0.5382 0.5024 -0.0153 -0.0358 0.0058 263 VAL A O 1391 C CB . VAL A 196 ? 0.5884 0.5769 0.5445 -0.0091 -0.0330 0.0025 263 VAL A CB 1392 C CG1 . VAL A 196 ? 0.6318 0.6227 0.5917 -0.0069 -0.0313 0.0004 263 VAL A CG1 1393 C CG2 . VAL A 196 ? 0.5789 0.5694 0.5363 -0.0083 -0.0333 0.0031 263 VAL A CG2 1394 N N . HIS A 197 ? 0.5650 0.5526 0.5095 -0.0154 -0.0325 0.0049 264 HIS A N 1395 C CA . HIS A 197 ? 0.5502 0.5349 0.4903 -0.0182 -0.0341 0.0067 264 HIS A CA 1396 C C . HIS A 197 ? 0.5307 0.5184 0.4683 -0.0195 -0.0319 0.0062 264 HIS A C 1397 O O . HIS A 197 ? 0.5530 0.5447 0.4931 -0.0177 -0.0299 0.0050 264 HIS A O 1398 C CB . HIS A 197 ? 0.6056 0.5878 0.5470 -0.0177 -0.0371 0.0083 264 HIS A CB 1399 C CG . HIS A 197 ? 0.6958 0.6740 0.6324 -0.0208 -0.0393 0.0103 264 HIS A CG 1400 N ND1 . HIS A 197 ? 0.7059 0.6848 0.6394 -0.0226 -0.0391 0.0110 264 HIS A ND1 1401 C CD2 . HIS A 197 ? 0.7275 0.7008 0.6613 -0.0226 -0.0418 0.0118 264 HIS A CD2 1402 C CE1 . HIS A 197 ? 0.7119 0.6866 0.6409 -0.0255 -0.0413 0.0128 264 HIS A CE1 1403 N NE2 . HIS A 197 ? 0.7934 0.7646 0.7224 -0.0256 -0.0430 0.0134 264 HIS A NE2 1404 N N . ILE A 198 ? 0.5082 0.4941 0.4409 -0.0227 -0.0320 0.0070 265 ILE A N 1405 C CA . ILE A 198 ? 0.5306 0.5189 0.4606 -0.0243 -0.0300 0.0065 265 ILE A CA 1406 C C . ILE A 198 ? 0.5952 0.5801 0.5208 -0.0273 -0.0319 0.0083 265 ILE A C 1407 O O . ILE A 198 ? 0.5855 0.5666 0.5078 -0.0296 -0.0335 0.0094 265 ILE A O 1408 C CB . ILE A 198 ? 0.5351 0.5253 0.4631 -0.0259 -0.0275 0.0052 265 ILE A CB 1409 C CG1 . ILE A 198 ? 0.5633 0.5564 0.4951 -0.0232 -0.0260 0.0036 265 ILE A CG1 1410 C CG2 . ILE A 198 ? 0.5737 0.5666 0.4995 -0.0273 -0.0253 0.0045 265 ILE A CG2 1411 C CD1 . ILE A 198 ? 0.5990 0.5953 0.5298 -0.0241 -0.0233 0.0020 265 ILE A CD1 1412 N N . SER A 199 ? 0.5582 0.5445 0.4836 -0.0274 -0.0317 0.0086 266 SER A N 1413 C CA . SER A 199 ? 0.6124 0.5957 0.5334 -0.0304 -0.0333 0.0102 266 SER A CA 1414 C C . SER A 199 ? 0.6436 0.6291 0.5614 -0.0326 -0.0307 0.0092 266 SER A C 1415 O O . SER A 199 ? 0.5527 0.5423 0.4729 -0.0309 -0.0282 0.0077 266 SER A O 1416 C CB . SER A 199 ? 0.6416 0.6242 0.5646 -0.0291 -0.0355 0.0114 266 SER A CB 1417 O OG . SER A 199 ? 0.6839 0.6646 0.6103 -0.0270 -0.0381 0.0122 266 SER A OG 1418 N N . PRO A 200 ? 0.5725 0.5552 0.4848 -0.0364 -0.0313 0.0100 267 PRO A N 1419 C CA . PRO A 200 ? 0.5654 0.5502 0.4748 -0.0386 -0.0287 0.0090 267 PRO A CA 1420 C C . PRO A 200 ? 0.5895 0.5749 0.4991 -0.0384 -0.0291 0.0094 267 PRO A C 1421 O O . PRO A 200 ? 0.5809 0.5642 0.4913 -0.0377 -0.0319 0.0111 267 PRO A O 1422 C CB . PRO A 200 ? 0.5329 0.5139 0.4360 -0.0431 -0.0296 0.0099 267 PRO A CB 1423 C CG . PRO A 200 ? 0.5587 0.5349 0.4612 -0.0431 -0.0336 0.0123 267 PRO A CG 1424 C CD . PRO A 200 ? 0.5467 0.5242 0.4553 -0.0388 -0.0343 0.0120 267 PRO A CD 1425 N N . LEU A 201 ? 0.6063 0.5948 0.5154 -0.0389 -0.0262 0.0079 268 LEU A N 1426 C CA . LEU A 201 ? 0.6694 0.6582 0.5777 -0.0395 -0.0263 0.0083 268 LEU A CA 1427 C C . LEU A 201 ? 0.6702 0.6549 0.5730 -0.0433 -0.0286 0.0100 268 LEU A C 1428 O O . LEU A 201 ? 0.6665 0.6492 0.5648 -0.0465 -0.0284 0.0101 268 LEU A O 1429 C CB . LEU A 201 ? 0.6925 0.6848 0.6006 -0.0400 -0.0227 0.0062 268 LEU A CB 1430 C CG . LEU A 201 ? 0.6567 0.6492 0.5635 -0.0409 -0.0225 0.0063 268 LEU A CG 1431 C CD1 . LEU A 201 ? 0.6444 0.6382 0.5559 -0.0374 -0.0235 0.0067 268 LEU A CD1 1432 C CD2 . LEU A 201 ? 0.7412 0.7367 0.6473 -0.0419 -0.0188 0.0042 268 LEU A CD2 1433 N N . SER A 202 ? 0.7103 0.6938 0.6133 -0.0431 -0.0307 0.0113 269 SER A N 1434 C CA . SER A 202 ? 0.7136 0.6932 0.6113 -0.0467 -0.0330 0.0131 269 SER A CA 1435 C C . SER A 202 ? 0.6920 0.6726 0.5894 -0.0470 -0.0330 0.0131 269 SER A C 1436 O O . SER A 202 ? 0.7000 0.6839 0.6021 -0.0439 -0.0318 0.0122 269 SER A O 1437 C CB . SER A 202 ? 0.7151 0.6912 0.6137 -0.0458 -0.0370 0.0152 269 SER A CB 1438 O OG . SER A 202 ? 0.8030 0.7749 0.6967 -0.0490 -0.0399 0.0173 269 SER A OG 1439 N N . GLY A 203 ? 0.6623 0.6402 0.5541 -0.0509 -0.0342 0.0142 270 GLY A N 1440 C CA . GLY A 203 ? 0.5766 0.5551 0.4674 -0.0519 -0.0341 0.0143 270 GLY A CA 1441 C C . GLY A 203 ? 0.5727 0.5529 0.4600 -0.0547 -0.0305 0.0123 270 GLY A C 1442 O O . GLY A 203 ? 0.6048 0.5843 0.4886 -0.0572 -0.0290 0.0116 270 GLY A O 1443 N N . SER A 204 ? 0.5933 0.5757 0.4815 -0.0543 -0.0288 0.0113 271 SER A N 1444 C CA . SER A 204 ? 0.5943 0.5779 0.4790 -0.0572 -0.0254 0.0093 271 SER A CA 1445 C C . SER A 204 ? 0.6194 0.6074 0.5081 -0.0547 -0.0212 0.0065 271 SER A C 1446 O O . SER A 204 ? 0.5989 0.5882 0.4854 -0.0569 -0.0181 0.0047 271 SER A O 1447 C CB . SER A 204 ? 0.6432 0.6254 0.5245 -0.0598 -0.0264 0.0100 271 SER A CB 1448 O OG . SER A 204 ? 0.6277 0.6117 0.5135 -0.0567 -0.0271 0.0102 271 SER A OG 1449 N N . ALA A 205 ? 0.5902 0.5806 0.4848 -0.0504 -0.0209 0.0062 272 ALA A N 1450 C CA . ALA A 205 ? 0.6322 0.6266 0.5306 -0.0479 -0.0173 0.0038 272 ALA A CA 1451 C C . ALA A 205 ? 0.6362 0.6315 0.5331 -0.0495 -0.0149 0.0023 272 ALA A C 1452 O O . ALA A 205 ? 0.6369 0.6307 0.5327 -0.0500 -0.0162 0.0031 272 ALA A O 1453 C CB . ALA A 205 ? 0.6178 0.6141 0.5223 -0.0432 -0.0179 0.0040 272 ALA A CB 1454 N N . GLN A 206 ? 0.6951 0.6931 0.5926 -0.0496 -0.0114 0.0000 273 GLN A N 1455 C CA . GLN A 206 ? 0.7217 0.7206 0.6175 -0.0517 -0.0091 -0.0015 273 GLN A CA 1456 C C . GLN A 206 ? 0.8038 0.8063 0.7041 -0.0488 -0.0068 -0.0033 273 GLN A C 1457 O O . GLN A 206 ? 0.8529 0.8557 0.7523 -0.0500 -0.0061 -0.0039 273 GLN A O 1458 C CB . GLN A 206 ? 0.7103 0.7090 0.6020 -0.0555 -0.0069 -0.0030 273 GLN A CB 1459 C CG . GLN A 206 ? 0.8173 0.8117 0.7025 -0.0598 -0.0092 -0.0013 273 GLN A CG 1460 C CD . GLN A 206 ? 0.8717 0.8657 0.7525 -0.0638 -0.0072 -0.0026 273 GLN A CD 1461 O OE1 . GLN A 206 ? 0.9864 0.9780 0.8637 -0.0660 -0.0088 -0.0014 273 GLN A OE1 1462 N NE2 . GLN A 206 ? 0.8568 0.8533 0.7380 -0.0648 -0.0035 -0.0053 273 GLN A NE2 1463 N N . HIS A 207 ? 0.7292 0.7345 0.6343 -0.0452 -0.0056 -0.0042 274 HIS A N 1464 C CA . HIS A 207 ? 0.7252 0.7340 0.6347 -0.0425 -0.0035 -0.0058 274 HIS A CA 1465 C C . HIS A 207 ? 0.7928 0.8022 0.7064 -0.0385 -0.0049 -0.0048 274 HIS A C 1466 O O . HIS A 207 ? 0.8319 0.8406 0.7454 -0.0382 -0.0053 -0.0043 274 HIS A O 1467 C CB . HIS A 207 ? 0.7500 0.7616 0.6603 -0.0430 0.0000 -0.0084 274 HIS A CB 1468 C CG . HIS A 207 ? 1.0023 1.0129 0.9080 -0.0475 0.0014 -0.0096 274 HIS A CG 1469 N ND1 . HIS A 207 ? 1.1700 1.1821 1.0751 -0.0492 0.0031 -0.0110 274 HIS A ND1 1470 C CD2 . HIS A 207 ? 1.1218 1.1302 1.0229 -0.0510 0.0016 -0.0095 274 HIS A CD2 1471 C CE1 . HIS A 207 ? 1.2655 1.2763 1.1659 -0.0535 0.0043 -0.0119 274 HIS A CE1 1472 N NE2 . HIS A 207 ? 1.2550 1.2635 1.1528 -0.0547 0.0034 -0.0110 274 HIS A NE2 1473 N N . ILE A 208 ? 0.7219 0.7322 0.6385 -0.0360 -0.0059 -0.0042 275 ILE A N 1474 C CA . ILE A 208 ? 0.6251 0.6360 0.5455 -0.0323 -0.0070 -0.0034 275 ILE A CA 1475 C C . ILE A 208 ? 0.6669 0.6811 0.5915 -0.0293 -0.0056 -0.0045 275 ILE A C 1476 O O . ILE A 208 ? 0.5511 0.5660 0.4759 -0.0295 -0.0054 -0.0049 275 ILE A O 1477 C CB . ILE A 208 ? 0.6308 0.6393 0.5509 -0.0321 -0.0102 -0.0014 275 ILE A CB 1478 C CG1 . ILE A 208 ? 0.6763 0.6813 0.5923 -0.0350 -0.0123 0.0000 275 ILE A CG1 1479 C CG2 . ILE A 208 ? 0.6592 0.6688 0.5837 -0.0283 -0.0110 -0.0009 275 ILE A CG2 1480 C CD1 . ILE A 208 ? 0.7046 0.7090 0.6220 -0.0337 -0.0138 0.0011 275 ILE A CD1 1481 N N . GLU A 209 ? 0.6334 0.6492 0.5612 -0.0266 -0.0047 -0.0049 276 GLU A N 1482 C CA . GLU A 209 ? 0.6409 0.6596 0.5727 -0.0235 -0.0037 -0.0057 276 GLU A CA 1483 C C . GLU A 209 ? 0.5334 0.5521 0.4678 -0.0206 -0.0045 -0.0049 276 GLU A C 1484 O O . GLU A 209 ? 0.5192 0.5367 0.4530 -0.0209 -0.0049 -0.0043 276 GLU A O 1485 C CB . GLU A 209 ? 0.8400 0.8610 0.7727 -0.0234 -0.0008 -0.0076 276 GLU A CB 1486 C CG . GLU A 209 ? 1.0292 1.0526 0.9627 -0.0238 0.0009 -0.0093 276 GLU A CG 1487 C CD . GLU A 209 ? 1.0552 1.0778 0.9859 -0.0266 0.0004 -0.0093 276 GLU A CD 1488 O OE1 . GLU A 209 ? 1.3209 1.3417 1.2481 -0.0298 0.0007 -0.0094 276 GLU A OE1 1489 O OE2 . GLU A 209 ? 1.2373 1.2607 1.1691 -0.0259 -0.0001 -0.0092 276 GLU A OE2 1490 N N . GLU A 210 ? 0.4813 0.5016 0.4187 -0.0181 -0.0047 -0.0049 277 GLU A N 1491 C CA . GLU A 210 ? 0.4790 0.5003 0.4193 -0.0152 -0.0047 -0.0046 277 GLU A CA 1492 C C . GLU A 210 ? 0.4584 0.4778 0.3985 -0.0152 -0.0063 -0.0034 277 GLU A C 1493 O O . GLU A 210 ? 0.5240 0.5435 0.4647 -0.0145 -0.0056 -0.0035 277 GLU A O 1494 C CB . GLU A 210 ? 0.4986 0.5218 0.4402 -0.0142 -0.0024 -0.0059 277 GLU A CB 1495 C CG . GLU A 210 ? 0.4866 0.5123 0.4297 -0.0135 -0.0011 -0.0071 277 GLU A CG 1496 C CD . GLU A 210 ? 0.5600 0.5873 0.5042 -0.0130 0.0010 -0.0085 277 GLU A CD 1497 O OE1 . GLU A 210 ? 0.5660 0.5923 0.5094 -0.0136 0.0017 -0.0086 277 GLU A OE1 1498 O OE2 . GLU A 210 ? 0.5370 0.5667 0.4833 -0.0117 0.0020 -0.0094 277 GLU A OE2 1499 N N . CYS A 211 ? 0.4818 0.4995 0.4212 -0.0158 -0.0084 -0.0023 278 CYS A N 1500 C CA . CYS A 211 ? 0.5171 0.5331 0.4566 -0.0159 -0.0102 -0.0011 278 CYS A CA 1501 C C . CYS A 211 ? 0.5343 0.5515 0.4772 -0.0130 -0.0102 -0.0011 278 CYS A C 1502 O O . CYS A 211 ? 0.5037 0.5223 0.4488 -0.0112 -0.0099 -0.0014 278 CYS A O 1503 C CB . CYS A 211 ? 0.5210 0.5349 0.4594 -0.0169 -0.0126 0.0000 278 CYS A CB 1504 S SG . CYS A 211 ? 0.6485 0.6601 0.5820 -0.0208 -0.0130 0.0002 278 CYS A SG 1505 N N . SER A 212 ? 0.4675 0.4843 0.4107 -0.0130 -0.0104 -0.0007 279 SER A N 1506 C CA . SER A 212 ? 0.4496 0.4671 0.3956 -0.0110 -0.0109 -0.0005 279 SER A CA 1507 C C . SER A 212 ? 0.4679 0.4839 0.4143 -0.0115 -0.0133 0.0005 279 SER A C 1508 O O . SER A 212 ? 0.5446 0.5591 0.4892 -0.0132 -0.0143 0.0011 279 SER A O 1509 C CB . SER A 212 ? 0.4648 0.4829 0.4110 -0.0106 -0.0094 -0.0009 279 SER A CB 1510 O OG . SER A 212 ? 0.5280 0.5471 0.4736 -0.0105 -0.0072 -0.0019 279 SER A OG 1511 N N . CYS A 213 ? 0.4854 0.5017 0.4342 -0.0099 -0.0144 0.0007 280 CYS A N 1512 C CA . CYS A 213 ? 0.4663 0.4812 0.4162 -0.0101 -0.0169 0.0016 280 CYS A CA 1513 C C . CYS A 213 ? 0.5275 0.5435 0.4811 -0.0082 -0.0174 0.0015 280 CYS A C 1514 O O . CYS A 213 ? 0.4943 0.5121 0.4498 -0.0064 -0.0157 0.0007 280 CYS A O 1515 C CB . CYS A 213 ? 0.5000 0.5140 0.4499 -0.0100 -0.0179 0.0018 280 CYS A CB 1516 S SG . CYS A 213 ? 0.5271 0.5399 0.4727 -0.0126 -0.0174 0.0018 280 CYS A SG 1517 N N . TYR A 214 ? 0.5337 0.5485 0.4883 -0.0086 -0.0197 0.0024 281 TYR A N 1518 C CA . TYR A 214 ? 0.4515 0.4674 0.4100 -0.0070 -0.0203 0.0022 281 TYR A CA 1519 C C . TYR A 214 ? 0.5321 0.5466 0.4924 -0.0070 -0.0233 0.0031 281 TYR A C 1520 O O . TYR A 214 ? 0.4954 0.5076 0.4534 -0.0087 -0.0252 0.0042 281 TYR A O 1521 C CB . TYR A 214 ? 0.5348 0.5515 0.4931 -0.0074 -0.0196 0.0021 281 TYR A CB 1522 C CG . TYR A 214 ? 0.5214 0.5365 0.4771 -0.0096 -0.0209 0.0031 281 TYR A CG 1523 C CD1 . TYR A 214 ? 0.4831 0.4977 0.4404 -0.0100 -0.0233 0.0039 281 TYR A CD1 1524 C CD2 . TYR A 214 ? 0.5342 0.5484 0.4858 -0.0115 -0.0198 0.0031 281 TYR A CD2 1525 C CE1 . TYR A 214 ? 0.4841 0.4972 0.4387 -0.0122 -0.0247 0.0048 281 TYR A CE1 1526 C CE2 . TYR A 214 ? 0.5339 0.5466 0.4828 -0.0138 -0.0209 0.0039 281 TYR A CE2 1527 C CZ . TYR A 214 ? 0.4856 0.4977 0.4358 -0.0143 -0.0235 0.0048 281 TYR A CZ 1528 O OH . TYR A 214 ? 0.5372 0.5478 0.4844 -0.0167 -0.0247 0.0056 281 TYR A OH 1529 N N . PRO A 215 ? 0.5276 0.5434 0.4922 -0.0051 -0.0237 0.0025 282 PRO A N 1530 C CA . PRO A 215 ? 0.5527 0.5673 0.5199 -0.0047 -0.0264 0.0032 282 PRO A CA 1531 C C . PRO A 215 ? 0.5255 0.5398 0.4931 -0.0056 -0.0282 0.0040 282 PRO A C 1532 O O . PRO A 215 ? 0.5691 0.5852 0.5373 -0.0055 -0.0269 0.0035 282 PRO A O 1533 C CB . PRO A 215 ? 0.5341 0.5507 0.5060 -0.0023 -0.0257 0.0019 282 PRO A CB 1534 C CG . PRO A 215 ? 0.5173 0.5362 0.4891 -0.0017 -0.0228 0.0008 282 PRO A CG 1535 C CD . PRO A 215 ? 0.5589 0.5771 0.5260 -0.0032 -0.0214 0.0012 282 PRO A CD 1536 N N . ARG A 216 ? 0.4960 0.5081 0.4634 -0.0066 -0.0312 0.0053 283 ARG A N 1537 C CA . ARG A 216 ? 0.5475 0.5591 0.5154 -0.0076 -0.0337 0.0064 283 ARG A CA 1538 C C . ARG A 216 ? 0.5201 0.5300 0.4907 -0.0069 -0.0370 0.0072 283 ARG A C 1539 O O . ARG A 216 ? 0.5221 0.5291 0.4901 -0.0085 -0.0394 0.0088 283 ARG A O 1540 C CB . ARG A 216 ? 0.5723 0.5820 0.5345 -0.0104 -0.0339 0.0074 283 ARG A CB 1541 C CG . ARG A 216 ? 0.5646 0.5739 0.5265 -0.0118 -0.0359 0.0084 283 ARG A CG 1542 C CD . ARG A 216 ? 0.6244 0.6321 0.5802 -0.0147 -0.0353 0.0091 283 ARG A CD 1543 N NE . ARG A 216 ? 0.6664 0.6740 0.6215 -0.0162 -0.0369 0.0098 283 ARG A NE 1544 C CZ . ARG A 216 ? 0.6959 0.7017 0.6509 -0.0173 -0.0405 0.0114 283 ARG A CZ 1545 N NH1 . ARG A 216 ? 0.7001 0.7037 0.6554 -0.0171 -0.0430 0.0125 283 ARG A NH1 1546 N NH2 . ARG A 216 ? 0.6718 0.6778 0.6263 -0.0187 -0.0418 0.0120 283 ARG A NH2 1547 N N . TYR A 217 ? 0.5425 0.5543 0.5187 -0.0046 -0.0370 0.0062 284 TYR A N 1548 C CA . TYR A 217 ? 0.6096 0.6202 0.5895 -0.0032 -0.0394 0.0064 284 TYR A CA 1549 C C . TYR A 217 ? 0.5967 0.6045 0.5760 -0.0045 -0.0435 0.0084 284 TYR A C 1550 O O . TYR A 217 ? 0.6094 0.6178 0.5885 -0.0054 -0.0446 0.0090 284 TYR A O 1551 C CB . TYR A 217 ? 0.6382 0.6519 0.6247 -0.0007 -0.0387 0.0047 284 TYR A CB 1552 C CG . TYR A 217 ? 0.6621 0.6746 0.6530 0.0008 -0.0408 0.0045 284 TYR A CG 1553 C CD1 . TYR A 217 ? 0.6197 0.6318 0.6110 0.0019 -0.0393 0.0035 284 TYR A CD1 1554 C CD2 . TYR A 217 ? 0.6477 0.6594 0.6422 0.0012 -0.0444 0.0055 284 TYR A CD2 1555 C CE1 . TYR A 217 ? 0.6992 0.7101 0.6945 0.0034 -0.0411 0.0032 284 TYR A CE1 1556 C CE2 . TYR A 217 ? 0.6903 0.7006 0.6889 0.0029 -0.0464 0.0053 284 TYR A CE2 1557 C CZ . TYR A 217 ? 0.7393 0.7492 0.7383 0.0039 -0.0446 0.0041 284 TYR A CZ 1558 O OH . TYR A 217 ? 0.8650 0.8734 0.8682 0.0055 -0.0465 0.0038 284 TYR A OH 1559 N N . PRO A 218 ? 0.6455 0.6503 0.6243 -0.0046 -0.0457 0.0094 285 PRO A N 1560 C CA . PRO A 218 ? 0.6802 0.6838 0.6590 -0.0037 -0.0448 0.0088 285 PRO A CA 1561 C C . PRO A 218 ? 0.6313 0.6334 0.6038 -0.0056 -0.0429 0.0090 285 PRO A C 1562 O O . PRO A 218 ? 0.6718 0.6727 0.6439 -0.0052 -0.0424 0.0087 285 PRO A O 1563 C CB . PRO A 218 ? 0.6607 0.6609 0.6410 -0.0036 -0.0489 0.0103 285 PRO A CB 1564 C CG . PRO A 218 ? 0.6763 0.6745 0.6528 -0.0060 -0.0514 0.0123 285 PRO A CG 1565 C CD . PRO A 218 ? 0.6632 0.6649 0.6403 -0.0062 -0.0498 0.0116 285 PRO A CD 1566 N N . ASP A 219 ? 0.6567 0.6591 0.6248 -0.0076 -0.0418 0.0095 286 ASP A N 1567 C CA . ASP A 219 ? 0.6267 0.6279 0.5892 -0.0095 -0.0401 0.0096 286 ASP A CA 1568 C C . ASP A 219 ? 0.6140 0.6182 0.5755 -0.0092 -0.0361 0.0081 286 ASP A C 1569 O O . ASP A 219 ? 0.5292 0.5362 0.4942 -0.0074 -0.0345 0.0068 286 ASP A O 1570 C CB . ASP A 219 ? 0.6601 0.6586 0.6177 -0.0125 -0.0421 0.0115 286 ASP A CB 1571 C CG . ASP A 219 ? 0.8242 0.8194 0.7825 -0.0129 -0.0463 0.0132 286 ASP A CG 1572 O OD1 . ASP A 219 ? 0.7993 0.7928 0.7588 -0.0120 -0.0471 0.0132 286 ASP A OD1 1573 O OD2 . ASP A 219 ? 0.8976 0.8920 0.8558 -0.0138 -0.0489 0.0145 286 ASP A OD2 1574 N N . VAL A 220 ? 0.5209 0.5242 0.4776 -0.0111 -0.0347 0.0082 287 VAL A N 1575 C CA . VAL A 220 ? 0.5021 0.5077 0.4573 -0.0111 -0.0313 0.0070 287 VAL A CA 1576 C C . VAL A 220 ? 0.5143 0.5188 0.4645 -0.0138 -0.0308 0.0075 287 VAL A C 1577 O O . VAL A 220 ? 0.5218 0.5237 0.4685 -0.0160 -0.0324 0.0087 287 VAL A O 1578 C CB . VAL A 220 ? 0.4881 0.4942 0.4429 -0.0103 -0.0294 0.0059 287 VAL A CB 1579 C CG1 . VAL A 220 ? 0.4983 0.5065 0.4514 -0.0105 -0.0262 0.0048 287 VAL A CG1 1580 C CG2 . VAL A 220 ? 0.4904 0.4978 0.4501 -0.0076 -0.0294 0.0050 287 VAL A CG2 1581 N N . ARG A 221 ? 0.5566 0.5632 0.5064 -0.0138 -0.0285 0.0067 288 ARG A N 1582 C CA . ARG A 221 ? 0.5231 0.5291 0.4685 -0.0163 -0.0277 0.0069 288 ARG A CA 1583 C C . ARG A 221 ? 0.5801 0.5881 0.5247 -0.0158 -0.0242 0.0054 288 ARG A C 1584 O O . ARG A 221 ? 0.5775 0.5877 0.5251 -0.0136 -0.0226 0.0044 288 ARG A O 1585 C CB . ARG A 221 ? 0.5539 0.5600 0.4997 -0.0168 -0.0287 0.0074 288 ARG A CB 1586 C CG . ARG A 221 ? 0.6205 0.6260 0.5620 -0.0194 -0.0277 0.0074 288 ARG A CG 1587 C CD . ARG A 221 ? 0.6341 0.6390 0.5755 -0.0205 -0.0297 0.0084 288 ARG A CD 1588 N NE . ARG A 221 ? 0.6105 0.6126 0.5501 -0.0223 -0.0332 0.0101 288 ARG A NE 1589 C CZ . ARG A 221 ? 0.6309 0.6322 0.5705 -0.0234 -0.0358 0.0113 288 ARG A CZ 1590 N NH1 . ARG A 221 ? 0.6771 0.6802 0.6187 -0.0228 -0.0354 0.0108 288 ARG A NH1 1591 N NH2 . ARG A 221 ? 0.6154 0.6137 0.5528 -0.0251 -0.0391 0.0130 288 ARG A NH2 1592 N N . CYS A 222 ? 0.5309 0.5380 0.4714 -0.0180 -0.0230 0.0052 289 CYS A N 1593 C CA . CYS A 222 ? 0.5154 0.5243 0.4551 -0.0178 -0.0200 0.0039 289 CYS A CA 1594 C C . CYS A 222 ? 0.5157 0.5242 0.4520 -0.0201 -0.0188 0.0036 289 CYS A C 1595 O O . CYS A 222 ? 0.5263 0.5327 0.4593 -0.0227 -0.0202 0.0045 289 CYS A O 1596 C CB . CYS A 222 ? 0.5713 0.5800 0.5098 -0.0182 -0.0193 0.0035 289 CYS A CB 1597 S SG . CYS A 222 ? 0.6108 0.6195 0.5526 -0.0159 -0.0207 0.0037 289 CYS A SG 1598 N N . VAL A 223 ? 0.5621 0.5725 0.4991 -0.0192 -0.0161 0.0023 290 VAL A N 1599 C CA . VAL A 223 ? 0.5405 0.5508 0.4747 -0.0211 -0.0144 0.0017 290 VAL A CA 1600 C C . VAL A 223 ? 0.5266 0.5385 0.4610 -0.0205 -0.0118 0.0003 290 VAL A C 1601 O O . VAL A 223 ? 0.5381 0.5518 0.4753 -0.0180 -0.0108 -0.0002 290 VAL A O 1602 C CB . VAL A 223 ? 0.5240 0.5349 0.4592 -0.0206 -0.0138 0.0014 290 VAL A CB 1603 C CG1 . VAL A 223 ? 0.5656 0.5764 0.4980 -0.0225 -0.0117 0.0004 290 VAL A CG1 1604 C CG2 . VAL A 223 ? 0.6020 0.6116 0.5373 -0.0213 -0.0165 0.0028 290 VAL A CG2 1605 N N . CYS A 224 ? 0.5694 0.5806 0.5004 -0.0229 -0.0108 -0.0002 291 CYS A N 1606 C CA . CYS A 224 ? 0.5820 0.5946 0.5131 -0.0227 -0.0089 -0.0014 291 CYS A CA 1607 C C . CYS A 224 ? 0.5450 0.5584 0.4747 -0.0240 -0.0063 -0.0029 291 CYS A C 1608 O O . CYS A 224 ? 0.5261 0.5391 0.4551 -0.0245 -0.0056 -0.0032 291 CYS A O 1609 C CB . CYS A 224 ? 0.5859 0.5972 0.5149 -0.0245 -0.0102 -0.0008 291 CYS A CB 1610 S SG . CYS A 224 ? 0.5736 0.5833 0.5040 -0.0234 -0.0135 0.0008 291 CYS A SG 1611 N N . ARG A 225 ? 0.5056 0.5203 0.4353 -0.0242 -0.0046 -0.0041 292 ARG A N 1612 C CA . ARG A 225 ? 0.5699 0.5857 0.4989 -0.0252 -0.0019 -0.0059 292 ARG A CA 1613 C C . ARG A 225 ? 0.5788 0.5938 0.5043 -0.0286 -0.0016 -0.0064 292 ARG A C 1614 O O . ARG A 225 ? 0.5635 0.5786 0.4887 -0.0288 -0.0023 -0.0061 292 ARG A O 1615 C CB . ARG A 225 ? 0.5984 0.6169 0.5310 -0.0224 -0.0003 -0.0070 292 ARG A CB 1616 C CG . ARG A 225 ? 0.5996 0.6198 0.5325 -0.0230 0.0024 -0.0090 292 ARG A CG 1617 C CD . ARG A 225 ? 0.5567 0.5796 0.4934 -0.0200 0.0033 -0.0097 292 ARG A CD 1618 N NE . ARG A 225 ? 0.5925 0.6172 0.5301 -0.0204 0.0057 -0.0117 292 ARG A NE 1619 C CZ . ARG A 225 ? 0.5976 0.6249 0.5387 -0.0180 0.0068 -0.0127 292 ARG A CZ 1620 N NH1 . ARG A 225 ? 0.5894 0.6175 0.5330 -0.0152 0.0058 -0.0117 292 ARG A NH1 1621 N NH2 . ARG A 225 ? 0.6923 0.7213 0.6343 -0.0186 0.0089 -0.0146 292 ARG A NH2 1622 N N . ASP A 226 ? 0.6316 0.6455 0.5540 -0.0313 -0.0005 -0.0071 293 ASP A N 1623 C CA . ASP A 226 ? 0.5883 0.6017 0.5071 -0.0349 0.0005 -0.0081 293 ASP A CA 1624 C C . ASP A 226 ? 0.5896 0.6057 0.5106 -0.0341 0.0037 -0.0105 293 ASP A C 1625 O O . ASP A 226 ? 0.6522 0.6688 0.5741 -0.0336 0.0054 -0.0116 293 ASP A O 1626 C CB . ASP A 226 ? 0.6377 0.6484 0.5518 -0.0385 -0.0001 -0.0075 293 ASP A CB 1627 C CG . ASP A 226 ? 0.6997 0.7095 0.6093 -0.0427 0.0008 -0.0084 293 ASP A CG 1628 O OD1 . ASP A 226 ? 0.6652 0.6771 0.5758 -0.0429 0.0034 -0.0105 293 ASP A OD1 1629 O OD2 . ASP A 226 ? 0.7015 0.7083 0.6066 -0.0457 -0.0011 -0.0070 293 ASP A OD2 1630 N N . ASN A 227 ? 0.6112 0.6289 0.5332 -0.0340 0.0044 -0.0113 294 ASN A N 1631 C CA . ASN A 227 ? 0.6706 0.6914 0.5954 -0.0330 0.0070 -0.0134 294 ASN A CA 1632 C C . ASN A 227 ? 0.7078 0.7290 0.6304 -0.0361 0.0096 -0.0156 294 ASN A C 1633 O O . ASN A 227 ? 0.6452 0.6690 0.5706 -0.0352 0.0120 -0.0177 294 ASN A O 1634 C CB . ASN A 227 ? 0.8240 0.8456 0.7492 -0.0329 0.0060 -0.0130 294 ASN A CB 1635 C CG . ASN A 227 ? 1.0211 1.0460 0.9505 -0.0303 0.0075 -0.0143 294 ASN A CG 1636 O OD1 . ASN A 227 ? 1.1863 1.2127 1.1191 -0.0275 0.0083 -0.0148 294 ASN A OD1 1637 N ND2 . ASN A 227 ? 1.0814 1.1076 1.0109 -0.0311 0.0076 -0.0149 294 ASN A ND2 1638 N N . TRP A 228 ? 0.6758 0.6945 0.5935 -0.0400 0.0091 -0.0151 295 TRP A N 1639 C CA . TRP A 228 ? 0.7506 0.7695 0.6655 -0.0436 0.0114 -0.0171 295 TRP A CA 1640 C C . TRP A 228 ? 0.7323 0.7490 0.6429 -0.0470 0.0120 -0.0175 295 TRP A C 1641 O O . TRP A 228 ? 0.6374 0.6553 0.5483 -0.0481 0.0148 -0.0198 295 TRP A O 1642 C CB . TRP A 228 ? 0.8698 0.8882 0.7821 -0.0460 0.0104 -0.0166 295 TRP A CB 1643 C CG . TRP A 228 ? 1.0607 1.0803 0.9710 -0.0494 0.0132 -0.0191 295 TRP A CG 1644 C CD1 . TRP A 228 ? 1.1047 1.1221 1.0093 -0.0542 0.0132 -0.0191 295 TRP A CD1 1645 C CD2 . TRP A 228 ? 1.1806 1.2039 1.0947 -0.0485 0.0165 -0.0220 295 TRP A CD2 1646 N NE1 . TRP A 228 ? 1.1335 1.1532 1.0381 -0.0564 0.0165 -0.0220 295 TRP A NE1 1647 C CE2 . TRP A 228 ? 1.1836 1.2070 1.0942 -0.0529 0.0186 -0.0239 295 TRP A CE2 1648 C CE3 . TRP A 228 ? 1.2585 1.2850 1.1786 -0.0444 0.0177 -0.0232 295 TRP A CE3 1649 C CZ2 . TRP A 228 ? 1.2337 1.2606 1.1473 -0.0532 0.0220 -0.0272 295 TRP A CZ2 1650 C CZ3 . TRP A 228 ? 1.2582 1.2881 1.1813 -0.0446 0.0209 -0.0263 295 TRP A CZ3 1651 C CH2 . TRP A 228 ? 1.2262 1.2563 1.1462 -0.0488 0.0231 -0.0283 295 TRP A CH2 1652 N N . LYS A 229 ? 0.6855 0.6990 0.5924 -0.0485 0.0094 -0.0152 296 LYS A N 1653 C CA . LYS A 229 ? 0.7776 0.7888 0.6798 -0.0522 0.0098 -0.0154 296 LYS A CA 1654 C C . LYS A 229 ? 0.7750 0.7846 0.6771 -0.0512 0.0085 -0.0142 296 LYS A C 1655 O O . LYS A 229 ? 0.7747 0.7828 0.6734 -0.0540 0.0092 -0.0148 296 LYS A O 1656 C CB . LYS A 229 ? 0.9688 0.9772 0.8653 -0.0563 0.0079 -0.0141 296 LYS A CB 1657 C CG . LYS A 229 ? 1.1158 1.1255 1.0112 -0.0585 0.0098 -0.0158 296 LYS A CG 1658 C CD . LYS A 229 ? 1.2607 1.2699 1.1519 -0.0629 0.0124 -0.0179 296 LYS A CD 1659 C CE . LYS A 229 ? 1.2624 1.2748 1.1555 -0.0636 0.0158 -0.0208 296 LYS A CE 1660 N NZ . LYS A 229 ? 1.3006 1.3119 1.1881 -0.0691 0.0178 -0.0224 296 LYS A NZ 1661 N N . GLY A 230 ? 0.7332 0.7432 0.6390 -0.0474 0.0066 -0.0127 297 GLY A N 1662 C CA . GLY A 230 ? 0.7722 0.7806 0.6777 -0.0467 0.0050 -0.0113 297 GLY A CA 1663 C C . GLY A 230 ? 0.7248 0.7351 0.6355 -0.0424 0.0059 -0.0117 297 GLY A C 1664 O O . GLY A 230 ? 0.6731 0.6850 0.5877 -0.0391 0.0055 -0.0114 297 GLY A O 1665 N N . SER A 231 ? 0.6163 0.6260 0.5267 -0.0426 0.0068 -0.0122 298 SER A N 1666 C CA . SER A 231 ? 0.6026 0.6131 0.5170 -0.0390 0.0069 -0.0120 298 SER A CA 1667 C C . SER A 231 ? 0.6129 0.6219 0.5270 -0.0385 0.0038 -0.0097 298 SER A C 1668 O O . SER A 231 ? 0.5591 0.5687 0.4763 -0.0356 0.0034 -0.0092 298 SER A O 1669 C CB . SER A 231 ? 0.5963 0.6070 0.5110 -0.0394 0.0097 -0.0141 298 SER A CB 1670 O OG . SER A 231 ? 0.6855 0.6942 0.5956 -0.0433 0.0099 -0.0143 298 SER A OG 1671 N N . ASN A 232 ? 0.5513 0.5583 0.4615 -0.0413 0.0015 -0.0082 299 ASN A N 1672 C CA . ASN A 232 ? 0.5743 0.5801 0.4848 -0.0404 -0.0018 -0.0058 299 ASN A CA 1673 C C . ASN A 232 ? 0.6079 0.6145 0.5210 -0.0382 -0.0034 -0.0047 299 ASN A C 1674 O O . ASN A 232 ? 0.5769 0.5839 0.4892 -0.0389 -0.0027 -0.0053 299 ASN A O 1675 C CB . ASN A 232 ? 0.5952 0.5984 0.5009 -0.0442 -0.0039 -0.0045 299 ASN A CB 1676 C CG . ASN A 232 ? 0.6091 0.6109 0.5102 -0.0479 -0.0040 -0.0047 299 ASN A CG 1677 O OD1 . ASN A 232 ? 0.5719 0.5749 0.4730 -0.0483 -0.0016 -0.0063 299 ASN A OD1 1678 N ND2 . ASN A 232 ? 0.6182 0.6175 0.5154 -0.0506 -0.0068 -0.0029 299 ASN A ND2 1679 N N . ARG A 233 ? 0.5565 0.5634 0.4727 -0.0354 -0.0054 -0.0033 300 ARG A N 1680 C CA . ARG A 233 ? 0.5454 0.5532 0.4644 -0.0330 -0.0065 -0.0026 300 ARG A CA 1681 C C . ARG A 233 ? 0.5230 0.5288 0.4399 -0.0345 -0.0097 -0.0007 300 ARG A C 1682 O O . ARG A 233 ? 0.5358 0.5399 0.4514 -0.0356 -0.0120 0.0006 300 ARG A O 1683 C CB . ARG A 233 ? 0.5795 0.5888 0.5031 -0.0292 -0.0068 -0.0023 300 ARG A CB 1684 C CG . ARG A 233 ? 0.5407 0.5519 0.4667 -0.0272 -0.0039 -0.0039 300 ARG A CG 1685 C CD . ARG A 233 ? 0.5589 0.5715 0.4891 -0.0236 -0.0042 -0.0035 300 ARG A CD 1686 N NE . ARG A 233 ? 0.5617 0.5759 0.4941 -0.0217 -0.0017 -0.0049 300 ARG A NE 1687 C CZ . ARG A 233 ? 0.5249 0.5406 0.4586 -0.0206 -0.0002 -0.0059 300 ARG A CZ 1688 N NH1 . ARG A 233 ? 0.6247 0.6407 0.5577 -0.0213 -0.0008 -0.0058 300 ARG A NH1 1689 N NH2 . ARG A 233 ? 0.5327 0.5496 0.4683 -0.0189 0.0017 -0.0070 300 ARG A NH2 1690 N N . PRO A 234 ? 0.5631 0.5691 0.4801 -0.0343 -0.0100 -0.0006 301 PRO A N 1691 C CA . PRO A 234 ? 0.5894 0.5933 0.5052 -0.0351 -0.0131 0.0011 301 PRO A CA 1692 C C . PRO A 234 ? 0.5652 0.5692 0.4847 -0.0322 -0.0154 0.0024 301 PRO A C 1693 O O . PRO A 234 ? 0.5874 0.5936 0.5109 -0.0292 -0.0144 0.0018 301 PRO A O 1694 C CB . PRO A 234 ? 0.5799 0.5843 0.4955 -0.0351 -0.0122 0.0004 301 PRO A CB 1695 C CG . PRO A 234 ? 0.6066 0.6134 0.5228 -0.0351 -0.0087 -0.0016 301 PRO A CG 1696 C CD . PRO A 234 ? 0.5706 0.5786 0.4891 -0.0333 -0.0075 -0.0023 301 PRO A CD 1697 N N . VAL A 235 ? 0.5672 0.5689 0.4854 -0.0333 -0.0185 0.0042 302 VAL A N 1698 C CA . VAL A 235 ? 0.5778 0.5796 0.4997 -0.0308 -0.0210 0.0054 302 VAL A CA 1699 C C . VAL A 235 ? 0.5684 0.5682 0.4896 -0.0312 -0.0232 0.0066 302 VAL A C 1700 O O . VAL A 235 ? 0.6207 0.6180 0.5376 -0.0343 -0.0244 0.0074 302 VAL A O 1701 C CB . VAL A 235 ? 0.5611 0.5617 0.4826 -0.0317 -0.0232 0.0066 302 VAL A CB 1702 C CG1 . VAL A 235 ? 0.5993 0.6004 0.5254 -0.0288 -0.0254 0.0075 302 VAL A CG1 1703 C CG2 . VAL A 235 ? 0.6486 0.6507 0.5700 -0.0318 -0.0208 0.0054 302 VAL A CG2 1704 N N . ILE A 236 ? 0.5179 0.5187 0.4432 -0.0283 -0.0237 0.0066 303 ILE A N 1705 C CA . ILE A 236 ? 0.5336 0.5324 0.4588 -0.0283 -0.0259 0.0077 303 ILE A CA 1706 C C . ILE A 236 ? 0.5766 0.5752 0.5058 -0.0260 -0.0285 0.0087 303 ILE A C 1707 O O . ILE A 236 ? 0.7049 0.7059 0.6384 -0.0231 -0.0275 0.0078 303 ILE A O 1708 C CB . ILE A 236 ? 0.4322 0.4325 0.3583 -0.0272 -0.0239 0.0064 303 ILE A CB 1709 C CG1 . ILE A 236 ? 0.4719 0.4725 0.3941 -0.0298 -0.0215 0.0054 303 ILE A CG1 1710 C CG2 . ILE A 236 ? 0.4614 0.4593 0.3872 -0.0275 -0.0263 0.0076 303 ILE A CG2 1711 C CD1 . ILE A 236 ? 0.5373 0.5401 0.4612 -0.0284 -0.0192 0.0039 303 ILE A CD1 1712 N N . ASP A 237 ? 0.6201 0.6157 0.5479 -0.0273 -0.0318 0.0104 304 ASP A N 1713 C CA . ASP A 237 ? 0.6375 0.6326 0.5696 -0.0250 -0.0346 0.0114 304 ASP A CA 1714 C C . ASP A 237 ? 0.6118 0.6053 0.5449 -0.0242 -0.0358 0.0118 304 ASP A C 1715 O O . ASP A 237 ? 0.6461 0.6370 0.5752 -0.0265 -0.0365 0.0125 304 ASP A O 1716 C CB . ASP A 237 ? 0.6638 0.6565 0.5947 -0.0265 -0.0381 0.0133 304 ASP A CB 1717 C CG . ASP A 237 ? 0.7064 0.7011 0.6386 -0.0263 -0.0377 0.0129 304 ASP A CG 1718 O OD1 . ASP A 237 ? 0.8703 0.8681 0.8061 -0.0239 -0.0353 0.0115 304 ASP A OD1 1719 O OD2 . ASP A 237 ? 0.8330 0.8261 0.7625 -0.0285 -0.0397 0.0142 304 ASP A OD2 1720 N N . ILE A 238 ? 0.5761 0.5711 0.5144 -0.0210 -0.0360 0.0112 305 ILE A N 1721 C CA . ILE A 238 ? 0.5913 0.5853 0.5311 -0.0198 -0.0365 0.0111 305 ILE A CA 1722 C C . ILE A 238 ? 0.5981 0.5912 0.5423 -0.0179 -0.0394 0.0119 305 ILE A C 1723 O O . ILE A 238 ? 0.6657 0.6613 0.6146 -0.0154 -0.0390 0.0111 305 ILE A O 1724 C CB . ILE A 238 ? 0.5342 0.5314 0.4765 -0.0177 -0.0333 0.0092 305 ILE A CB 1725 C CG1 . ILE A 238 ? 0.5225 0.5210 0.4612 -0.0194 -0.0304 0.0083 305 ILE A CG1 1726 C CG2 . ILE A 238 ? 0.5495 0.5456 0.4934 -0.0166 -0.0339 0.0090 305 ILE A CG2 1727 C CD1 . ILE A 238 ? 0.5128 0.5145 0.4538 -0.0173 -0.0274 0.0065 305 ILE A CD1 1728 N N . ASN A 239 ? 0.6128 0.6022 0.5556 -0.0190 -0.0424 0.0134 306 ASN A N 1729 C CA . ASN A 239 ? 0.6071 0.5951 0.5543 -0.0171 -0.0455 0.0142 306 ASN A CA 1730 C C . ASN A 239 ? 0.5651 0.5535 0.5159 -0.0147 -0.0448 0.0131 306 ASN A C 1731 O O . ASN A 239 ? 0.5986 0.5850 0.5469 -0.0157 -0.0446 0.0132 306 ASN A O 1732 C CB . ASN A 239 ? 0.6721 0.6555 0.6159 -0.0194 -0.0493 0.0165 306 ASN A CB 1733 C CG . ASN A 239 ? 0.6884 0.6704 0.6369 -0.0175 -0.0529 0.0175 306 ASN A CG 1734 O OD1 . ASN A 239 ? 0.7661 0.7484 0.7192 -0.0150 -0.0530 0.0167 306 ASN A OD1 1735 N ND2 . ASN A 239 ? 0.6846 0.6652 0.6324 -0.0187 -0.0558 0.0192 306 ASN A ND2 1736 N N . MET A 240 ? 0.5946 0.5858 0.5511 -0.0118 -0.0441 0.0118 307 MET A N 1737 C CA . MET A 240 ? 0.6113 0.6035 0.5713 -0.0095 -0.0427 0.0103 307 MET A CA 1738 C C . MET A 240 ? 0.6628 0.6519 0.6254 -0.0086 -0.0457 0.0111 307 MET A C 1739 O O . MET A 240 ? 0.7183 0.7073 0.6828 -0.0073 -0.0449 0.0100 307 MET A O 1740 C CB . MET A 240 ? 0.5957 0.5922 0.5604 -0.0070 -0.0404 0.0085 307 MET A CB 1741 C CG . MET A 240 ? 0.6354 0.6347 0.5978 -0.0076 -0.0373 0.0077 307 MET A CG 1742 S SD . MET A 240 ? 0.6466 0.6469 0.6057 -0.0083 -0.0341 0.0065 307 MET A SD 1743 C CE . MET A 240 ? 0.6993 0.7022 0.6634 -0.0053 -0.0323 0.0045 307 MET A CE 1744 N N . ALA A 241 ? 0.7263 0.7127 0.6887 -0.0094 -0.0493 0.0130 308 ALA A N 1745 C CA . ALA A 241 ? 0.7264 0.7094 0.6915 -0.0085 -0.0526 0.0139 308 ALA A CA 1746 C C . ALA A 241 ? 0.7542 0.7325 0.7140 -0.0109 -0.0541 0.0154 308 ALA A C 1747 O O . ALA A 241 ? 0.7809 0.7571 0.7423 -0.0100 -0.0547 0.0151 308 ALA A O 1748 C CB . ALA A 241 ? 0.5803 0.5624 0.5480 -0.0081 -0.0562 0.0154 308 ALA A CB 1749 N N . ASP A 242 ? 0.6631 0.6399 0.6167 -0.0141 -0.0542 0.0167 309 ASP A N 1750 C CA . ASP A 242 ? 0.6422 0.6146 0.5902 -0.0168 -0.0554 0.0181 309 ASP A CA 1751 C C . ASP A 242 ? 0.6047 0.5781 0.5471 -0.0192 -0.0521 0.0173 309 ASP A C 1752 O O . ASP A 242 ? 0.6199 0.5899 0.5572 -0.0219 -0.0527 0.0183 309 ASP A O 1753 C CB . ASP A 242 ? 0.6422 0.6105 0.5871 -0.0190 -0.0596 0.0208 309 ASP A CB 1754 C CG . ASP A 242 ? 0.7187 0.6882 0.6594 -0.0215 -0.0590 0.0214 309 ASP A CG 1755 O OD1 . ASP A 242 ? 0.8277 0.8008 0.7672 -0.0218 -0.0554 0.0199 309 ASP A OD1 1756 O OD2 . ASP A 242 ? 0.8150 0.7817 0.7532 -0.0233 -0.0623 0.0235 309 ASP A OD2 1757 N N . TYR A 243 ? 0.6008 0.5788 0.5444 -0.0183 -0.0486 0.0155 310 TYR A N 1758 C CA . TYR A 243 ? 0.6285 0.6083 0.5682 -0.0199 -0.0451 0.0143 310 TYR A CA 1759 C C . TYR A 243 ? 0.6088 0.5871 0.5422 -0.0236 -0.0451 0.0154 310 TYR A C 1760 O O . TYR A 243 ? 0.6232 0.6023 0.5531 -0.0254 -0.0427 0.0145 310 TYR A O 1761 C CB . TYR A 243 ? 0.6576 0.6358 0.5964 -0.0202 -0.0444 0.0137 310 TYR A CB 1762 C CG . TYR A 243 ? 0.6867 0.6663 0.6311 -0.0169 -0.0439 0.0124 310 TYR A CG 1763 C CD1 . TYR A 243 ? 0.7828 0.7668 0.7318 -0.0142 -0.0419 0.0107 310 TYR A CD1 1764 C CD2 . TYR A 243 ? 0.7517 0.7280 0.6967 -0.0166 -0.0454 0.0127 310 TYR A CD2 1765 C CE1 . TYR A 243 ? 0.7725 0.7577 0.7265 -0.0114 -0.0413 0.0093 310 TYR A CE1 1766 C CE2 . TYR A 243 ? 0.7343 0.7119 0.6845 -0.0137 -0.0448 0.0112 310 TYR A CE2 1767 C CZ . TYR A 243 ? 0.7052 0.6873 0.6598 -0.0112 -0.0427 0.0095 310 TYR A CZ 1768 O OH . TYR A 243 ? 0.7586 0.7420 0.7178 -0.0087 -0.0418 0.0079 310 TYR A OH 1769 N N . SER A 244 ? 0.6090 0.5855 0.5411 -0.0248 -0.0478 0.0170 311 SER A N 1770 C CA . SER A 244 ? 0.6041 0.5792 0.5299 -0.0286 -0.0478 0.0180 311 SER A CA 1771 C C . SER A 244 ? 0.6399 0.6192 0.5660 -0.0284 -0.0448 0.0166 311 SER A C 1772 O O . SER A 244 ? 0.5799 0.5625 0.5109 -0.0255 -0.0438 0.0156 311 SER A O 1773 C CB . SER A 244 ? 0.6617 0.6330 0.5856 -0.0302 -0.0520 0.0205 311 SER A CB 1774 O OG . SER A 244 ? 0.6541 0.6272 0.5829 -0.0278 -0.0534 0.0206 311 SER A OG 1775 N N . ILE A 245 ? 0.5470 0.5260 0.4677 -0.0316 -0.0434 0.0166 312 ILE A N 1776 C CA . ILE A 245 ? 0.5553 0.5378 0.4754 -0.0319 -0.0401 0.0150 312 ILE A CA 1777 C C . ILE A 245 ? 0.5661 0.5471 0.4814 -0.0352 -0.0409 0.0160 312 ILE A C 1778 O O . ILE A 245 ? 0.5783 0.5558 0.4886 -0.0384 -0.0425 0.0173 312 ILE A O 1779 C CB . ILE A 245 ? 0.5324 0.5164 0.4505 -0.0328 -0.0367 0.0134 312 ILE A CB 1780 C CG1 . ILE A 245 ? 0.5334 0.5184 0.4553 -0.0302 -0.0361 0.0125 312 ILE A CG1 1781 C CG2 . ILE A 245 ? 0.5568 0.5446 0.4752 -0.0325 -0.0332 0.0116 312 ILE A CG2 1782 C CD1 . ILE A 245 ? 0.5224 0.5110 0.4505 -0.0262 -0.0349 0.0113 312 ILE A CD1 1783 N N . ASP A 246 ? 0.5794 0.5631 0.4959 -0.0346 -0.0394 0.0152 313 ASP A N 1784 C CA . ASP A 246 ? 0.6298 0.6128 0.5414 -0.0380 -0.0391 0.0155 313 ASP A CA 1785 C C . ASP A 246 ? 0.6016 0.5885 0.5142 -0.0373 -0.0352 0.0134 313 ASP A C 1786 O O . ASP A 246 ? 0.6824 0.6723 0.5996 -0.0342 -0.0333 0.0120 313 ASP A O 1787 C CB . ASP A 246 ? 0.6606 0.6418 0.5722 -0.0385 -0.0426 0.0174 313 ASP A CB 1788 C CG . ASP A 246 ? 0.7866 0.7649 0.6912 -0.0432 -0.0437 0.0185 313 ASP A CG 1789 O OD1 . ASP A 246 ? 0.7751 0.7532 0.6751 -0.0460 -0.0413 0.0176 313 ASP A OD1 1790 O OD2 . ASP A 246 ? 0.8868 0.8632 0.7906 -0.0441 -0.0470 0.0203 313 ASP A OD2 1791 N N . SER A 247 ? 0.5705 0.5571 0.4785 -0.0405 -0.0339 0.0130 314 SER A N 1792 C CA . SER A 247 ? 0.5563 0.5460 0.4648 -0.0401 -0.0301 0.0109 314 SER A CA 1793 C C . SER A 247 ? 0.6019 0.5907 0.5057 -0.0436 -0.0296 0.0109 314 SER A C 1794 O O . SER A 247 ? 0.5382 0.5239 0.4371 -0.0470 -0.0313 0.0121 314 SER A O 1795 C CB . SER A 247 ? 0.5639 0.5553 0.4723 -0.0399 -0.0270 0.0092 314 SER A CB 1796 O OG . SER A 247 ? 0.4843 0.4735 0.3872 -0.0437 -0.0267 0.0093 314 SER A OG 1797 N N . SER A 248 ? 0.5907 0.5821 0.4960 -0.0427 -0.0270 0.0093 315 SER A N 1798 C CA . SER A 248 ? 0.6176 0.6087 0.5192 -0.0456 -0.0260 0.0089 315 SER A CA 1799 C C . SER A 248 ? 0.6130 0.6075 0.5173 -0.0438 -0.0221 0.0066 315 SER A C 1800 O O . SER A 248 ? 0.5644 0.5610 0.4716 -0.0415 -0.0201 0.0054 315 SER A O 1801 C CB . SER A 248 ? 0.6227 0.6122 0.5238 -0.0463 -0.0293 0.0108 315 SER A CB 1802 O OG . SER A 248 ? 0.5977 0.5894 0.5046 -0.0425 -0.0296 0.0106 315 SER A OG 1803 N N . TYR A 249 ? 0.5916 0.5864 0.4947 -0.0449 -0.0213 0.0061 316 TYR A N 1804 C CA . TYR A 249 ? 0.5920 0.5895 0.4974 -0.0433 -0.0180 0.0041 316 TYR A CA 1805 C C . TYR A 249 ? 0.6424 0.6404 0.5500 -0.0421 -0.0190 0.0046 316 TYR A C 1806 O O . TYR A 249 ? 0.5881 0.5843 0.4936 -0.0440 -0.0217 0.0061 316 TYR A O 1807 C CB . TYR A 249 ? 0.5816 0.5790 0.4830 -0.0465 -0.0150 0.0023 316 TYR A CB 1808 C CG . TYR A 249 ? 0.5839 0.5819 0.4844 -0.0472 -0.0130 0.0011 316 TYR A CG 1809 C CD1 . TYR A 249 ? 0.5793 0.5751 0.4760 -0.0499 -0.0144 0.0021 316 TYR A CD1 1810 C CD2 . TYR A 249 ? 0.6488 0.6497 0.5525 -0.0450 -0.0098 -0.0008 316 TYR A CD2 1811 C CE1 . TYR A 249 ? 0.6097 0.6063 0.5057 -0.0506 -0.0125 0.0008 316 TYR A CE1 1812 C CE2 . TYR A 249 ? 0.6398 0.6416 0.5432 -0.0454 -0.0080 -0.0020 316 TYR A CE2 1813 C CZ . TYR A 249 ? 0.6471 0.6469 0.5467 -0.0483 -0.0092 -0.0012 316 TYR A CZ 1814 O OH . TYR A 249 ? 0.6263 0.6274 0.5260 -0.0486 -0.0074 -0.0026 316 TYR A OH 1815 N N . VAL A 250 ? 0.5860 0.5865 0.4978 -0.0390 -0.0171 0.0035 317 VAL A N 1816 C CA . VAL A 250 ? 0.5890 0.5903 0.5030 -0.0379 -0.0174 0.0036 317 VAL A CA 1817 C C . VAL A 250 ? 0.6449 0.6448 0.5545 -0.0414 -0.0171 0.0033 317 VAL A C 1818 O O . VAL A 250 ? 0.5919 0.5916 0.4986 -0.0434 -0.0144 0.0018 317 VAL A O 1819 C CB . VAL A 250 ? 0.5749 0.5788 0.4931 -0.0346 -0.0146 0.0020 317 VAL A CB 1820 C CG1 . VAL A 250 ? 0.5733 0.5779 0.4931 -0.0338 -0.0145 0.0019 317 VAL A CG1 1821 C CG2 . VAL A 250 ? 0.5520 0.5573 0.4743 -0.0312 -0.0150 0.0023 317 VAL A CG2 1822 N N . CYS A 251 ? 0.6241 0.6232 0.5336 -0.0422 -0.0197 0.0047 318 CYS A N 1823 C CA . CYS A 251 ? 0.6839 0.6815 0.5890 -0.0458 -0.0202 0.0049 318 CYS A CA 1824 C C . CYS A 251 ? 0.7365 0.7351 0.6414 -0.0461 -0.0169 0.0029 318 CYS A C 1825 O O . CYS A 251 ? 0.7586 0.7560 0.6591 -0.0494 -0.0156 0.0021 318 CYS A O 1826 C CB . CYS A 251 ? 0.7516 0.7483 0.6572 -0.0462 -0.0241 0.0068 318 CYS A CB 1827 S SG . CYS A 251 ? 0.8946 0.8886 0.7978 -0.0478 -0.0284 0.0093 318 CYS A SG 1828 N N . SER A 252 ? 0.6917 0.6923 0.6012 -0.0427 -0.0156 0.0022 319 SER A N 1829 C CA . SER A 252 ? 0.6410 0.6426 0.5511 -0.0425 -0.0126 0.0005 319 SER A CA 1830 C C . SER A 252 ? 0.6457 0.6466 0.5523 -0.0447 -0.0094 -0.0013 319 SER A C 1831 O O . SER A 252 ? 0.6380 0.6394 0.5448 -0.0441 -0.0078 -0.0022 319 SER A O 1832 C CB . SER A 252 ? 0.6297 0.6334 0.5449 -0.0384 -0.0111 -0.0001 319 SER A CB 1833 O OG . SER A 252 ? 0.5788 0.5829 0.4944 -0.0381 -0.0083 -0.0017 319 SER A OG 1834 N N . GLY A 253 ? 0.6314 0.6315 0.5353 -0.0472 -0.0084 -0.0021 320 GLY A N 1835 C CA . GLY A 253 ? 0.6097 0.6093 0.5109 -0.0492 -0.0049 -0.0043 320 GLY A CA 1836 C C . GLY A 253 ? 0.6300 0.6313 0.5351 -0.0460 -0.0017 -0.0061 320 GLY A C 1837 O O . GLY A 253 ? 0.5811 0.5825 0.4853 -0.0468 0.0013 -0.0081 320 GLY A O 1838 N N . LEU A 254 ? 0.5656 0.5681 0.4751 -0.0426 -0.0022 -0.0055 321 LEU A N 1839 C CA . LEU A 254 ? 0.6303 0.6343 0.5437 -0.0392 0.0002 -0.0068 321 LEU A CA 1840 C C . LEU A 254 ? 0.6073 0.6125 0.5230 -0.0369 -0.0003 -0.0062 321 LEU A C 1841 O O . LEU A 254 ? 0.5525 0.5583 0.4704 -0.0352 -0.0027 -0.0047 321 LEU A O 1842 C CB . LEU A 254 ? 0.6617 0.6663 0.5782 -0.0369 0.0000 -0.0063 321 LEU A CB 1843 C CG . LEU A 254 ? 0.6586 0.6619 0.5728 -0.0393 0.0003 -0.0068 321 LEU A CG 1844 C CD1 . LEU A 254 ? 0.6446 0.6486 0.5618 -0.0371 0.0000 -0.0064 321 LEU A CD1 1845 C CD2 . LEU A 254 ? 0.6874 0.6899 0.5997 -0.0408 0.0037 -0.0090 321 LEU A CD2 1846 N N . VAL A 255 ? 0.5299 0.5356 0.4452 -0.0371 0.0017 -0.0076 322 VAL A N 1847 C CA . VAL A 255 ? 0.5171 0.5238 0.4338 -0.0357 0.0011 -0.0072 322 VAL A CA 1848 C C . VAL A 255 ? 0.5444 0.5530 0.4658 -0.0317 0.0023 -0.0077 322 VAL A C 1849 O O . VAL A 255 ? 0.5475 0.5564 0.4706 -0.0303 0.0041 -0.0087 322 VAL A O 1850 C CB . VAL A 255 ? 0.5411 0.5475 0.4548 -0.0384 0.0023 -0.0083 322 VAL A CB 1851 C CG1 . VAL A 255 ? 0.5729 0.5772 0.4815 -0.0426 0.0010 -0.0077 322 VAL A CG1 1852 C CG2 . VAL A 255 ? 0.5334 0.5406 0.4480 -0.0380 0.0060 -0.0108 322 VAL A CG2 1853 N N . GLY A 256 ? 0.5609 0.5705 0.4841 -0.0300 0.0011 -0.0069 323 GLY A N 1854 C CA . GLY A 256 ? 0.5801 0.5914 0.5075 -0.0263 0.0014 -0.0068 323 GLY A CA 1855 C C . GLY A 256 ? 0.6266 0.6394 0.5557 -0.0248 0.0032 -0.0080 323 GLY A C 1856 O O . GLY A 256 ? 0.6261 0.6403 0.5585 -0.0218 0.0036 -0.0080 323 GLY A O 1857 N N . ASP A 257 ? 0.5958 0.6085 0.5227 -0.0270 0.0043 -0.0091 324 ASP A N 1858 C CA . ASP A 257 ? 0.5524 0.5669 0.4812 -0.0258 0.0060 -0.0103 324 ASP A CA 1859 C C . ASP A 257 ? 0.6011 0.6163 0.5313 -0.0251 0.0089 -0.0123 324 ASP A C 1860 O O . ASP A 257 ? 0.6468 0.6607 0.5760 -0.0259 0.0098 -0.0128 324 ASP A O 1861 C CB . ASP A 257 ? 0.6506 0.6651 0.5769 -0.0283 0.0059 -0.0106 324 ASP A CB 1862 C CG . ASP A 257 ? 0.6959 0.7125 0.6247 -0.0264 0.0058 -0.0107 324 ASP A CG 1863 O OD1 . ASP A 257 ? 0.6067 0.6248 0.5391 -0.0232 0.0063 -0.0109 324 ASP A OD1 1864 O OD2 . ASP A 257 ? 0.6391 0.6554 0.5659 -0.0283 0.0051 -0.0105 324 ASP A OD2 1865 N N . THR A 258 ? 0.6236 0.6407 0.5564 -0.0233 0.0103 -0.0134 325 THR A N 1866 C CA . THR A 258 ? 0.6147 0.6327 0.5495 -0.0224 0.0129 -0.0154 325 THR A CA 1867 C C . THR A 258 ? 0.6338 0.6537 0.5692 -0.0231 0.0142 -0.0169 325 THR A C 1868 O O . THR A 258 ? 0.6122 0.6336 0.5490 -0.0219 0.0132 -0.0163 325 THR A O 1869 C CB . THR A 258 ? 0.6606 0.6793 0.5992 -0.0186 0.0129 -0.0150 325 THR A CB 1870 O OG1 . THR A 258 ? 0.6371 0.6544 0.5753 -0.0179 0.0116 -0.0135 325 THR A OG1 1871 C CG2 . THR A 258 ? 0.6451 0.6644 0.5860 -0.0175 0.0155 -0.0169 325 THR A CG2 1872 N N . PRO A 259 ? 0.5741 0.5940 0.5085 -0.0252 0.0165 -0.0190 326 PRO A N 1873 C CA . PRO A 259 ? 0.5789 0.5971 0.5113 -0.0270 0.0180 -0.0201 326 PRO A CA 1874 C C . PRO A 259 ? 0.5720 0.5879 0.4996 -0.0305 0.0167 -0.0190 326 PRO A C 1875 O O . PRO A 259 ? 0.5656 0.5811 0.4912 -0.0316 0.0146 -0.0175 326 PRO A O 1876 C CB . PRO A 259 ? 0.6423 0.6619 0.5756 -0.0283 0.0210 -0.0229 326 PRO A CB 1877 C CG . PRO A 259 ? 0.6249 0.6464 0.5583 -0.0289 0.0205 -0.0230 326 PRO A CG 1878 C CD . PRO A 259 ? 0.5711 0.5932 0.5063 -0.0260 0.0180 -0.0207 326 PRO A CD 1879 N N . ARG A 260 ? 0.6045 0.6187 0.5302 -0.0321 0.0179 -0.0198 327 ARG A N 1880 C CA . ARG A 260 ? 0.5425 0.5545 0.4635 -0.0356 0.0167 -0.0190 327 ARG A CA 1881 C C . ARG A 260 ? 0.5845 0.5952 0.5038 -0.0376 0.0191 -0.0209 327 ARG A C 1882 O O . ARG A 260 ? 0.5614 0.5726 0.4836 -0.0358 0.0213 -0.0226 327 ARG A O 1883 C CB . ARG A 260 ? 0.5169 0.5279 0.4381 -0.0342 0.0138 -0.0164 327 ARG A CB 1884 C CG . ARG A 260 ? 0.5229 0.5337 0.4469 -0.0314 0.0143 -0.0164 327 ARG A CG 1885 C CD . ARG A 260 ? 0.5090 0.5189 0.4328 -0.0307 0.0117 -0.0141 327 ARG A CD 1886 N NE . ARG A 260 ? 0.5388 0.5484 0.4651 -0.0283 0.0124 -0.0141 327 ARG A NE 1887 C CZ . ARG A 260 ? 0.5680 0.5788 0.4980 -0.0247 0.0124 -0.0138 327 ARG A CZ 1888 N NH1 . ARG A 260 ? 0.5682 0.5782 0.4997 -0.0231 0.0132 -0.0139 327 ARG A NH1 1889 N NH2 . ARG A 260 ? 0.5211 0.5336 0.4532 -0.0229 0.0117 -0.0133 327 ARG A NH2 1890 N N . ASN A 261 ? 0.6000 0.6089 0.5145 -0.0415 0.0186 -0.0207 328 ASN A N 1891 C CA . ASN A 261 ? 0.5985 0.6059 0.5111 -0.0436 0.0206 -0.0223 328 ASN A CA 1892 C C . ASN A 261 ? 0.6261 0.6324 0.5401 -0.0416 0.0197 -0.0212 328 ASN A C 1893 O O . ASN A 261 ? 0.6194 0.6260 0.5348 -0.0395 0.0171 -0.0189 328 ASN A O 1894 C CB . ASN A 261 ? 0.6414 0.6469 0.5480 -0.0485 0.0200 -0.0222 328 ASN A CB 1895 C CG . ASN A 261 ? 0.6375 0.6437 0.5417 -0.0515 0.0216 -0.0238 328 ASN A CG 1896 O OD1 . ASN A 261 ? 0.6360 0.6441 0.5432 -0.0501 0.0238 -0.0257 328 ASN A OD1 1897 N ND2 . ASN A 261 ? 0.7026 0.7072 0.6015 -0.0556 0.0204 -0.0231 328 ASN A ND2 1898 N N . ASP A 262 ? 0.6025 0.6077 0.5161 -0.0423 0.0218 -0.0228 329 ASP A N 1899 C CA . ASP A 262 ? 0.6753 0.6790 0.5892 -0.0414 0.0211 -0.0219 329 ASP A CA 1900 C C . ASP A 262 ? 0.6633 0.6658 0.5732 -0.0441 0.0182 -0.0199 329 ASP A C 1901 O O . ASP A 262 ? 0.6125 0.6146 0.5188 -0.0471 0.0173 -0.0195 329 ASP A O 1902 C CB . ASP A 262 ? 0.7461 0.7485 0.6598 -0.0423 0.0241 -0.0243 329 ASP A CB 1903 C CG . ASP A 262 ? 0.8981 0.8992 0.8067 -0.0472 0.0251 -0.0255 329 ASP A CG 1904 O OD1 . ASP A 262 ? 0.9970 0.9964 0.9024 -0.0493 0.0239 -0.0246 329 ASP A OD1 1905 O OD2 . ASP A 262 ? 1.1174 1.1190 1.0247 -0.0491 0.0269 -0.0274 329 ASP A OD2 1906 N N . ASP A 263 ? 0.6580 0.6597 0.5688 -0.0428 0.0170 -0.0186 330 ASP A N 1907 C CA . ASP A 263 ? 0.6832 0.6842 0.5918 -0.0443 0.0139 -0.0164 330 ASP A CA 1908 C C . ASP A 263 ? 0.7356 0.7349 0.6389 -0.0490 0.0137 -0.0168 330 ASP A C 1909 O O . ASP A 263 ? 0.7629 0.7618 0.6639 -0.0507 0.0107 -0.0149 330 ASP A O 1910 C CB . ASP A 263 ? 0.7521 0.7529 0.6632 -0.0420 0.0132 -0.0155 330 ASP A CB 1911 C CG . ASP A 263 ? 0.7848 0.7872 0.7005 -0.0376 0.0122 -0.0143 330 ASP A CG 1912 O OD1 . ASP A 263 ? 0.8398 0.8435 0.7567 -0.0365 0.0114 -0.0137 330 ASP A OD1 1913 O OD2 . ASP A 263 ? 0.7152 0.7175 0.6332 -0.0355 0.0122 -0.0138 330 ASP A OD2 1914 N N . SER A 264 ? 0.7443 0.7427 0.6457 -0.0512 0.0166 -0.0191 331 SER A N 1915 C CA . SER A 264 ? 0.7874 0.7841 0.6832 -0.0561 0.0163 -0.0194 331 SER A CA 1916 C C . SER A 264 ? 0.7493 0.7460 0.6417 -0.0590 0.0164 -0.0198 331 SER A C 1917 O O . SER A 264 ? 0.7037 0.6991 0.5913 -0.0628 0.0148 -0.0190 331 SER A O 1918 C CB . SER A 264 ? 0.7860 0.7813 0.6803 -0.0579 0.0191 -0.0217 331 SER A CB 1919 O OG . SER A 264 ? 0.7720 0.7679 0.6694 -0.0558 0.0225 -0.0240 331 SER A OG 1920 N N . SER A 265 ? 0.7657 0.7639 0.6605 -0.0572 0.0178 -0.0208 332 SER A N 1921 C CA . SER A 265 ? 0.7985 0.7968 0.6900 -0.0602 0.0180 -0.0212 332 SER A CA 1922 C C . SER A 265 ? 0.7290 0.7283 0.6218 -0.0585 0.0154 -0.0192 332 SER A C 1923 O O . SER A 265 ? 0.8081 0.8076 0.6986 -0.0606 0.0156 -0.0195 332 SER A O 1924 C CB . SER A 265 ? 0.7647 0.7638 0.6570 -0.0607 0.0221 -0.0246 332 SER A CB 1925 O OG . SER A 265 ? 0.8829 0.8838 0.7812 -0.0560 0.0233 -0.0251 332 SER A OG 1926 N N . SER A 266 ? 0.6881 0.6882 0.5844 -0.0550 0.0130 -0.0171 333 SER A N 1927 C CA . SER A 266 ? 0.7142 0.7152 0.6120 -0.0533 0.0106 -0.0152 333 SER A CA 1928 C C . SER A 266 ? 0.7336 0.7329 0.6275 -0.0558 0.0069 -0.0127 333 SER A C 1929 O O . SER A 266 ? 0.7412 0.7393 0.6331 -0.0574 0.0057 -0.0120 333 SER A O 1930 C CB . SER A 266 ? 0.6756 0.6781 0.5790 -0.0482 0.0099 -0.0143 333 SER A CB 1931 O OG . SER A 266 ? 0.6705 0.6724 0.5748 -0.0474 0.0084 -0.0130 333 SER A OG 1932 N N . SER A 267 ? 0.7101 0.7095 0.6035 -0.0559 0.0050 -0.0113 334 SER A N 1933 C CA . SER A 267 ? 0.6602 0.6579 0.5503 -0.0580 0.0012 -0.0088 334 SER A CA 1934 C C . SER A 267 ? 0.6147 0.6127 0.5063 -0.0564 -0.0011 -0.0070 334 SER A C 1935 O O . SER A 267 ? 0.6448 0.6443 0.5389 -0.0544 0.0002 -0.0078 334 SER A O 1936 C CB . SER A 267 ? 0.7159 0.7115 0.5993 -0.0635 0.0016 -0.0094 334 SER A CB 1937 O OG . SER A 267 ? 0.6515 0.6475 0.5335 -0.0648 0.0032 -0.0105 334 SER A OG 1938 N N . SER A 268 ? 0.6243 0.6209 0.5143 -0.0573 -0.0049 -0.0045 335 SER A N 1939 C CA . SER A 268 ? 0.6388 0.6348 0.5291 -0.0565 -0.0077 -0.0026 335 SER A CA 1940 C C . SER A 268 ? 0.6338 0.6272 0.5196 -0.0598 -0.0114 -0.0004 335 SER A C 1941 O O . SER A 268 ? 0.6174 0.6102 0.5028 -0.0604 -0.0130 0.0004 335 SER A O 1942 C CB . SER A 268 ? 0.6456 0.6434 0.5420 -0.0516 -0.0090 -0.0016 335 SER A CB 1943 O OG . SER A 268 ? 0.5328 0.5301 0.4299 -0.0507 -0.0116 0.0000 335 SER A OG 1944 N N . ASN A 269 ? 0.7065 0.6983 0.5893 -0.0618 -0.0130 0.0006 336 ASN A N 1945 C CA . ASN A 269 ? 0.7469 0.7358 0.6256 -0.0646 -0.0171 0.0032 336 ASN A CA 1946 C C . ASN A 269 ? 0.7456 0.7340 0.6272 -0.0621 -0.0208 0.0056 336 ASN A C 1947 O O . ASN A 269 ? 0.7041 0.6899 0.5823 -0.0643 -0.0242 0.0077 336 ASN A O 1948 C CB . ASN A 269 ? 0.7147 0.7012 0.5864 -0.0697 -0.0166 0.0029 336 ASN A CB 1949 C CG . ASN A 269 ? 0.7716 0.7580 0.6433 -0.0694 -0.0162 0.0029 336 ASN A CG 1950 O OD1 . ASN A 269 ? 0.7815 0.7697 0.6584 -0.0654 -0.0161 0.0029 336 ASN A OD1 1951 N ND2 . ASN A 269 ? 0.8210 0.8053 0.6868 -0.0737 -0.0158 0.0027 336 ASN A ND2 1952 N N . CYS A 270 ? 0.7187 0.7094 0.6063 -0.0575 -0.0202 0.0052 337 CYS A N 1953 C CA . CYS A 270 ? 0.7536 0.7442 0.6449 -0.0546 -0.0232 0.0071 337 CYS A CA 1954 C C . CYS A 270 ? 0.7482 0.7376 0.6380 -0.0552 -0.0238 0.0076 337 CYS A C 1955 O O . CYS A 270 ? 0.7801 0.7696 0.6733 -0.0526 -0.0255 0.0087 337 CYS A O 1956 C CB . CYS A 270 ? 0.7918 0.7809 0.6833 -0.0548 -0.0276 0.0095 337 CYS A CB 1957 S SG . CYS A 270 ? 1.1557 1.1465 1.0493 -0.0542 -0.0273 0.0090 337 CYS A SG 1958 N N . ARG A 271 ? 0.7216 0.7096 0.6063 -0.0589 -0.0223 0.0069 338 ARG A N 1959 C CA . ARG A 271 ? 0.7583 0.7442 0.6401 -0.0605 -0.0237 0.0079 338 ARG A CA 1960 C C . ARG A 271 ? 0.7201 0.7074 0.6015 -0.0609 -0.0200 0.0057 338 ARG A C 1961 O O . ARG A 271 ? 0.7187 0.7060 0.6014 -0.0597 -0.0203 0.0060 338 ARG A O 1962 C CB . ARG A 271 ? 0.8042 0.7862 0.6791 -0.0654 -0.0263 0.0096 338 ARG A CB 1963 C CG . ARG A 271 ? 0.9619 0.9410 0.8344 -0.0666 -0.0292 0.0116 338 ARG A CG 1964 C CD . ARG A 271 ? 1.1152 1.0903 0.9800 -0.0720 -0.0314 0.0132 338 ARG A CD 1965 N NE . ARG A 271 ? 1.3033 1.2785 1.1631 -0.0759 -0.0277 0.0111 338 ARG A NE 1966 C CZ . ARG A 271 ? 1.1797 1.1531 1.0333 -0.0805 -0.0275 0.0109 338 ARG A CZ 1967 N NH1 . ARG A 271 ? 1.1135 1.0848 0.9647 -0.0821 -0.0309 0.0130 338 ARG A NH1 1968 N NH2 . ARG A 271 ? 1.1521 1.1261 1.0021 -0.0836 -0.0237 0.0086 338 ARG A NH2 1969 N N . ASP A 272 ? 0.6795 0.6684 0.5599 -0.0622 -0.0164 0.0034 339 ASP A N 1970 C CA . ASP A 272 ? 0.7631 0.7535 0.6431 -0.0629 -0.0128 0.0011 339 ASP A CA 1971 C C . ASP A 272 ? 0.6905 0.6846 0.5754 -0.0599 -0.0092 -0.0013 339 ASP A C 1972 O O . ASP A 272 ? 0.6985 0.6933 0.5852 -0.0585 -0.0088 -0.0016 339 ASP A O 1973 C CB . ASP A 272 ? 0.8211 0.8096 0.6941 -0.0685 -0.0116 0.0003 339 ASP A CB 1974 C CG . ASP A 272 ? 0.8224 0.8068 0.6897 -0.0721 -0.0155 0.0030 339 ASP A CG 1975 O OD1 . ASP A 272 ? 0.8786 0.8616 0.7458 -0.0717 -0.0176 0.0045 339 ASP A OD1 1976 O OD2 . ASP A 272 ? 0.8181 0.8005 0.6808 -0.0754 -0.0164 0.0035 339 ASP A OD2 1977 N N . PRO A 273 ? 0.6447 0.6408 0.5313 -0.0590 -0.0065 -0.0031 340 PRO A N 1978 C CA . PRO A 273 ? 0.6328 0.6320 0.5233 -0.0567 -0.0030 -0.0055 340 PRO A CA 1979 C C . PRO A 273 ? 0.6481 0.6468 0.5351 -0.0599 -0.0009 -0.0071 340 PRO A C 1980 O O . PRO A 273 ? 0.6628 0.6597 0.5444 -0.0643 -0.0007 -0.0074 340 PRO A O 1981 C CB . PRO A 273 ? 0.6324 0.6336 0.5244 -0.0562 -0.0008 -0.0072 340 PRO A CB 1982 C CG . PRO A 273 ? 0.6476 0.6464 0.5348 -0.0598 -0.0024 -0.0060 340 PRO A CG 1983 C CD . PRO A 273 ? 0.6386 0.6342 0.5233 -0.0606 -0.0065 -0.0031 340 PRO A CD 1984 N N . ASN A 274 ? 0.6532 0.6534 0.5434 -0.0578 0.0008 -0.0084 341 ASN A N 1985 C CA . ASN A 274 ? 0.6256 0.6252 0.5131 -0.0604 0.0028 -0.0099 341 ASN A CA 1986 C C . ASN A 274 ? 0.6576 0.6586 0.5443 -0.0622 0.0069 -0.0130 341 ASN A C 1987 O O . ASN A 274 ? 0.6623 0.6627 0.5463 -0.0648 0.0087 -0.0145 341 ASN A O 1988 C CB . ASN A 274 ? 0.5840 0.5844 0.4750 -0.0575 0.0030 -0.0099 341 ASN A CB 1989 C CG . ASN A 274 ? 0.5912 0.5945 0.4884 -0.0530 0.0052 -0.0113 341 ASN A CG 1990 O OD1 . ASN A 274 ? 0.5915 0.5966 0.4906 -0.0519 0.0069 -0.0126 341 ASN A OD1 1991 N ND2 . ASN A 274 ? 0.5832 0.5869 0.4833 -0.0503 0.0049 -0.0110 341 ASN A ND2 1992 N N . ASN A 275 ? 0.6609 0.6641 0.5503 -0.0608 0.0084 -0.0142 342 ASN A N 1993 C CA . ASN A 275 ? 0.7581 0.7633 0.6480 -0.0620 0.0125 -0.0175 342 ASN A CA 1994 C C . ASN A 275 ? 0.7431 0.7498 0.6362 -0.0603 0.0155 -0.0198 342 ASN A C 1995 O O . ASN A 275 ? 0.8163 0.8238 0.7084 -0.0625 0.0187 -0.0225 342 ASN A O 1996 C CB . ASN A 275 ? 0.8101 0.8136 0.6936 -0.0677 0.0135 -0.0184 342 ASN A CB 1997 C CG . ASN A 275 ? 0.9914 0.9940 0.8724 -0.0693 0.0117 -0.0170 342 ASN A CG 1998 O OD1 . ASN A 275 ? 1.1386 1.1434 1.0228 -0.0675 0.0126 -0.0177 342 ASN A OD1 1999 N ND2 . ASN A 275 ? 1.0734 1.0726 0.9489 -0.0725 0.0087 -0.0147 342 ASN A ND2 2000 N N . GLU A 276 ? 0.7003 0.7075 0.5973 -0.0564 0.0145 -0.0188 343 GLU A N 2001 C CA . GLU A 276 ? 0.6473 0.6556 0.5477 -0.0543 0.0170 -0.0206 343 GLU A CA 2002 C C . GLU A 276 ? 0.6036 0.6146 0.5105 -0.0494 0.0175 -0.0209 343 GLU A C 2003 O O . GLU A 276 ? 0.5947 0.6057 0.5040 -0.0463 0.0152 -0.0189 343 GLU A O 2004 C CB . GLU A 276 ? 0.6619 0.6683 0.5613 -0.0542 0.0154 -0.0192 343 GLU A CB 2005 C CG . GLU A 276 ? 0.7424 0.7461 0.6354 -0.0591 0.0145 -0.0187 343 GLU A CG 2006 C CD . GLU A 276 ? 0.8011 0.8029 0.6930 -0.0588 0.0117 -0.0165 343 GLU A CD 2007 O OE1 . GLU A 276 ? 0.7958 0.7984 0.6919 -0.0549 0.0108 -0.0155 343 GLU A OE1 2008 O OE2 . GLU A 276 ? 0.7939 0.7935 0.6805 -0.0627 0.0103 -0.0156 343 GLU A OE2 2009 N N . ARG A 277 ? 0.6292 0.6424 0.5386 -0.0489 0.0204 -0.0234 344 ARG A N 2010 C CA . ARG A 277 ? 0.6309 0.6468 0.5464 -0.0444 0.0211 -0.0240 344 ARG A CA 2011 C C . ARG A 277 ? 0.6639 0.6804 0.5811 -0.0419 0.0183 -0.0216 344 ARG A C 2012 O O . ARG A 277 ? 0.7102 0.7273 0.6309 -0.0382 0.0171 -0.0204 344 ARG A O 2013 C CB . ARG A 277 ? 0.6270 0.6426 0.5454 -0.0417 0.0220 -0.0244 344 ARG A CB 2014 C CG . ARG A 277 ? 0.6288 0.6437 0.5459 -0.0440 0.0250 -0.0270 344 ARG A CG 2015 C CD . ARG A 277 ? 0.6576 0.6722 0.5779 -0.0411 0.0260 -0.0276 344 ARG A CD 2016 N NE . ARG A 277 ? 0.6676 0.6846 0.5935 -0.0376 0.0277 -0.0291 344 ARG A NE 2017 C CZ . ARG A 277 ? 0.7207 0.7377 0.6505 -0.0340 0.0279 -0.0290 344 ARG A CZ 2018 N NH1 . ARG A 277 ? 0.7486 0.7635 0.6774 -0.0333 0.0267 -0.0274 344 ARG A NH1 2019 N NH2 . ARG A 277 ? 0.7429 0.7622 0.6777 -0.0310 0.0293 -0.0303 344 ARG A NH2 2020 N N . GLY A 278 ? 0.7191 0.7353 0.6334 -0.0442 0.0172 -0.0210 345 GLY A N 2021 C CA . GLY A 278 ? 0.7145 0.7305 0.6293 -0.0427 0.0142 -0.0186 345 GLY A CA 2022 C C . GLY A 278 ? 0.7753 0.7941 0.6953 -0.0389 0.0145 -0.0189 345 GLY A C 2023 O O . GLY A 278 ? 0.8167 0.8355 0.7381 -0.0367 0.0121 -0.0169 345 GLY A O 2024 N N . ASN A 279 ? 0.7705 0.7919 0.6936 -0.0380 0.0172 -0.0213 346 ASN A N 2025 C CA . ASN A 279 ? 0.7517 0.7759 0.6793 -0.0348 0.0172 -0.0215 346 ASN A CA 2026 C C . ASN A 279 ? 0.6636 0.6895 0.5962 -0.0312 0.0186 -0.0226 346 ASN A C 2027 O O . ASN A 279 ? 0.6661 0.6916 0.5989 -0.0317 0.0205 -0.0241 346 ASN A O 2028 C CB . ASN A 279 ? 0.8720 0.8981 0.7992 -0.0369 0.0185 -0.0231 346 ASN A CB 2029 C CG . ASN A 279 ? 0.9043 0.9336 0.8356 -0.0358 0.0214 -0.0259 346 ASN A CG 2030 O OD1 . ASN A 279 ? 0.9063 0.9356 0.8367 -0.0378 0.0239 -0.0280 346 ASN A OD1 2031 N ND2 . ASN A 279 ? 0.9115 0.9436 0.8473 -0.0326 0.0212 -0.0260 346 ASN A ND2 2032 N N . PRO A 280 ? 0.6821 0.7096 0.6185 -0.0276 0.0176 -0.0217 347 PRO A N 2033 C CA . PRO A 280 ? 0.7054 0.7334 0.6420 -0.0266 0.0153 -0.0199 347 PRO A CA 2034 C C . PRO A 280 ? 0.6509 0.6766 0.5863 -0.0255 0.0125 -0.0173 347 PRO A C 2035 O O . PRO A 280 ? 0.7530 0.7788 0.6884 -0.0249 0.0106 -0.0158 347 PRO A O 2036 C CB . PRO A 280 ? 0.6527 0.6836 0.5944 -0.0230 0.0159 -0.0207 347 PRO A CB 2037 C CG . PRO A 280 ? 0.6559 0.6864 0.5998 -0.0210 0.0170 -0.0212 347 PRO A CG 2038 C CD . PRO A 280 ? 0.6983 0.7272 0.6392 -0.0241 0.0187 -0.0226 347 PRO A CD 2039 N N . GLY A 281 ? 0.5345 0.5586 0.4696 -0.0249 0.0125 -0.0168 348 GLY A N 2040 C CA . GLY A 281 ? 0.4949 0.5172 0.4294 -0.0238 0.0100 -0.0145 348 GLY A CA 2041 C C . GLY A 281 ? 0.5380 0.5617 0.4765 -0.0199 0.0095 -0.0138 348 GLY A C 2042 O O . GLY A 281 ? 0.5385 0.5645 0.4801 -0.0180 0.0106 -0.0149 348 GLY A O 2043 N N . VAL A 282 ? 0.5014 0.5239 0.4398 -0.0188 0.0075 -0.0120 349 VAL A N 2044 C CA . VAL A 282 ? 0.5012 0.5246 0.4426 -0.0155 0.0067 -0.0111 349 VAL A CA 2045 C C . VAL A 282 ? 0.4956 0.5178 0.4362 -0.0153 0.0042 -0.0092 349 VAL A C 2046 O O . VAL A 282 ? 0.4563 0.4766 0.3944 -0.0173 0.0032 -0.0085 349 VAL A O 2047 C CB . VAL A 282 ? 0.5830 0.6062 0.5262 -0.0137 0.0078 -0.0115 349 VAL A CB 2048 C CG1 . VAL A 282 ? 0.5618 0.5827 0.5030 -0.0147 0.0071 -0.0106 349 VAL A CG1 2049 C CG2 . VAL A 282 ? 0.5957 0.6200 0.5419 -0.0104 0.0073 -0.0109 349 VAL A CG2 2050 N N . LYS A 283 ? 0.4936 0.5170 0.4364 -0.0131 0.0032 -0.0085 350 LYS A N 2051 C CA . LYS A 283 ? 0.5104 0.5327 0.4531 -0.0127 0.0010 -0.0069 350 LYS A CA 2052 C C . LYS A 283 ? 0.4673 0.4884 0.4101 -0.0121 0.0007 -0.0063 350 LYS A C 2053 O O . LYS A 283 ? 0.5165 0.5381 0.4608 -0.0105 0.0019 -0.0067 350 LYS A O 2054 C CB . LYS A 283 ? 0.5454 0.5692 0.4904 -0.0104 0.0003 -0.0065 350 LYS A CB 2055 C CG . LYS A 283 ? 0.5266 0.5495 0.4718 -0.0100 -0.0016 -0.0052 350 LYS A CG 2056 C CD . LYS A 283 ? 0.5725 0.5970 0.5201 -0.0077 -0.0020 -0.0051 350 LYS A CD 2057 C CE . LYS A 283 ? 0.5592 0.5829 0.5076 -0.0070 -0.0037 -0.0040 350 LYS A CE 2058 N NZ . LYS A 283 ? 0.5374 0.5597 0.4845 -0.0086 -0.0054 -0.0033 350 LYS A NZ 2059 N N . GLY A 284 ? 0.4446 0.4642 0.3859 -0.0135 -0.0008 -0.0053 351 GLY A N 2060 C CA . GLY A 284 ? 0.4272 0.4458 0.3688 -0.0131 -0.0014 -0.0046 351 GLY A CA 2061 C C . GLY A 284 ? 0.4539 0.4716 0.3953 -0.0137 -0.0039 -0.0033 351 GLY A C 2062 O O . GLY A 284 ? 0.5070 0.5247 0.4484 -0.0138 -0.0052 -0.0028 351 GLY A O 2063 N N . TRP A 285 ? 0.4183 0.4351 0.3596 -0.0140 -0.0045 -0.0028 352 TRP A N 2064 C CA . TRP A 285 ? 0.4384 0.4547 0.3804 -0.0141 -0.0069 -0.0016 352 TRP A CA 2065 C C . TRP A 285 ? 0.4393 0.4542 0.3798 -0.0159 -0.0077 -0.0011 352 TRP A C 2066 O O . TRP A 285 ? 0.4497 0.4643 0.3890 -0.0167 -0.0062 -0.0018 352 TRP A O 2067 C CB . TRP A 285 ? 0.4316 0.4492 0.3770 -0.0114 -0.0071 -0.0014 352 TRP A CB 2068 C CG . TRP A 285 ? 0.4379 0.4559 0.3843 -0.0105 -0.0056 -0.0019 352 TRP A CG 2069 C CD1 . TRP A 285 ? 0.4557 0.4744 0.4025 -0.0091 -0.0036 -0.0026 352 TRP A CD1 2070 C CD2 . TRP A 285 ? 0.4636 0.4812 0.4103 -0.0108 -0.0061 -0.0015 352 TRP A CD2 2071 N NE1 . TRP A 285 ? 0.4342 0.4528 0.3816 -0.0087 -0.0027 -0.0028 352 TRP A NE1 2072 C CE2 . TRP A 285 ? 0.4620 0.4800 0.4093 -0.0097 -0.0041 -0.0022 352 TRP A CE2 2073 C CE3 . TRP A 285 ? 0.5099 0.5268 0.4566 -0.0119 -0.0081 -0.0008 352 TRP A CE3 2074 C CZ2 . TRP A 285 ? 0.4666 0.4843 0.4142 -0.0099 -0.0039 -0.0022 352 TRP A CZ2 2075 C CZ3 . TRP A 285 ? 0.5009 0.5179 0.4483 -0.0120 -0.0079 -0.0008 352 TRP A CZ3 2076 C CH2 . TRP A 285 ? 0.5187 0.5360 0.4664 -0.0112 -0.0057 -0.0015 352 TRP A CH2 2077 N N . ALA A 286 ? 0.4539 0.4682 0.3948 -0.0163 -0.0102 0.0000 353 ALA A N 2078 C CA . ALA A 286 ? 0.4905 0.5039 0.4309 -0.0176 -0.0116 0.0006 353 ALA A CA 2079 C C . ALA A 286 ? 0.4810 0.4944 0.4235 -0.0170 -0.0144 0.0017 353 ALA A C 2080 O O . ALA A 286 ? 0.5275 0.5408 0.4707 -0.0163 -0.0154 0.0020 353 ALA A O 2081 C CB . ALA A 286 ? 0.4956 0.5073 0.4319 -0.0208 -0.0118 0.0007 353 ALA A CB 2082 N N . PHE A 287 ? 0.4694 0.4828 0.4130 -0.0173 -0.0157 0.0022 354 PHE A N 2083 C CA . PHE A 287 ? 0.5165 0.5297 0.4622 -0.0169 -0.0186 0.0032 354 PHE A CA 2084 C C . PHE A 287 ? 0.4841 0.4968 0.4294 -0.0185 -0.0204 0.0040 354 PHE A C 2085 O O . PHE A 287 ? 0.5133 0.5261 0.4574 -0.0195 -0.0192 0.0035 354 PHE A O 2086 C CB . PHE A 287 ? 0.5093 0.5244 0.4596 -0.0140 -0.0184 0.0028 354 PHE A CB 2087 C CG . PHE A 287 ? 0.4846 0.5013 0.4372 -0.0129 -0.0171 0.0021 354 PHE A CG 2088 C CD1 . PHE A 287 ? 0.5071 0.5247 0.4596 -0.0119 -0.0144 0.0012 354 PHE A CD1 2089 C CD2 . PHE A 287 ? 0.5559 0.5733 0.5110 -0.0128 -0.0188 0.0025 354 PHE A CD2 2090 C CE1 . PHE A 287 ? 0.5275 0.5462 0.4817 -0.0110 -0.0131 0.0006 354 PHE A CE1 2091 C CE2 . PHE A 287 ? 0.5415 0.5604 0.4985 -0.0120 -0.0175 0.0018 354 PHE A CE2 2092 C CZ . PHE A 287 ? 0.5278 0.5472 0.4841 -0.0112 -0.0145 0.0008 354 PHE A CZ 2093 N N . ASP A 288 ? 0.5524 0.5642 0.4985 -0.0189 -0.0235 0.0052 355 ASP A N 2094 C CA . ASP A 288 ? 0.5704 0.5814 0.5158 -0.0207 -0.0259 0.0062 355 ASP A CA 2095 C C . ASP A 288 ? 0.6108 0.6238 0.5609 -0.0190 -0.0268 0.0060 355 ASP A C 2096 O O . ASP A 288 ? 0.5634 0.5778 0.5175 -0.0166 -0.0268 0.0056 355 ASP A O 2097 C CB . ASP A 288 ? 0.6131 0.6220 0.5569 -0.0221 -0.0292 0.0077 355 ASP A CB 2098 C CG . ASP A 288 ? 0.6921 0.7014 0.6400 -0.0197 -0.0309 0.0081 355 ASP A CG 2099 O OD1 . ASP A 288 ? 0.6671 0.6766 0.6157 -0.0183 -0.0295 0.0075 355 ASP A OD1 2100 O OD2 . ASP A 288 ? 0.6957 0.7050 0.6463 -0.0193 -0.0337 0.0090 355 ASP A OD2 2101 N N . ASN A 289 ? 0.6256 0.6388 0.5752 -0.0204 -0.0274 0.0062 356 ASN A N 2102 C CA . ASN A 289 ? 0.5889 0.6039 0.5428 -0.0195 -0.0291 0.0063 356 ASN A CA 2103 C C . ASN A 289 ? 0.5706 0.5845 0.5226 -0.0220 -0.0320 0.0075 356 ASN A C 2104 O O . ASN A 289 ? 0.5321 0.5458 0.4816 -0.0239 -0.0311 0.0073 356 ASN A O 2105 C CB . ASN A 289 ? 0.6098 0.6269 0.5656 -0.0185 -0.0264 0.0049 356 ASN A CB 2106 C CG . ASN A 289 ? 0.6415 0.6608 0.6023 -0.0173 -0.0278 0.0047 356 ASN A CG 2107 O OD1 . ASN A 289 ? 0.7032 0.7235 0.6645 -0.0181 -0.0275 0.0044 356 ASN A OD1 2108 N ND2 . ASN A 289 ? 0.6831 0.7032 0.6479 -0.0153 -0.0293 0.0049 356 ASN A ND2 2109 N N . GLY A 290 ? 0.5425 0.5553 0.4955 -0.0221 -0.0354 0.0089 357 GLY A N 2110 C CA . GLY A 290 ? 0.6297 0.6410 0.5804 -0.0247 -0.0388 0.0105 357 GLY A CA 2111 C C . GLY A 290 ? 0.6279 0.6365 0.5716 -0.0279 -0.0380 0.0108 357 GLY A C 2112 O O . GLY A 290 ? 0.7301 0.7370 0.6711 -0.0282 -0.0374 0.0110 357 GLY A O 2113 N N . ASN A 291 ? 0.6460 0.6546 0.5871 -0.0302 -0.0377 0.0107 358 ASN A N 2114 C CA . ASN A 291 ? 0.6625 0.6688 0.5970 -0.0335 -0.0364 0.0107 358 ASN A CA 2115 C C . ASN A 291 ? 0.5959 0.6029 0.5290 -0.0332 -0.0320 0.0089 358 ASN A C 2116 O O . ASN A 291 ? 0.5827 0.5880 0.5109 -0.0354 -0.0304 0.0085 358 ASN A O 2117 C CB . ASN A 291 ? 0.6656 0.6714 0.5976 -0.0364 -0.0383 0.0114 358 ASN A CB 2118 C CG . ASN A 291 ? 0.6681 0.6727 0.6004 -0.0373 -0.0431 0.0136 358 ASN A CG 2119 O OD1 . ASN A 291 ? 0.6683 0.6706 0.5984 -0.0380 -0.0448 0.0148 358 ASN A OD1 2120 N ND2 . ASN A 291 ? 0.6329 0.6389 0.5681 -0.0373 -0.0454 0.0141 358 ASN A ND2 2121 N N . ASP A 292 ? 0.6126 0.6219 0.5500 -0.0304 -0.0299 0.0077 359 ASP A N 2122 C CA . ASP A 292 ? 0.6337 0.6436 0.5703 -0.0297 -0.0259 0.0060 359 ASP A CA 2123 C C . ASP A 292 ? 0.6795 0.6895 0.6167 -0.0277 -0.0241 0.0055 359 ASP A C 2124 O O . ASP A 292 ? 0.6068 0.6169 0.5463 -0.0262 -0.0258 0.0062 359 ASP A O 2125 C CB . ASP A 292 ? 0.6255 0.6377 0.5660 -0.0280 -0.0246 0.0051 359 ASP A CB 2126 C CG . ASP A 292 ? 0.6819 0.6943 0.6218 -0.0301 -0.0260 0.0054 359 ASP A CG 2127 O OD1 . ASP A 292 ? 0.7019 0.7126 0.6380 -0.0330 -0.0278 0.0063 359 ASP A OD1 2128 O OD2 . ASP A 292 ? 0.6899 0.7042 0.6330 -0.0290 -0.0253 0.0047 359 ASP A OD2 2129 N N . VAL A 293 ? 0.5939 0.6037 0.5291 -0.0279 -0.0208 0.0042 360 VAL A N 2130 C CA . VAL A 293 ? 0.6453 0.6557 0.5817 -0.0257 -0.0188 0.0035 360 VAL A CA 2131 C C . VAL A 293 ? 0.5943 0.6061 0.5327 -0.0239 -0.0159 0.0021 360 VAL A C 2132 O O . VAL A 293 ? 0.5620 0.5734 0.4987 -0.0251 -0.0143 0.0014 360 VAL A O 2133 C CB . VAL A 293 ? 0.6291 0.6382 0.5616 -0.0271 -0.0168 0.0028 360 VAL A CB 2134 C CG1 . VAL A 293 ? 0.6058 0.6148 0.5388 -0.0261 -0.0173 0.0031 360 VAL A CG1 2135 C CG2 . VAL A 293 ? 0.6138 0.6211 0.5415 -0.0307 -0.0169 0.0028 360 VAL A CG2 2136 N N . TRP A 294 ? 0.5135 0.5266 0.4549 -0.0211 -0.0151 0.0018 361 TRP A N 2137 C CA . TRP A 294 ? 0.4989 0.5129 0.4416 -0.0193 -0.0122 0.0007 361 TRP A CA 2138 C C . TRP A 294 ? 0.4780 0.4917 0.4193 -0.0188 -0.0107 0.0001 361 TRP A C 2139 O O . TRP A 294 ? 0.4495 0.4631 0.3909 -0.0185 -0.0118 0.0007 361 TRP A O 2140 C CB . TRP A 294 ? 0.4890 0.5048 0.4359 -0.0167 -0.0124 0.0006 361 TRP A CB 2141 C CG . TRP A 294 ? 0.5147 0.5314 0.4637 -0.0167 -0.0131 0.0007 361 TRP A CG 2142 C CD1 . TRP A 294 ? 0.5390 0.5565 0.4905 -0.0167 -0.0157 0.0014 361 TRP A CD1 2143 C CD2 . TRP A 294 ? 0.5236 0.5407 0.4728 -0.0167 -0.0113 0.0000 361 TRP A CD2 2144 N NE1 . TRP A 294 ? 0.5484 0.5670 0.5017 -0.0167 -0.0155 0.0011 361 TRP A NE1 2145 C CE2 . TRP A 294 ? 0.5046 0.5229 0.4563 -0.0169 -0.0128 0.0002 361 TRP A CE2 2146 C CE3 . TRP A 294 ? 0.5017 0.5182 0.4493 -0.0166 -0.0085 -0.0008 361 TRP A CE3 2147 C CZ2 . TRP A 294 ? 0.5330 0.5519 0.4854 -0.0171 -0.0116 -0.0003 361 TRP A CZ2 2148 C CZ3 . TRP A 294 ? 0.5357 0.5524 0.4838 -0.0168 -0.0074 -0.0013 361 TRP A CZ3 2149 C CH2 . TRP A 294 ? 0.5297 0.5477 0.4801 -0.0171 -0.0089 -0.0011 361 TRP A CH2 2150 N N . MET A 295 ? 0.4606 0.4742 0.4008 -0.0187 -0.0080 -0.0008 362 MET A N 2151 C CA . MET A 295 ? 0.5415 0.5550 0.4807 -0.0184 -0.0065 -0.0015 362 MET A CA 2152 C C . MET A 295 ? 0.4695 0.4834 0.4094 -0.0170 -0.0038 -0.0026 362 MET A C 2153 O O . MET A 295 ? 0.4909 0.5045 0.4310 -0.0170 -0.0029 -0.0029 362 MET A O 2154 C CB . MET A 295 ? 0.5090 0.5209 0.4443 -0.0213 -0.0065 -0.0016 362 MET A CB 2155 C CG . MET A 295 ? 0.5359 0.5467 0.4687 -0.0236 -0.0058 -0.0021 362 MET A CG 2156 S SD . MET A 295 ? 0.5849 0.5940 0.5127 -0.0274 -0.0056 -0.0024 362 MET A SD 2157 C CE . MET A 295 ? 0.5816 0.5912 0.5096 -0.0264 -0.0021 -0.0043 362 MET A CE 2158 N N . GLY A 296 ? 0.4624 0.4768 0.4027 -0.0157 -0.0026 -0.0031 363 GLY A N 2159 C CA . GLY A 296 ? 0.4206 0.4353 0.3616 -0.0144 -0.0002 -0.0041 363 GLY A CA 2160 C C . GLY A 296 ? 0.4519 0.4662 0.3909 -0.0156 0.0011 -0.0052 363 GLY A C 2161 O O . GLY A 296 ? 0.4997 0.5138 0.4371 -0.0173 0.0003 -0.0050 363 GLY A O 2162 N N . ARG A 297 ? 0.4633 0.4773 0.4025 -0.0150 0.0033 -0.0062 364 ARG A N 2163 C CA . ARG A 297 ? 0.4836 0.4978 0.4220 -0.0156 0.0050 -0.0075 364 ARG A CA 2164 C C . ARG A 297 ? 0.4912 0.5054 0.4312 -0.0139 0.0071 -0.0085 364 ARG A C 2165 O O . ARG A 297 ? 0.5255 0.5390 0.4663 -0.0128 0.0074 -0.0082 364 ARG A O 2166 C CB . ARG A 297 ? 0.5134 0.5263 0.4486 -0.0189 0.0053 -0.0081 364 ARG A CB 2167 C CG . ARG A 297 ? 0.5240 0.5355 0.4580 -0.0200 0.0062 -0.0085 364 ARG A CG 2168 C CD . ARG A 297 ? 0.5611 0.5713 0.4915 -0.0236 0.0060 -0.0089 364 ARG A CD 2169 N NE . ARG A 297 ? 0.5622 0.5709 0.4913 -0.0248 0.0074 -0.0097 364 ARG A NE 2170 C CZ . ARG A 297 ? 0.6121 0.6196 0.5378 -0.0280 0.0077 -0.0103 364 ARG A CZ 2171 N NH1 . ARG A 297 ? 0.6389 0.6451 0.5636 -0.0290 0.0091 -0.0112 364 ARG A NH1 2172 N NH2 . ARG A 297 ? 0.6204 0.6277 0.5435 -0.0305 0.0066 -0.0100 364 ARG A NH2 2173 N N . THR A 298 ? 0.5223 0.5371 0.4627 -0.0137 0.0086 -0.0097 365 THR A N 2174 C CA . THR A 298 ? 0.5604 0.5751 0.5025 -0.0121 0.0106 -0.0108 365 THR A CA 2175 C C . THR A 298 ? 0.5802 0.5929 0.5205 -0.0138 0.0119 -0.0117 365 THR A C 2176 O O . THR A 298 ? 0.5570 0.5689 0.4946 -0.0166 0.0116 -0.0118 365 THR A O 2177 C CB . THR A 298 ? 0.5832 0.5992 0.5264 -0.0118 0.0119 -0.0122 365 THR A CB 2178 O OG1 . THR A 298 ? 0.5616 0.5773 0.5024 -0.0147 0.0128 -0.0134 365 THR A OG1 2179 C CG2 . THR A 298 ? 0.6191 0.6371 0.5638 -0.0104 0.0107 -0.0115 365 THR A CG2 2180 N N . ILE A 299 ? 0.6417 0.6534 0.5833 -0.0123 0.0132 -0.0121 366 ILE A N 2181 C CA . ILE A 299 ? 0.5859 0.5956 0.5258 -0.0139 0.0146 -0.0131 366 ILE A CA 2182 C C . ILE A 299 ? 0.5973 0.6070 0.5366 -0.0154 0.0166 -0.0151 366 ILE A C 2183 O O . ILE A 299 ? 0.5486 0.5572 0.4853 -0.0183 0.0173 -0.0159 366 ILE A O 2184 C CB . ILE A 299 ? 0.5737 0.5820 0.5149 -0.0121 0.0153 -0.0128 366 ILE A CB 2185 C CG1 . ILE A 299 ? 0.6419 0.6501 0.5829 -0.0117 0.0135 -0.0111 366 ILE A CG1 2186 C CG2 . ILE A 299 ? 0.5415 0.5475 0.4812 -0.0136 0.0171 -0.0141 366 ILE A CG2 2187 C CD1 . ILE A 299 ? 0.6349 0.6421 0.5774 -0.0095 0.0139 -0.0106 366 ILE A CD1 2188 N N . SER A 300 ? 0.5925 0.6036 0.5343 -0.0137 0.0175 -0.0160 367 SER A N 2189 C CA . SER A 300 ? 0.5898 0.6013 0.5314 -0.0151 0.0196 -0.0182 367 SER A CA 2190 C C . SER A 300 ? 0.6093 0.6217 0.5484 -0.0179 0.0189 -0.0183 367 SER A C 2191 O O . SER A 300 ? 0.7362 0.7498 0.6752 -0.0176 0.0170 -0.0168 367 SER A O 2192 C CB . SER A 300 ? 0.6152 0.6282 0.5606 -0.0124 0.0206 -0.0191 367 SER A CB 2193 O OG . SER A 300 ? 0.6671 0.6814 0.6128 -0.0138 0.0222 -0.0212 367 SER A OG 2194 N N . GLU A 301 ? 0.6088 0.6205 0.5457 -0.0207 0.0206 -0.0199 368 GLU A N 2195 C CA . GLU A 301 ? 0.6346 0.6469 0.5686 -0.0239 0.0203 -0.0203 368 GLU A CA 2196 C C . GLU A 301 ? 0.6010 0.6156 0.5370 -0.0234 0.0215 -0.0217 368 GLU A C 2197 O O . GLU A 301 ? 0.6199 0.6353 0.5539 -0.0256 0.0211 -0.0218 368 GLU A O 2198 C CB . GLU A 301 ? 0.6313 0.6418 0.5617 -0.0274 0.0217 -0.0217 368 GLU A CB 2199 C CG . GLU A 301 ? 0.7622 0.7707 0.6901 -0.0286 0.0202 -0.0201 368 GLU A CG 2200 C CD . GLU A 301 ? 0.8403 0.8468 0.7672 -0.0296 0.0220 -0.0214 368 GLU A CD 2201 O OE1 . GLU A 301 ? 0.8907 0.8972 0.8193 -0.0290 0.0245 -0.0235 368 GLU A OE1 2202 O OE2 . GLU A 301 ? 1.0653 1.0703 0.9899 -0.0311 0.0209 -0.0203 368 GLU A OE2 2203 N N . ASP A 302 ? 0.6571 0.6727 0.5971 -0.0205 0.0228 -0.0228 369 ASP A N 2204 C CA . ASP A 302 ? 0.6727 0.6908 0.6153 -0.0199 0.0242 -0.0245 369 ASP A CA 2205 C C . ASP A 302 ? 0.6997 0.7198 0.6455 -0.0168 0.0227 -0.0233 369 ASP A C 2206 O O . ASP A 302 ? 0.6521 0.6743 0.5987 -0.0170 0.0227 -0.0238 369 ASP A O 2207 C CB . ASP A 302 ? 0.7380 0.7562 0.6835 -0.0189 0.0269 -0.0270 369 ASP A CB 2208 C CG . ASP A 302 ? 0.7838 0.8000 0.7263 -0.0221 0.0289 -0.0287 369 ASP A CG 2209 O OD1 . ASP A 302 ? 0.8064 0.8224 0.7451 -0.0257 0.0290 -0.0291 369 ASP A OD1 2210 O OD2 . ASP A 302 ? 0.8930 0.9077 0.8368 -0.0211 0.0304 -0.0297 369 ASP A OD2 2211 N N . SER A 303 ? 0.6793 0.6987 0.6268 -0.0140 0.0215 -0.0217 370 SER A N 2212 C CA . SER A 303 ? 0.6880 0.7094 0.6386 -0.0111 0.0203 -0.0208 370 SER A CA 2213 C C . SER A 303 ? 0.6284 0.6489 0.5784 -0.0096 0.0179 -0.0182 370 SER A C 2214 O O . SER A 303 ? 0.6629 0.6813 0.6105 -0.0107 0.0174 -0.0173 370 SER A O 2215 C CB . SER A 303 ? 0.8018 0.8238 0.7564 -0.0084 0.0218 -0.0221 370 SER A CB 2216 O OG . SER A 303 ? 0.8951 0.9148 0.8499 -0.0071 0.0219 -0.0216 370 SER A OG 2217 N N . ARG A 304 ? 0.5958 0.6179 0.5479 -0.0074 0.0167 -0.0173 371 ARG A N 2218 C CA . ARG A 304 ? 0.5842 0.6059 0.5360 -0.0060 0.0145 -0.0151 371 ARG A CA 2219 C C . ARG A 304 ? 0.5293 0.5498 0.4825 -0.0037 0.0146 -0.0144 371 ARG A C 2220 O O . ARG A 304 ? 0.5279 0.5493 0.4833 -0.0012 0.0139 -0.0137 371 ARG A O 2221 C CB . ARG A 304 ? 0.5830 0.6071 0.5360 -0.0050 0.0132 -0.0144 371 ARG A CB 2222 C CG . ARG A 304 ? 0.5985 0.6237 0.5499 -0.0075 0.0131 -0.0150 371 ARG A CG 2223 C CD . ARG A 304 ? 0.5835 0.6112 0.5369 -0.0063 0.0124 -0.0149 371 ARG A CD 2224 N NE . ARG A 304 ? 0.5694 0.5977 0.5206 -0.0088 0.0121 -0.0152 371 ARG A NE 2225 C CZ . ARG A 304 ? 0.5264 0.5564 0.4781 -0.0087 0.0111 -0.0149 371 ARG A CZ 2226 N NH1 . ARG A 304 ? 0.5244 0.5560 0.4787 -0.0061 0.0104 -0.0144 371 ARG A NH1 2227 N NH2 . ARG A 304 ? 0.4924 0.5223 0.4418 -0.0113 0.0108 -0.0150 371 ARG A NH2 2228 N N . SER A 305 ? 0.5998 0.6180 0.5515 -0.0047 0.0154 -0.0146 372 SER A N 2229 C CA . SER A 305 ? 0.5556 0.5720 0.5081 -0.0030 0.0157 -0.0142 372 SER A CA 2230 C C . SER A 305 ? 0.5576 0.5720 0.5075 -0.0045 0.0151 -0.0132 372 SER A C 2231 O O . SER A 305 ? 0.4802 0.4939 0.4278 -0.0071 0.0153 -0.0136 372 SER A O 2232 C CB . SER A 305 ? 0.5870 0.6027 0.5409 -0.0029 0.0178 -0.0160 372 SER A CB 2233 O OG . SER A 305 ? 0.7440 0.7571 0.6969 -0.0030 0.0185 -0.0160 372 SER A OG 2234 N N . GLY A 306 ? 0.5034 0.5169 0.4536 -0.0029 0.0142 -0.0118 373 GLY A N 2235 C CA . GLY A 306 ? 0.4732 0.4853 0.4215 -0.0041 0.0135 -0.0108 373 GLY A CA 2236 C C . GLY A 306 ? 0.4659 0.4792 0.4130 -0.0053 0.0117 -0.0098 373 GLY A C 2237 O O . GLY A 306 ? 0.4555 0.4704 0.4028 -0.0056 0.0111 -0.0099 373 GLY A O 2238 N N . TYR A 307 ? 0.4647 0.4771 0.4108 -0.0059 0.0109 -0.0088 374 TYR A N 2239 C CA . TYR A 307 ? 0.4590 0.4723 0.4043 -0.0070 0.0091 -0.0079 374 TYR A CA 2240 C C . TYR A 307 ? 0.4816 0.4936 0.4258 -0.0083 0.0087 -0.0074 374 TYR A C 2241 O O . TYR A 307 ? 0.4781 0.4892 0.4227 -0.0073 0.0092 -0.0071 374 TYR A O 2242 C CB . TYR A 307 ? 0.4960 0.5110 0.4430 -0.0051 0.0078 -0.0069 374 TYR A CB 2243 C CG . TYR A 307 ? 0.4679 0.4840 0.4145 -0.0062 0.0061 -0.0064 374 TYR A CG 2244 C CD1 . TYR A 307 ? 0.4429 0.4600 0.3893 -0.0068 0.0059 -0.0068 374 TYR A CD1 2245 C CD2 . TYR A 307 ? 0.4538 0.4698 0.4002 -0.0068 0.0047 -0.0055 374 TYR A CD2 2246 C CE1 . TYR A 307 ? 0.4904 0.5080 0.4360 -0.0080 0.0044 -0.0062 374 TYR A CE1 2247 C CE2 . TYR A 307 ? 0.4524 0.4691 0.3985 -0.0077 0.0030 -0.0049 374 TYR A CE2 2248 C CZ . TYR A 307 ? 0.4880 0.5053 0.4336 -0.0084 0.0028 -0.0052 374 TYR A CZ 2249 O OH . TYR A 307 ? 0.4712 0.4889 0.4163 -0.0094 0.0010 -0.0046 374 TYR A OH 2250 N N . GLU A 308 ? 0.5131 0.5252 0.4558 -0.0104 0.0076 -0.0072 375 GLU A N 2251 C CA . GLU A 308 ? 0.4950 0.5063 0.4365 -0.0120 0.0069 -0.0068 375 GLU A CA 2252 C C . GLU A 308 ? 0.4953 0.5076 0.4367 -0.0130 0.0047 -0.0058 375 GLU A C 2253 O O . GLU A 308 ? 0.5130 0.5260 0.4540 -0.0134 0.0039 -0.0057 375 GLU A O 2254 C CB . GLU A 308 ? 0.5360 0.5457 0.4753 -0.0143 0.0081 -0.0077 375 GLU A CB 2255 C CG . GLU A 308 ? 0.5581 0.5678 0.4954 -0.0164 0.0081 -0.0084 375 GLU A CG 2256 C CD . GLU A 308 ? 0.6183 0.6263 0.5531 -0.0189 0.0095 -0.0096 375 GLU A CD 2257 O OE1 . GLU A 308 ? 0.5957 0.6025 0.5302 -0.0192 0.0103 -0.0098 375 GLU A OE1 2258 O OE2 . GLU A 308 ? 0.5720 0.5800 0.5050 -0.0208 0.0101 -0.0105 375 GLU A OE2 2259 N N . THR A 309 ? 0.4915 0.5038 0.4333 -0.0133 0.0036 -0.0051 376 THR A N 2260 C CA . THR A 309 ? 0.4997 0.5128 0.4416 -0.0143 0.0013 -0.0043 376 THR A CA 2261 C C . THR A 309 ? 0.4614 0.4736 0.4018 -0.0166 0.0008 -0.0042 376 THR A C 2262 O O . THR A 309 ? 0.4383 0.4497 0.3785 -0.0168 0.0020 -0.0047 376 THR A O 2263 C CB . THR A 309 ? 0.5001 0.5147 0.4448 -0.0124 0.0000 -0.0035 376 THR A CB 2264 O OG1 . THR A 309 ? 0.5292 0.5437 0.4749 -0.0115 0.0011 -0.0036 376 THR A OG1 2265 C CG2 . THR A 309 ? 0.6002 0.6157 0.5461 -0.0106 0.0002 -0.0035 376 THR A CG2 2266 N N . PHE A 310 ? 0.4748 0.4871 0.4144 -0.0182 -0.0012 -0.0035 377 PHE A N 2267 C CA . PHE A 310 ? 0.4682 0.4801 0.4068 -0.0203 -0.0023 -0.0033 377 PHE A CA 2268 C C . PHE A 310 ? 0.4986 0.5109 0.4371 -0.0214 -0.0052 -0.0022 377 PHE A C 2269 O O . PHE A 310 ? 0.5037 0.5163 0.4425 -0.0207 -0.0061 -0.0017 377 PHE A O 2270 C CB . PHE A 310 ? 0.4582 0.4683 0.3935 -0.0226 -0.0007 -0.0042 377 PHE A CB 2271 C CG . PHE A 310 ? 0.4646 0.4741 0.3977 -0.0237 -0.0001 -0.0047 377 PHE A CG 2272 C CD1 . PHE A 310 ? 0.5361 0.5452 0.4670 -0.0258 -0.0020 -0.0040 377 PHE A CD1 2273 C CD2 . PHE A 310 ? 0.5606 0.5696 0.4935 -0.0228 0.0022 -0.0058 377 PHE A CD2 2274 C CE1 . PHE A 310 ? 0.5601 0.5685 0.4886 -0.0272 -0.0013 -0.0046 377 PHE A CE1 2275 C CE2 . PHE A 310 ? 0.6196 0.6282 0.5504 -0.0241 0.0030 -0.0066 377 PHE A CE2 2276 C CZ . PHE A 310 ? 0.6049 0.6133 0.5335 -0.0263 0.0013 -0.0060 377 PHE A CZ 2277 N N . ARG A 311 ? 0.4916 0.5038 0.4297 -0.0231 -0.0066 -0.0017 378 ARG A N 2278 C CA . ARG A 311 ? 0.5307 0.5428 0.4683 -0.0245 -0.0095 -0.0007 378 ARG A CA 2279 C C . ARG A 311 ? 0.5863 0.5968 0.5197 -0.0279 -0.0098 -0.0007 378 ARG A C 2280 O O . ARG A 311 ? 0.5252 0.5349 0.4569 -0.0292 -0.0082 -0.0015 378 ARG A O 2281 C CB . ARG A 311 ? 0.5447 0.5583 0.4854 -0.0239 -0.0112 -0.0001 378 ARG A CB 2282 C CG . ARG A 311 ? 0.6304 0.6440 0.5713 -0.0251 -0.0146 0.0010 378 ARG A CG 2283 C CD . ARG A 311 ? 0.7319 0.7476 0.6774 -0.0235 -0.0162 0.0014 378 ARG A CD 2284 N NE . ARG A 311 ? 0.8130 0.8291 0.7585 -0.0253 -0.0175 0.0016 378 ARG A NE 2285 C CZ . ARG A 311 ? 0.8120 0.8291 0.7589 -0.0252 -0.0163 0.0008 378 ARG A CZ 2286 N NH1 . ARG A 311 ? 0.7292 0.7466 0.6759 -0.0271 -0.0178 0.0011 378 ARG A NH1 2287 N NH2 . ARG A 311 ? 0.9379 0.9556 0.8862 -0.0234 -0.0137 0.0000 378 ARG A NH2 2288 N N . VAL A 312 ? 0.5603 0.5699 0.4917 -0.0294 -0.0118 0.0001 379 VAL A N 2289 C CA . VAL A 312 ? 0.5655 0.5734 0.4925 -0.0329 -0.0124 0.0002 379 VAL A CA 2290 C C . VAL A 312 ? 0.5695 0.5775 0.4968 -0.0341 -0.0161 0.0018 379 VAL A C 2291 O O . VAL A 312 ? 0.4778 0.4859 0.4063 -0.0333 -0.0184 0.0029 379 VAL A O 2292 C CB . VAL A 312 ? 0.5699 0.5766 0.4936 -0.0343 -0.0117 0.0000 379 VAL A CB 2293 C CG1 . VAL A 312 ? 0.6300 0.6348 0.5487 -0.0383 -0.0121 0.0000 379 VAL A CG1 2294 C CG2 . VAL A 312 ? 0.5346 0.5416 0.4589 -0.0327 -0.0083 -0.0015 379 VAL A CG2 2295 N N . THR A 313 ? 0.5863 0.5941 0.5125 -0.0360 -0.0168 0.0018 380 THR A N 2296 C CA . THR A 313 ? 0.6353 0.6435 0.5624 -0.0371 -0.0205 0.0033 380 THR A CA 2297 C C . THR A 313 ? 0.6349 0.6410 0.5576 -0.0398 -0.0226 0.0044 380 THR A C 2298 O O . THR A 313 ? 0.5669 0.5713 0.4850 -0.0423 -0.0209 0.0037 380 THR A O 2299 C CB . THR A 313 ? 0.6689 0.6777 0.5962 -0.0384 -0.0209 0.0031 380 THR A CB 2300 O OG1 . THR A 313 ? 0.8593 0.8664 0.7818 -0.0414 -0.0192 0.0023 380 THR A OG1 2301 C CG2 . THR A 313 ? 0.6939 0.7046 0.6252 -0.0359 -0.0188 0.0020 380 THR A CG2 2302 N N . ASP A 314 ? 0.5740 0.5801 0.4981 -0.0393 -0.0259 0.0060 381 ASP A N 2303 C CA . ASP A 314 ? 0.6294 0.6333 0.5496 -0.0417 -0.0281 0.0073 381 ASP A CA 2304 C C . ASP A 314 ? 0.6181 0.6208 0.5359 -0.0417 -0.0261 0.0067 381 ASP A C 2305 O O . ASP A 314 ? 0.6072 0.6078 0.5209 -0.0441 -0.0273 0.0075 381 ASP A O 2306 C CB . ASP A 314 ? 0.6712 0.6735 0.5865 -0.0458 -0.0293 0.0078 381 ASP A CB 2307 C CG . ASP A 314 ? 0.7684 0.7719 0.6863 -0.0459 -0.0324 0.0088 381 ASP A CG 2308 O OD1 . ASP A 314 ? 0.7530 0.7570 0.6742 -0.0444 -0.0357 0.0102 381 ASP A OD1 2309 O OD2 . ASP A 314 ? 0.8309 0.8349 0.7480 -0.0473 -0.0315 0.0080 381 ASP A OD2 2310 N N . GLY A 315 ? 0.6286 0.6326 0.5489 -0.0391 -0.0230 0.0053 382 GLY A N 2311 C CA . GLY A 315 ? 0.5428 0.5462 0.4611 -0.0391 -0.0206 0.0044 382 GLY A CA 2312 C C . GLY A 315 ? 0.5182 0.5211 0.4374 -0.0380 -0.0224 0.0054 382 GLY A C 2313 O O . GLY A 315 ? 0.6392 0.6414 0.5563 -0.0385 -0.0209 0.0049 382 GLY A O 2314 N N . TRP A 316 ? 0.5047 0.5082 0.4272 -0.0364 -0.0254 0.0068 383 TRP A N 2315 C CA . TRP A 316 ? 0.5593 0.5619 0.4823 -0.0357 -0.0274 0.0079 383 TRP A CA 2316 C C . TRP A 316 ? 0.6310 0.6308 0.5498 -0.0388 -0.0307 0.0097 383 TRP A C 2317 O O . TRP A 316 ? 0.6237 0.6221 0.5410 -0.0393 -0.0314 0.0103 383 TRP A O 2318 C CB . TRP A 316 ? 0.5869 0.5911 0.5157 -0.0323 -0.0291 0.0085 383 TRP A CB 2319 C CG . TRP A 316 ? 0.5829 0.5865 0.5129 -0.0310 -0.0302 0.0091 383 TRP A CG 2320 C CD1 . TRP A 316 ? 0.6275 0.6297 0.5581 -0.0311 -0.0338 0.0107 383 TRP A CD1 2321 C CD2 . TRP A 316 ? 0.6164 0.6203 0.5465 -0.0297 -0.0278 0.0081 383 TRP A CD2 2322 N NE1 . TRP A 316 ? 0.6390 0.6407 0.5702 -0.0299 -0.0337 0.0108 383 TRP A NE1 2323 C CE2 . TRP A 316 ? 0.6179 0.6208 0.5488 -0.0290 -0.0300 0.0092 383 TRP A CE2 2324 C CE3 . TRP A 316 ? 0.5976 0.6028 0.5276 -0.0288 -0.0242 0.0065 383 TRP A CE3 2325 C CZ2 . TRP A 316 ? 0.6557 0.6587 0.5870 -0.0278 -0.0286 0.0086 383 TRP A CZ2 2326 C CZ3 . TRP A 316 ? 0.6326 0.6381 0.5632 -0.0274 -0.0229 0.0059 383 TRP A CZ3 2327 C CH2 . TRP A 316 ? 0.6526 0.6572 0.5839 -0.0269 -0.0251 0.0070 383 TRP A CH2 2328 N N . THR A 317 ? 0.6968 0.6960 0.6140 -0.0410 -0.0328 0.0106 384 THR A N 2329 C CA . THR A 317 ? 0.7049 0.7014 0.6184 -0.0438 -0.0365 0.0126 384 THR A CA 2330 C C . THR A 317 ? 0.6816 0.6761 0.5886 -0.0483 -0.0362 0.0126 384 THR A C 2331 O O . THR A 317 ? 0.7122 0.7042 0.6153 -0.0510 -0.0389 0.0142 384 THR A O 2332 C CB . THR A 317 ? 0.6672 0.6640 0.5843 -0.0428 -0.0407 0.0143 384 THR A CB 2333 O OG1 . THR A 317 ? 0.6630 0.6618 0.5822 -0.0425 -0.0402 0.0136 384 THR A OG1 2334 C CG2 . THR A 317 ? 0.6940 0.6919 0.6167 -0.0389 -0.0416 0.0145 384 THR A CG2 2335 N N . THR A 318 ? 0.7015 0.6971 0.6073 -0.0492 -0.0330 0.0108 385 THR A N 2336 C CA . THR A 318 ? 0.7092 0.7030 0.6087 -0.0535 -0.0321 0.0105 385 THR A CA 2337 C C . THR A 318 ? 0.6878 0.6816 0.5849 -0.0542 -0.0278 0.0084 385 THR A C 2338 O O . THR A 318 ? 0.7827 0.7783 0.6823 -0.0522 -0.0245 0.0065 385 THR A O 2339 C CB . THR A 318 ? 0.7694 0.7642 0.6692 -0.0544 -0.0319 0.0099 385 THR A CB 2340 O OG1 . THR A 318 ? 0.7404 0.7356 0.6430 -0.0536 -0.0359 0.0117 385 THR A OG1 2341 C CG2 . THR A 318 ? 0.7201 0.7129 0.6131 -0.0592 -0.0310 0.0094 385 THR A CG2 2342 N N . ALA A 319 ? 0.7204 0.7119 0.6120 -0.0576 -0.0279 0.0086 386 ALA A N 2343 C CA . ALA A 319 ? 0.7333 0.7247 0.6222 -0.0589 -0.0239 0.0066 386 ALA A CA 2344 C C . ALA A 319 ? 0.7443 0.7367 0.6327 -0.0596 -0.0205 0.0044 386 ALA A C 2345 O O . ALA A 319 ? 0.6642 0.6558 0.5499 -0.0621 -0.0213 0.0046 386 ALA A O 2346 C CB . ALA A 319 ? 0.7330 0.7216 0.6152 -0.0634 -0.0248 0.0072 386 ALA A CB 2347 N N . ASN A 320 ? 0.7355 0.7296 0.6267 -0.0571 -0.0169 0.0024 387 ASN A N 2348 C CA . ASN A 320 ? 0.6945 0.6893 0.5852 -0.0577 -0.0131 0.0000 387 ASN A CA 2349 C C . ASN A 320 ? 0.6939 0.6898 0.5875 -0.0562 -0.0129 -0.0001 387 ASN A C 2350 O O . ASN A 320 ? 0.6929 0.6888 0.5853 -0.0573 -0.0102 -0.0019 387 ASN A O 2351 C CB . ASN A 320 ? 0.7461 0.7389 0.6302 -0.0628 -0.0123 -0.0006 387 ASN A CB 2352 C CG . ASN A 320 ? 0.8178 0.8111 0.7010 -0.0634 -0.0078 -0.0033 387 ASN A CG 2353 O OD1 . ASN A 320 ? 0.8597 0.8541 0.7452 -0.0614 -0.0063 -0.0041 387 ASN A OD1 2354 N ND2 . ASN A 320 ? 0.9896 0.9821 0.8698 -0.0661 -0.0057 -0.0050 387 ASN A ND2 2355 N N . SER A 321 ? 0.6577 0.6547 0.5555 -0.0535 -0.0155 0.0013 388 SER A N 2356 C CA . SER A 321 ? 0.6637 0.6620 0.5646 -0.0518 -0.0149 0.0008 388 SER A CA 2357 C C . SER A 321 ? 0.6883 0.6878 0.5918 -0.0494 -0.0109 -0.0012 388 SER A C 2358 O O . SER A 321 ? 0.6570 0.6575 0.5629 -0.0469 -0.0098 -0.0015 388 SER A O 2359 C CB . SER A 321 ? 0.6586 0.6584 0.5643 -0.0490 -0.0177 0.0024 388 SER A CB 2360 O OG . SER A 321 ? 0.8928 0.8915 0.7971 -0.0503 -0.0216 0.0044 388 SER A OG 2361 N N . LYS A 322 ? 0.6887 0.6882 0.5919 -0.0501 -0.0090 -0.0024 389 LYS A N 2362 C CA . LYS A 322 ? 0.6259 0.6261 0.5313 -0.0480 -0.0054 -0.0043 389 LYS A CA 2363 C C . LYS A 322 ? 0.6291 0.6302 0.5375 -0.0463 -0.0053 -0.0043 389 LYS A C 2364 O O . LYS A 322 ? 0.6765 0.6776 0.5860 -0.0453 -0.0025 -0.0058 389 LYS A O 2365 C CB . LYS A 322 ? 0.6605 0.6595 0.5621 -0.0508 -0.0024 -0.0063 389 LYS A CB 2366 C CG . LYS A 322 ? 0.7214 0.7200 0.6209 -0.0518 -0.0017 -0.0068 389 LYS A CG 2367 C CD . LYS A 322 ? 0.6650 0.6627 0.5618 -0.0539 0.0018 -0.0092 389 LYS A CD 2368 C CE . LYS A 322 ? 0.6817 0.6791 0.5760 -0.0556 0.0023 -0.0096 389 LYS A CE 2369 N NZ . LYS A 322 ? 0.7311 0.7284 0.6245 -0.0565 0.0063 -0.0124 389 LYS A NZ 2370 N N . SER A 323 ? 0.5884 0.5903 0.4987 -0.0457 -0.0084 -0.0026 390 SER A N 2371 C CA . SER A 323 ? 0.6460 0.6488 0.5588 -0.0447 -0.0087 -0.0026 390 SER A CA 2372 C C . SER A 323 ? 0.6074 0.6121 0.5256 -0.0404 -0.0082 -0.0025 390 SER A C 2373 O O . SER A 323 ? 0.6211 0.6271 0.5424 -0.0387 -0.0106 -0.0012 390 SER A O 2374 C CB . SER A 323 ? 0.6857 0.6886 0.5977 -0.0466 -0.0126 -0.0008 390 SER A CB 2375 O OG . SER A 323 ? 0.8827 0.8867 0.7971 -0.0460 -0.0127 -0.0009 390 SER A OG 2376 N N . GLN A 324 ? 0.5784 0.5830 0.4977 -0.0387 -0.0050 -0.0039 391 GLN A N 2377 C CA . GLN A 324 ? 0.5871 0.5932 0.5108 -0.0351 -0.0045 -0.0038 391 GLN A CA 2378 C C . GLN A 324 ? 0.5717 0.5787 0.4979 -0.0341 -0.0044 -0.0038 391 GLN A C 2379 O O . GLN A 324 ? 0.5840 0.5902 0.5087 -0.0358 -0.0035 -0.0045 391 GLN A O 2380 C CB . GLN A 324 ? 0.6639 0.6699 0.5884 -0.0330 -0.0018 -0.0049 391 GLN A CB 2381 C CG . GLN A 324 ? 0.7002 0.7051 0.6239 -0.0331 0.0012 -0.0065 391 GLN A CG 2382 C CD . GLN A 324 ? 0.6541 0.6595 0.5805 -0.0299 0.0032 -0.0071 391 GLN A CD 2383 O OE1 . GLN A 324 ? 0.5865 0.5922 0.5151 -0.0280 0.0040 -0.0071 391 GLN A OE1 2384 N NE2 . GLN A 324 ? 0.6469 0.6523 0.5728 -0.0295 0.0041 -0.0076 391 GLN A NE2 2385 N N . VAL A 325 ? 0.5892 0.5978 0.5192 -0.0313 -0.0051 -0.0032 392 VAL A N 2386 C CA . VAL A 325 ? 0.6288 0.6384 0.5616 -0.0299 -0.0047 -0.0033 392 VAL A CA 2387 C C . VAL A 325 ? 0.5969 0.6078 0.5332 -0.0265 -0.0039 -0.0033 392 VAL A C 2388 O O . VAL A 325 ? 0.5520 0.5633 0.4890 -0.0252 -0.0045 -0.0029 392 VAL A O 2389 C CB . VAL A 325 ? 0.6775 0.6885 0.6116 -0.0312 -0.0076 -0.0024 392 VAL A CB 2390 C CG1 . VAL A 325 ? 0.6454 0.6576 0.5817 -0.0300 -0.0104 -0.0011 392 VAL A CG1 2391 C CG2 . VAL A 325 ? 0.7851 0.7971 0.7217 -0.0304 -0.0070 -0.0028 392 VAL A CG2 2392 N N . ASN A 326 ? 0.6106 0.6220 0.5488 -0.0253 -0.0026 -0.0037 393 ASN A N 2393 C CA . ASN A 326 ? 0.5708 0.5832 0.5119 -0.0224 -0.0020 -0.0037 393 ASN A CA 2394 C C . ASN A 326 ? 0.5729 0.5845 0.5136 -0.0207 -0.0002 -0.0041 393 ASN A C 2395 O O . ASN A 326 ? 0.5293 0.5420 0.4718 -0.0187 -0.0007 -0.0037 393 ASN A O 2396 C CB . ASN A 326 ? 0.5902 0.6048 0.5344 -0.0213 -0.0045 -0.0028 393 ASN A CB 2397 C CG . ASN A 326 ? 0.5982 0.6142 0.5442 -0.0222 -0.0061 -0.0025 393 ASN A CG 2398 O OD1 . ASN A 326 ? 0.6062 0.6235 0.5542 -0.0221 -0.0086 -0.0018 393 ASN A OD1 2399 N ND2 . ASN A 326 ? 0.5945 0.6102 0.5402 -0.0231 -0.0049 -0.0031 393 ASN A ND2 2400 N N . ARG A 327 ? 0.6091 0.6190 0.5474 -0.0216 0.0017 -0.0049 394 ARG A N 2401 C CA . ARG A 327 ? 0.5510 0.5602 0.4891 -0.0200 0.0034 -0.0054 394 ARG A CA 2402 C C . ARG A 327 ? 0.5177 0.5271 0.4578 -0.0175 0.0046 -0.0054 394 ARG A C 2403 O O . ARG A 327 ? 0.5563 0.5653 0.4968 -0.0177 0.0052 -0.0055 394 ARG A O 2404 C CB . ARG A 327 ? 0.5157 0.5229 0.4511 -0.0215 0.0053 -0.0065 394 ARG A CB 2405 C CG . ARG A 327 ? 0.5954 0.6021 0.5312 -0.0198 0.0071 -0.0072 394 ARG A CG 2406 C CD . ARG A 327 ? 0.5824 0.5874 0.5158 -0.0215 0.0089 -0.0086 394 ARG A CD 2407 N NE . ARG A 327 ? 0.6090 0.6137 0.5430 -0.0199 0.0105 -0.0094 394 ARG A NE 2408 C CZ . ARG A 327 ? 0.6152 0.6186 0.5497 -0.0188 0.0126 -0.0103 394 ARG A CZ 2409 N NH1 . ARG A 327 ? 0.7155 0.7172 0.6496 -0.0190 0.0136 -0.0106 394 ARG A NH1 2410 N NH2 . ARG A 327 ? 0.6194 0.6230 0.5549 -0.0174 0.0137 -0.0110 394 ARG A NH2 2411 N N . GLN A 328 ? 0.4620 0.4720 0.4032 -0.0155 0.0047 -0.0053 395 GLN A N 2412 C CA . GLN A 328 ? 0.5133 0.5233 0.4560 -0.0132 0.0060 -0.0053 395 GLN A CA 2413 C C . GLN A 328 ? 0.4709 0.4803 0.4134 -0.0119 0.0071 -0.0057 395 GLN A C 2414 O O . GLN A 328 ? 0.5277 0.5380 0.4702 -0.0119 0.0064 -0.0057 395 GLN A O 2415 C CB . GLN A 328 ? 0.4545 0.4663 0.3996 -0.0116 0.0047 -0.0045 395 GLN A CB 2416 C CG . GLN A 328 ? 0.4867 0.4995 0.4329 -0.0125 0.0036 -0.0042 395 GLN A CG 2417 C CD . GLN A 328 ? 0.5029 0.5178 0.4517 -0.0110 0.0024 -0.0037 395 GLN A CD 2418 O OE1 . GLN A 328 ? 0.5749 0.5912 0.5249 -0.0113 0.0005 -0.0033 395 GLN A OE1 2419 N NE2 . GLN A 328 ? 0.4914 0.5064 0.4411 -0.0095 0.0034 -0.0037 395 GLN A NE2 2420 N N . ILE A 329 ? 0.5170 0.5250 0.4595 -0.0109 0.0088 -0.0061 396 ILE A N 2421 C CA . ILE A 329 ? 0.5363 0.5441 0.4794 -0.0090 0.0097 -0.0064 396 ILE A CA 2422 C C . ILE A 329 ? 0.5276 0.5367 0.4725 -0.0069 0.0090 -0.0056 396 ILE A C 2423 O O . ILE A 329 ? 0.5160 0.5249 0.4613 -0.0062 0.0090 -0.0050 396 ILE A O 2424 C CB . ILE A 329 ? 0.5477 0.5531 0.4901 -0.0087 0.0117 -0.0071 396 ILE A CB 2425 C CG1 . ILE A 329 ? 0.5776 0.5818 0.5182 -0.0110 0.0126 -0.0082 396 ILE A CG1 2426 C CG2 . ILE A 329 ? 0.5575 0.5628 0.5012 -0.0064 0.0123 -0.0072 396 ILE A CG2 2427 C CD1 . ILE A 329 ? 0.6064 0.6080 0.5464 -0.0109 0.0146 -0.0092 396 ILE A CD1 2428 N N . ILE A 330 ? 0.5514 0.5619 0.4971 -0.0060 0.0084 -0.0055 397 ILE A N 2429 C CA . ILE A 330 ? 0.5224 0.5342 0.4695 -0.0039 0.0078 -0.0048 397 ILE A CA 2430 C C . ILE A 330 ? 0.5004 0.5116 0.4482 -0.0021 0.0088 -0.0050 397 ILE A C 2431 O O . ILE A 330 ? 0.5466 0.5575 0.4949 -0.0006 0.0089 -0.0044 397 ILE A O 2432 C CB . ILE A 330 ? 0.5161 0.5299 0.4640 -0.0040 0.0064 -0.0046 397 ILE A CB 2433 C CG1 . ILE A 330 ? 0.5434 0.5576 0.4909 -0.0058 0.0051 -0.0044 397 ILE A CG1 2434 C CG2 . ILE A 330 ? 0.5346 0.5497 0.4839 -0.0021 0.0057 -0.0040 397 ILE A CG2 2435 C CD1 . ILE A 330 ? 0.5251 0.5398 0.4735 -0.0057 0.0045 -0.0039 397 ILE A CD1 2436 N N . VAL A 331 ? 0.4567 0.4677 0.4043 -0.0023 0.0096 -0.0059 398 VAL A N 2437 C CA . VAL A 331 ? 0.4669 0.4773 0.4155 -0.0006 0.0106 -0.0063 398 VAL A CA 2438 C C . VAL A 331 ? 0.5057 0.5143 0.4535 -0.0017 0.0122 -0.0075 398 VAL A C 2439 O O . VAL A 331 ? 0.5385 0.5476 0.4855 -0.0034 0.0124 -0.0083 398 VAL A O 2440 C CB . VAL A 331 ? 0.4618 0.4743 0.4116 0.0002 0.0101 -0.0065 398 VAL A CB 2441 C CG1 . VAL A 331 ? 0.4487 0.4608 0.4000 0.0020 0.0110 -0.0070 398 VAL A CG1 2442 C CG2 . VAL A 331 ? 0.4653 0.4795 0.4158 0.0011 0.0086 -0.0055 398 VAL A CG2 2443 N N . ASP A 332 ? 0.5627 0.5691 0.5105 -0.0008 0.0133 -0.0077 399 ASP A N 2444 C CA . ASP A 332 ? 0.5844 0.5889 0.5316 -0.0019 0.0149 -0.0090 399 ASP A CA 2445 C C . ASP A 332 ? 0.5633 0.5689 0.5118 -0.0015 0.0157 -0.0104 399 ASP A C 2446 O O . ASP A 332 ? 0.5568 0.5643 0.5071 0.0000 0.0151 -0.0101 399 ASP A O 2447 C CB . ASP A 332 ? 0.6087 0.6104 0.5558 -0.0009 0.0159 -0.0089 399 ASP A CB 2448 C CG . ASP A 332 ? 0.7431 0.7447 0.6922 0.0018 0.0156 -0.0083 399 ASP A CG 2449 O OD1 . ASP A 332 ? 0.9391 0.9402 0.8880 0.0030 0.0148 -0.0069 399 ASP A OD1 2450 O OD2 . ASP A 332 ? 0.6801 0.6822 0.6309 0.0027 0.0163 -0.0093 399 ASP A OD2 2451 N N . ASN A 333 ? 0.5304 0.5349 0.4782 -0.0031 0.0172 -0.0118 400 ASN A N 2452 C CA . ASN A 333 ? 0.6003 0.6060 0.5492 -0.0033 0.0183 -0.0135 400 ASN A CA 2453 C C . ASN A 333 ? 0.5963 0.6017 0.5480 -0.0008 0.0192 -0.0142 400 ASN A C 2454 O O . ASN A 333 ? 0.4954 0.5019 0.4484 -0.0009 0.0203 -0.0158 400 ASN A O 2455 C CB . ASN A 333 ? 0.6304 0.6352 0.5773 -0.0061 0.0196 -0.0150 400 ASN A CB 2456 C CG . ASN A 333 ? 0.6865 0.6933 0.6339 -0.0071 0.0204 -0.0165 400 ASN A CG 2457 O OD1 . ASN A 333 ? 0.7424 0.7515 0.6906 -0.0066 0.0193 -0.0160 400 ASN A OD1 2458 N ND2 . ASN A 333 ? 0.7077 0.7135 0.6543 -0.0088 0.0223 -0.0184 400 ASN A ND2 2459 N N . ASN A 334 ? 0.5694 0.5734 0.5221 0.0012 0.0188 -0.0131 401 ASN A N 2460 C CA . ASN A 334 ? 0.6423 0.6464 0.5979 0.0039 0.0190 -0.0134 401 ASN A CA 2461 C C . ASN A 334 ? 0.6162 0.6228 0.5733 0.0057 0.0173 -0.0122 401 ASN A C 2462 O O . ASN A 334 ? 0.6036 0.6101 0.5631 0.0081 0.0170 -0.0120 401 ASN A O 2463 C CB . ASN A 334 ? 0.6958 0.6965 0.6514 0.0053 0.0193 -0.0127 401 ASN A CB 2464 C CG . ASN A 334 ? 0.8023 0.8003 0.7569 0.0038 0.0212 -0.0142 401 ASN A CG 2465 O OD1 . ASN A 334 ? 0.8301 0.8287 0.7855 0.0029 0.0227 -0.0161 401 ASN A OD1 2466 N ND2 . ASN A 334 ? 0.9704 0.9654 0.9232 0.0034 0.0213 -0.0133 401 ASN A ND2 2467 N N . ASN A 335 ? 0.5758 0.5844 0.5317 0.0046 0.0161 -0.0114 402 ASN A N 2468 C CA . ASN A 335 ? 0.5173 0.5282 0.4744 0.0061 0.0145 -0.0103 402 ASN A CA 2469 C C . ASN A 335 ? 0.5398 0.5534 0.4967 0.0048 0.0141 -0.0108 402 ASN A C 2470 O O . ASN A 335 ? 0.5593 0.5729 0.5143 0.0024 0.0144 -0.0113 402 ASN A O 2471 C CB . ASN A 335 ? 0.5643 0.5743 0.5198 0.0064 0.0132 -0.0084 402 ASN A CB 2472 C CG . ASN A 335 ? 0.5819 0.5894 0.5376 0.0081 0.0133 -0.0076 402 ASN A CG 2473 O OD1 . ASN A 335 ? 0.6072 0.6150 0.5645 0.0101 0.0126 -0.0071 402 ASN A OD1 2474 N ND2 . ASN A 335 ? 0.5906 0.5954 0.5447 0.0071 0.0140 -0.0076 402 ASN A ND2 2475 N N . TRP A 336 ? 0.4833 0.4993 0.4420 0.0061 0.0132 -0.0105 403 TRP A N 2476 C CA . TRP A 336 ? 0.5053 0.5238 0.4639 0.0050 0.0128 -0.0110 403 TRP A CA 2477 C C . TRP A 336 ? 0.5282 0.5472 0.4850 0.0041 0.0113 -0.0097 403 TRP A C 2478 O O . TRP A 336 ? 0.5846 0.6030 0.5411 0.0052 0.0103 -0.0083 403 TRP A O 2479 C CB . TRP A 336 ? 0.5624 0.5835 0.5240 0.0069 0.0123 -0.0113 403 TRP A CB 2480 C CG . TRP A 336 ? 0.6070 0.6280 0.5709 0.0079 0.0137 -0.0128 403 TRP A CG 2481 C CD1 . TRP A 336 ? 0.6017 0.6220 0.5679 0.0104 0.0135 -0.0125 403 TRP A CD1 2482 C CD2 . TRP A 336 ? 0.5703 0.5916 0.5348 0.0065 0.0155 -0.0149 403 TRP A CD2 2483 N NE1 . TRP A 336 ? 0.6296 0.6499 0.5981 0.0108 0.0151 -0.0143 403 TRP A NE1 2484 C CE2 . TRP A 336 ? 0.5755 0.5964 0.5430 0.0084 0.0165 -0.0159 403 TRP A CE2 2485 C CE3 . TRP A 336 ? 0.6106 0.6323 0.5731 0.0037 0.0164 -0.0160 403 TRP A CE3 2486 C CZ2 . TRP A 336 ? 0.5910 0.6122 0.5600 0.0076 0.0185 -0.0182 403 TRP A CZ2 2487 C CZ3 . TRP A 336 ? 0.6100 0.6319 0.5735 0.0026 0.0185 -0.0182 403 TRP A CZ3 2488 C CH2 . TRP A 336 ? 0.6199 0.6416 0.5867 0.0046 0.0196 -0.0195 403 TRP A CH2 2489 N N . SER A 337 ? 0.4778 0.4977 0.4334 0.0021 0.0112 -0.0102 404 SER A N 2490 C CA . SER A 337 ? 0.4699 0.4905 0.4242 0.0013 0.0097 -0.0091 404 SER A CA 2491 C C . SER A 337 ? 0.4326 0.4556 0.3877 0.0011 0.0091 -0.0094 404 SER A C 2492 O O . SER A 337 ? 0.5483 0.5728 0.5054 0.0027 0.0092 -0.0097 404 SER A O 2493 C CB . SER A 337 ? 0.5113 0.5303 0.4631 -0.0010 0.0096 -0.0090 404 SER A CB 2494 O OG . SER A 337 ? 0.4881 0.5071 0.4389 -0.0031 0.0106 -0.0102 404 SER A OG 2495 N N . GLY A 338 ? 0.5002 0.5235 0.4537 -0.0007 0.0084 -0.0093 405 GLY A N 2496 C CA . GLY A 338 ? 0.4279 0.4532 0.3817 -0.0010 0.0076 -0.0093 405 GLY A CA 2497 C C . GLY A 338 ? 0.4417 0.4664 0.3935 -0.0028 0.0063 -0.0086 405 GLY A C 2498 O O . GLY A 338 ? 0.5451 0.5682 0.4950 -0.0045 0.0062 -0.0084 405 GLY A O 2499 N N . TYR A 339 ? 0.4431 0.4691 0.3953 -0.0026 0.0051 -0.0081 406 TYR A N 2500 C CA . TYR A 339 ? 0.4322 0.4576 0.3828 -0.0041 0.0037 -0.0073 406 TYR A CA 2501 C C . TYR A 339 ? 0.4580 0.4822 0.4085 -0.0036 0.0028 -0.0063 406 TYR A C 2502 O O . TYR A 339 ? 0.4149 0.4391 0.3666 -0.0019 0.0031 -0.0060 406 TYR A O 2503 C CB . TYR A 339 ? 0.4318 0.4587 0.3832 -0.0035 0.0026 -0.0071 406 TYR A CB 2504 C CG . TYR A 339 ? 0.4325 0.4605 0.3835 -0.0047 0.0031 -0.0080 406 TYR A CG 2505 C CD1 . TYR A 339 ? 0.4655 0.4937 0.4161 -0.0059 0.0046 -0.0092 406 TYR A CD1 2506 C CD2 . TYR A 339 ? 0.4383 0.4673 0.3895 -0.0048 0.0021 -0.0077 406 TYR A CD2 2507 C CE1 . TYR A 339 ? 0.4474 0.4770 0.3979 -0.0071 0.0052 -0.0103 406 TYR A CE1 2508 C CE2 . TYR A 339 ? 0.4394 0.4695 0.3902 -0.0061 0.0025 -0.0086 406 TYR A CE2 2509 C CZ . TYR A 339 ? 0.4679 0.4984 0.4184 -0.0073 0.0041 -0.0099 406 TYR A CZ 2510 O OH . TYR A 339 ? 0.4478 0.4795 0.3978 -0.0088 0.0045 -0.0108 406 TYR A OH 2511 N N . SER A 340 ? 0.4593 0.4825 0.4084 -0.0051 0.0015 -0.0056 407 SER A N 2512 C CA . SER A 340 ? 0.4268 0.4493 0.3764 -0.0046 0.0005 -0.0047 407 SER A CA 2513 C C . SER A 340 ? 0.4465 0.4687 0.3955 -0.0056 -0.0012 -0.0041 407 SER A C 2514 O O . SER A 340 ? 0.4742 0.4962 0.4219 -0.0071 -0.0016 -0.0042 407 SER A O 2515 C CB . SER A 340 ? 0.4449 0.4659 0.3935 -0.0056 0.0010 -0.0047 407 SER A CB 2516 O OG . SER A 340 ? 0.4951 0.5151 0.4415 -0.0079 0.0010 -0.0050 407 SER A OG 2517 N N . GLY A 341 ? 0.4764 0.4987 0.4267 -0.0047 -0.0022 -0.0034 408 GLY A N 2518 C CA . GLY A 341 ? 0.4768 0.4988 0.4273 -0.0053 -0.0041 -0.0028 408 GLY A CA 2519 C C . GLY A 341 ? 0.4870 0.5089 0.4391 -0.0046 -0.0051 -0.0022 408 GLY A C 2520 O O . GLY A 341 ? 0.4705 0.4928 0.4236 -0.0036 -0.0043 -0.0024 408 GLY A O 2521 N N . ILE A 342 ? 0.4639 0.4853 0.4164 -0.0052 -0.0069 -0.0017 409 ILE A N 2522 C CA . ILE A 342 ? 0.4912 0.5126 0.4455 -0.0048 -0.0081 -0.0013 409 ILE A CA 2523 C C . ILE A 342 ? 0.4831 0.5055 0.4398 -0.0032 -0.0087 -0.0014 409 ILE A C 2524 O O . ILE A 342 ? 0.4273 0.4499 0.3838 -0.0030 -0.0089 -0.0015 409 ILE A O 2525 C CB . ILE A 342 ? 0.4709 0.4909 0.4242 -0.0066 -0.0100 -0.0006 409 ILE A CB 2526 C CG1 . ILE A 342 ? 0.5162 0.5364 0.4716 -0.0063 -0.0111 -0.0003 409 ILE A CG1 2527 C CG2 . ILE A 342 ? 0.4412 0.4604 0.3942 -0.0071 -0.0117 -0.0001 409 ILE A CG2 2528 C CD1 . ILE A 342 ? 0.5568 0.5755 0.5109 -0.0083 -0.0131 0.0005 409 ILE A CD1 2529 N N . PHE A 343 ? 0.4435 0.4666 0.4024 -0.0022 -0.0087 -0.0016 410 PHE A N 2530 C CA . PHE A 343 ? 0.4214 0.4453 0.3828 -0.0011 -0.0095 -0.0018 410 PHE A CA 2531 C C . PHE A 343 ? 0.4396 0.4637 0.4033 -0.0011 -0.0105 -0.0017 410 PHE A C 2532 O O . PHE A 343 ? 0.4894 0.5135 0.4528 -0.0017 -0.0102 -0.0016 410 PHE A O 2533 C CB . PHE A 343 ? 0.4254 0.4507 0.3875 0.0003 -0.0081 -0.0024 410 PHE A CB 2534 C CG . PHE A 343 ? 0.4117 0.4377 0.3742 0.0009 -0.0066 -0.0027 410 PHE A CG 2535 C CD1 . PHE A 343 ? 0.4523 0.4794 0.4169 0.0018 -0.0063 -0.0033 410 PHE A CD1 2536 C CD2 . PHE A 343 ? 0.4178 0.4434 0.3783 0.0007 -0.0053 -0.0026 410 PHE A CD2 2537 C CE1 . PHE A 343 ? 0.4082 0.4357 0.3727 0.0022 -0.0048 -0.0035 410 PHE A CE1 2538 C CE2 . PHE A 343 ? 0.4431 0.4690 0.4036 0.0012 -0.0040 -0.0028 410 PHE A CE2 2539 C CZ . PHE A 343 ? 0.4642 0.4910 0.4266 0.0019 -0.0037 -0.0032 410 PHE A CZ 2540 N N . SER A 344 ? 0.4584 0.4829 0.4246 -0.0004 -0.0118 -0.0019 411 SER A N 2541 C CA . SER A 344 ? 0.4530 0.4780 0.4222 -0.0002 -0.0129 -0.0020 411 SER A CA 2542 C C . SER A 344 ? 0.4567 0.4834 0.4291 0.0012 -0.0121 -0.0030 411 SER A C 2543 O O . SER A 344 ? 0.4208 0.4479 0.3934 0.0020 -0.0115 -0.0035 411 SER A O 2544 C CB . SER A 344 ? 0.4542 0.4778 0.4241 -0.0008 -0.0156 -0.0012 411 SER A CB 2545 O OG . SER A 344 ? 0.5010 0.5230 0.4676 -0.0025 -0.0162 -0.0003 411 SER A OG 2546 N N . VAL A 345 ? 0.5097 0.5374 0.4845 0.0014 -0.0121 -0.0035 412 VAL A N 2547 C CA . VAL A 345 ? 0.5041 0.5337 0.4820 0.0025 -0.0111 -0.0047 412 VAL A CA 2548 C C . VAL A 345 ? 0.5217 0.5521 0.5038 0.0027 -0.0127 -0.0051 412 VAL A C 2549 O O . VAL A 345 ? 0.5308 0.5612 0.5134 0.0019 -0.0135 -0.0046 412 VAL A O 2550 C CB . VAL A 345 ? 0.5447 0.5751 0.5214 0.0023 -0.0089 -0.0051 412 VAL A CB 2551 C CG1 . VAL A 345 ? 0.5554 0.5877 0.5348 0.0031 -0.0076 -0.0064 412 VAL A CG1 2552 C CG2 . VAL A 345 ? 0.6277 0.6574 0.6009 0.0024 -0.0075 -0.0048 412 VAL A CG2 2553 N N . GLU A 346 ? 0.5762 0.6075 0.5616 0.0037 -0.0129 -0.0060 413 GLU A N 2554 C CA . GLU A 346 ? 0.5877 0.6200 0.5777 0.0042 -0.0143 -0.0067 413 GLU A CA 2555 C C . GLU A 346 ? 0.5763 0.6111 0.5689 0.0045 -0.0126 -0.0080 413 GLU A C 2556 O O . GLU A 346 ? 0.6345 0.6703 0.6276 0.0050 -0.0107 -0.0092 413 GLU A O 2557 C CB . GLU A 346 ? 0.6015 0.6336 0.5943 0.0053 -0.0153 -0.0073 413 GLU A CB 2558 C CG . GLU A 346 ? 0.7444 0.7773 0.7424 0.0059 -0.0174 -0.0077 413 GLU A CG 2559 C CD . GLU A 346 ? 0.8388 0.8703 0.8389 0.0068 -0.0193 -0.0077 413 GLU A CD 2560 O OE1 . GLU A 346 ? 0.9779 1.0078 0.9753 0.0068 -0.0190 -0.0073 413 GLU A OE1 2561 O OE2 . GLU A 346 ? 1.0155 1.0474 1.0202 0.0075 -0.0212 -0.0080 413 GLU A OE2 2562 N N . GLY A 347 ? 0.6126 0.6482 0.6068 0.0039 -0.0133 -0.0079 414 GLY A N 2563 C CA . GLY A 347 ? 0.6040 0.6421 0.6014 0.0040 -0.0118 -0.0094 414 GLY A CA 2564 C C . GLY A 347 ? 0.6061 0.6458 0.6095 0.0049 -0.0132 -0.0105 414 GLY A C 2565 O O . GLY A 347 ? 0.5708 0.6094 0.5756 0.0056 -0.0152 -0.0101 414 GLY A O 2566 N N . LYS A 348 ? 0.7196 0.7618 0.7266 0.0049 -0.0123 -0.0120 415 LYS A N 2567 C CA . LYS A 348 ? 0.7646 0.8088 0.7782 0.0060 -0.0135 -0.0134 415 LYS A CA 2568 C C . LYS A 348 ? 0.7313 0.7749 0.7471 0.0060 -0.0170 -0.0121 415 LYS A C 2569 O O . LYS A 348 ? 0.7470 0.7905 0.7667 0.0071 -0.0190 -0.0123 415 LYS A O 2570 C CB . LYS A 348 ? 0.9243 0.9718 0.9417 0.0059 -0.0114 -0.0156 415 LYS A CB 2571 C CG . LYS A 348 ? 1.1768 1.2247 1.1910 0.0044 -0.0096 -0.0153 415 LYS A CG 2572 C CD . LYS A 348 ? 1.4220 1.4727 1.4385 0.0040 -0.0068 -0.0175 415 LYS A CD 2573 C CE . LYS A 348 ? 1.5398 1.5898 1.5511 0.0026 -0.0044 -0.0171 415 LYS A CE 2574 N NZ . LYS A 348 ? 1.5577 1.6084 1.5691 0.0014 -0.0048 -0.0167 415 LYS A NZ 2575 N N A SER A 349 ? 0.6751 0.7179 0.6881 0.0046 -0.0178 -0.0107 416 SER A N 2576 N N B SER A 349 ? 0.7032 0.7461 0.7162 0.0046 -0.0178 -0.0107 416 SER A N 2577 C CA A SER A 349 ? 0.6571 0.6994 0.6718 0.0043 -0.0212 -0.0094 416 SER A CA 2578 C CA B SER A 349 ? 0.6919 0.7342 0.7065 0.0043 -0.0211 -0.0094 416 SER A CA 2579 C C A SER A 349 ? 0.6434 0.6824 0.6526 0.0032 -0.0228 -0.0071 416 SER A C 2580 C C B SER A 349 ? 0.6664 0.7054 0.6755 0.0032 -0.0228 -0.0071 416 SER A C 2581 O O A SER A 349 ? 0.6626 0.7005 0.6725 0.0028 -0.0259 -0.0058 416 SER A O 2582 O O B SER A 349 ? 0.6779 0.7159 0.6879 0.0028 -0.0259 -0.0058 416 SER A O 2583 C CB A SER A 349 ? 0.6470 0.6917 0.6643 0.0035 -0.0212 -0.0100 416 SER A CB 2584 C CB B SER A 349 ? 0.6962 0.7409 0.7132 0.0034 -0.0211 -0.0100 416 SER A CB 2585 O OG A SER A 349 ? 0.6197 0.6644 0.6328 0.0022 -0.0187 -0.0100 416 SER A OG 2586 O OG B SER A 349 ? 0.7104 0.7584 0.7328 0.0042 -0.0196 -0.0122 416 SER A OG 2587 N N . CYS A 350 ? 0.6474 0.6848 0.6510 0.0025 -0.0209 -0.0065 417 CYS A N 2588 C CA . CYS A 350 ? 0.6116 0.6462 0.6101 0.0013 -0.0220 -0.0046 417 CYS A CA 2589 C C . CYS A 350 ? 0.5717 0.6047 0.5656 0.0013 -0.0201 -0.0044 417 CYS A C 2590 O O . CYS A 350 ? 0.5567 0.5907 0.5507 0.0020 -0.0177 -0.0056 417 CYS A O 2591 C CB . CYS A 350 ? 0.6752 0.7098 0.6716 -0.0003 -0.0222 -0.0039 417 CYS A CB 2592 S SG . CYS A 350 ? 0.8414 0.8773 0.8356 -0.0009 -0.0184 -0.0050 417 CYS A SG 2593 N N . ILE A 351 ? 0.5244 0.5550 0.5143 0.0003 -0.0213 -0.0029 418 ILE A N 2594 C CA . ILE A 351 ? 0.5157 0.5447 0.5013 0.0001 -0.0199 -0.0026 418 ILE A CA 2595 C C . ILE A 351 ? 0.5270 0.5554 0.5085 -0.0011 -0.0183 -0.0021 418 ILE A C 2596 O O . ILE A 351 ? 0.4999 0.5272 0.4794 -0.0026 -0.0196 -0.0011 418 ILE A O 2597 C CB . ILE A 351 ? 0.5573 0.5838 0.5409 -0.0003 -0.0220 -0.0012 418 ILE A CB 2598 C CG1 . ILE A 351 ? 0.5727 0.5990 0.5603 0.0008 -0.0241 -0.0014 418 ILE A CG1 2599 C CG2 . ILE A 351 ? 0.5437 0.5690 0.5232 -0.0005 -0.0204 -0.0011 418 ILE A CG2 2600 C CD1 . ILE A 351 ? 0.6252 0.6532 0.6159 0.0025 -0.0224 -0.0030 418 ILE A CD1 2601 N N . ASN A 352 ? 0.4437 0.4727 0.4237 -0.0006 -0.0156 -0.0029 419 ASN A N 2602 C CA . ASN A 352 ? 0.4650 0.4932 0.4411 -0.0017 -0.0139 -0.0026 419 ASN A CA 2603 C C . ASN A 352 ? 0.4444 0.4709 0.4167 -0.0021 -0.0136 -0.0019 419 ASN A C 2604 O O . ASN A 352 ? 0.4658 0.4920 0.4381 -0.0013 -0.0138 -0.0019 419 ASN A O 2605 C CB . ASN A 352 ? 0.4517 0.4814 0.4285 -0.0011 -0.0114 -0.0036 419 ASN A CB 2606 C CG . ASN A 352 ? 0.5125 0.5415 0.4863 -0.0021 -0.0099 -0.0034 419 ASN A CG 2607 O OD1 . ASN A 352 ? 0.4811 0.5091 0.4532 -0.0035 -0.0108 -0.0027 419 ASN A OD1 2608 N ND2 . ASN A 352 ? 0.4857 0.5151 0.4587 -0.0016 -0.0077 -0.0040 419 ASN A ND2 2609 N N . ARG A 353 ? 0.4541 0.4795 0.4231 -0.0033 -0.0129 -0.0014 420 ARG A N 2610 C CA . ARG A 353 ? 0.4839 0.5079 0.4493 -0.0038 -0.0121 -0.0011 420 ARG A CA 2611 C C . ARG A 353 ? 0.5093 0.5335 0.4731 -0.0035 -0.0096 -0.0016 420 ARG A C 2612 O O . ARG A 353 ? 0.4939 0.5183 0.4575 -0.0039 -0.0087 -0.0018 420 ARG A O 2613 C CB . ARG A 353 ? 0.4942 0.5165 0.4568 -0.0058 -0.0133 -0.0002 420 ARG A CB 2614 C CG . ARG A 353 ? 0.4817 0.5034 0.4454 -0.0066 -0.0161 0.0005 420 ARG A CG 2615 C CD . ARG A 353 ? 0.4971 0.5184 0.4618 -0.0057 -0.0174 0.0007 420 ARG A CD 2616 N NE . ARG A 353 ? 0.4371 0.4574 0.4026 -0.0065 -0.0204 0.0017 420 ARG A NE 2617 C CZ . ARG A 353 ? 0.4415 0.4612 0.4087 -0.0059 -0.0221 0.0020 420 ARG A CZ 2618 N NH1 . ARG A 353 ? 0.4634 0.4835 0.4315 -0.0045 -0.0212 0.0014 420 ARG A NH1 2619 N NH2 . ARG A 353 ? 0.4188 0.4374 0.3867 -0.0066 -0.0250 0.0030 420 ARG A NH2 2620 N N . CYS A 354 ? 0.5042 0.5283 0.4666 -0.0028 -0.0085 -0.0017 421 CYS A N 2621 C CA . CYS A 354 ? 0.4516 0.4757 0.4126 -0.0022 -0.0063 -0.0021 421 CYS A CA 2622 C C . CYS A 354 ? 0.4612 0.4843 0.4197 -0.0026 -0.0059 -0.0019 421 CYS A C 2623 O O . CYS A 354 ? 0.4425 0.4652 0.4004 -0.0032 -0.0071 -0.0016 421 CYS A O 2624 C CB . CYS A 354 ? 0.4924 0.5178 0.4551 -0.0006 -0.0055 -0.0026 421 CYS A CB 2625 S SG . CYS A 354 ? 0.5692 0.5961 0.5353 -0.0001 -0.0056 -0.0032 421 CYS A SG 2626 N N . PHE A 355 ? 0.4296 0.4525 0.3867 -0.0023 -0.0041 -0.0022 422 PHE A N 2627 C CA . PHE A 355 ? 0.4759 0.4983 0.4312 -0.0024 -0.0035 -0.0023 422 PHE A CA 2628 C C . PHE A 355 ? 0.4721 0.4949 0.4273 -0.0011 -0.0018 -0.0026 422 PHE A C 2629 O O . PHE A 355 ? 0.4168 0.4397 0.3725 -0.0004 -0.0011 -0.0026 422 PHE A O 2630 C CB . PHE A 355 ? 0.5034 0.5245 0.4565 -0.0043 -0.0034 -0.0023 422 PHE A CB 2631 C CG . PHE A 355 ? 0.4316 0.4519 0.3840 -0.0046 -0.0021 -0.0025 422 PHE A CG 2632 C CD1 . PHE A 355 ? 0.5126 0.5328 0.4656 -0.0052 -0.0026 -0.0023 422 PHE A CD1 2633 C CD2 . PHE A 355 ? 0.4744 0.4943 0.4258 -0.0041 -0.0004 -0.0030 422 PHE A CD2 2634 C CE1 . PHE A 355 ? 0.5184 0.5377 0.4705 -0.0057 -0.0013 -0.0026 422 PHE A CE1 2635 C CE2 . PHE A 355 ? 0.4898 0.5087 0.4406 -0.0044 0.0007 -0.0032 422 PHE A CE2 2636 C CZ . PHE A 355 ? 0.4843 0.5028 0.4353 -0.0052 0.0003 -0.0030 422 PHE A CZ 2637 N N . TYR A 356 ? 0.4603 0.4834 0.4148 -0.0008 -0.0015 -0.0028 423 TYR A N 2638 C CA . TYR A 356 ? 0.4897 0.5131 0.4441 0.0004 -0.0002 -0.0030 423 TYR A CA 2639 C C . TYR A 356 ? 0.4745 0.4972 0.4276 -0.0002 0.0006 -0.0035 423 TYR A C 2640 O O . TYR A 356 ? 0.4296 0.4520 0.3818 -0.0017 0.0001 -0.0036 423 TYR A O 2641 C CB . TYR A 356 ? 0.4290 0.4538 0.3843 0.0015 -0.0006 -0.0031 423 TYR A CB 2642 C CG . TYR A 356 ? 0.4376 0.4628 0.3925 0.0008 -0.0013 -0.0033 423 TYR A CG 2643 C CD1 . TYR A 356 ? 0.4272 0.4523 0.3824 0.0000 -0.0027 -0.0030 423 TYR A CD1 2644 C CD2 . TYR A 356 ? 0.4550 0.4805 0.4093 0.0007 -0.0005 -0.0037 423 TYR A CD2 2645 C CE1 . TYR A 356 ? 0.4251 0.4502 0.3795 -0.0009 -0.0033 -0.0031 423 TYR A CE1 2646 C CE2 . TYR A 356 ? 0.4384 0.4642 0.3921 -0.0002 -0.0009 -0.0040 423 TYR A CE2 2647 C CZ . TYR A 356 ? 0.4531 0.4786 0.4066 -0.0011 -0.0023 -0.0036 423 TYR A CZ 2648 O OH . TYR A 356 ? 0.4872 0.5127 0.4397 -0.0023 -0.0027 -0.0038 423 TYR A OH 2649 N N . VAL A 357 ? 0.4875 0.5100 0.4406 0.0006 0.0018 -0.0037 424 VAL A N 2650 C CA . VAL A 357 ? 0.4811 0.5033 0.4337 0.0004 0.0029 -0.0043 424 VAL A CA 2651 C C . VAL A 357 ? 0.4955 0.5187 0.4491 0.0022 0.0033 -0.0045 424 VAL A C 2652 O O . VAL A 357 ? 0.4521 0.4752 0.4062 0.0035 0.0035 -0.0040 424 VAL A O 2653 C CB . VAL A 357 ? 0.5257 0.5462 0.4775 0.0000 0.0041 -0.0046 424 VAL A CB 2654 C CG1 . VAL A 357 ? 0.5567 0.5768 0.5080 -0.0004 0.0052 -0.0055 424 VAL A CG1 2655 C CG2 . VAL A 357 ? 0.5009 0.5203 0.4516 -0.0016 0.0035 -0.0043 424 VAL A CG2 2656 N N . GLU A 358 ? 0.4851 0.5094 0.4390 0.0019 0.0035 -0.0051 425 GLU A N 2657 C CA . GLU A 358 ? 0.4611 0.4868 0.4164 0.0034 0.0039 -0.0054 425 GLU A CA 2658 C C . GLU A 358 ? 0.5058 0.5305 0.4614 0.0039 0.0052 -0.0060 425 GLU A C 2659 O O . GLU A 358 ? 0.5552 0.5791 0.5100 0.0026 0.0060 -0.0067 425 GLU A O 2660 C CB . GLU A 358 ? 0.4696 0.4968 0.4250 0.0026 0.0036 -0.0061 425 GLU A CB 2661 C CG . GLU A 358 ? 0.4780 0.5071 0.4351 0.0040 0.0038 -0.0065 425 GLU A CG 2662 C CD . GLU A 358 ? 0.5452 0.5759 0.5025 0.0029 0.0040 -0.0075 425 GLU A CD 2663 O OE1 . GLU A 358 ? 0.4997 0.5296 0.4557 0.0010 0.0045 -0.0081 425 GLU A OE1 2664 O OE2 . GLU A 358 ? 0.4934 0.5261 0.4521 0.0038 0.0037 -0.0077 425 GLU A OE2 2665 N N . LEU A 359 ? 0.5280 0.5527 0.4846 0.0058 0.0053 -0.0056 426 LEU A N 2666 C CA . LEU A 359 ? 0.4419 0.4654 0.3992 0.0067 0.0064 -0.0061 426 LEU A CA 2667 C C . LEU A 359 ? 0.5093 0.5347 0.4686 0.0081 0.0064 -0.0066 426 LEU A C 2668 O O . LEU A 359 ? 0.4752 0.5012 0.4353 0.0097 0.0056 -0.0058 426 LEU A O 2669 C CB . LEU A 359 ? 0.4933 0.5150 0.4500 0.0077 0.0063 -0.0051 426 LEU A CB 2670 C CG . LEU A 359 ? 0.4879 0.5084 0.4430 0.0064 0.0061 -0.0045 426 LEU A CG 2671 C CD1 . LEU A 359 ? 0.4956 0.5147 0.4500 0.0072 0.0060 -0.0035 426 LEU A CD1 2672 C CD2 . LEU A 359 ? 0.4967 0.5159 0.4507 0.0046 0.0069 -0.0052 426 LEU A CD2 2673 N N . ILE A 360 ? 0.5092 0.5356 0.4694 0.0073 0.0073 -0.0079 427 ILE A N 2674 C CA . ILE A 360 ? 0.4669 0.4956 0.4293 0.0083 0.0073 -0.0087 427 ILE A CA 2675 C C . ILE A 360 ? 0.4721 0.5002 0.4366 0.0102 0.0080 -0.0090 427 ILE A C 2676 O O . ILE A 360 ? 0.5084 0.5347 0.4727 0.0098 0.0092 -0.0097 427 ILE A O 2677 C CB . ILE A 360 ? 0.5039 0.5339 0.4664 0.0065 0.0082 -0.0102 427 ILE A CB 2678 C CG1 . ILE A 360 ? 0.5279 0.5583 0.4884 0.0047 0.0074 -0.0098 427 ILE A CG1 2679 C CG2 . ILE A 360 ? 0.5014 0.5343 0.4667 0.0075 0.0084 -0.0112 427 ILE A CG2 2680 C CD1 . ILE A 360 ? 0.4768 0.5079 0.4366 0.0025 0.0082 -0.0110 427 ILE A CD1 2681 N N . ARG A 361 ? 0.4526 0.4821 0.4189 0.0121 0.0070 -0.0085 428 ARG A N 2682 C CA . ARG A 361 ? 0.4541 0.4833 0.4229 0.0141 0.0073 -0.0088 428 ARG A CA 2683 C C . ARG A 361 ? 0.4590 0.4915 0.4310 0.0151 0.0072 -0.0099 428 ARG A C 2684 O O . ARG A 361 ? 0.4637 0.4986 0.4358 0.0147 0.0063 -0.0098 428 ARG A O 2685 C CB . ARG A 361 ? 0.5126 0.5400 0.4808 0.0158 0.0061 -0.0070 428 ARG A CB 2686 C CG . ARG A 361 ? 0.4973 0.5217 0.4624 0.0149 0.0063 -0.0060 428 ARG A CG 2687 C CD . ARG A 361 ? 0.4974 0.5194 0.4621 0.0141 0.0079 -0.0068 428 ARG A CD 2688 N NE . ARG A 361 ? 0.4926 0.5136 0.4596 0.0158 0.0083 -0.0073 428 ARG A NE 2689 C CZ . ARG A 361 ? 0.5131 0.5312 0.4796 0.0170 0.0082 -0.0063 428 ARG A CZ 2690 N NH1 . ARG A 361 ? 0.5311 0.5472 0.4949 0.0166 0.0076 -0.0048 428 ARG A NH1 2691 N NH2 . ARG A 361 ? 0.5863 0.6036 0.5553 0.0186 0.0086 -0.0069 428 ARG A NH2 2692 N N . GLY A 362 ? 0.4879 0.5205 0.4628 0.0164 0.0079 -0.0109 429 GLY A N 2693 C CA . GLY A 362 ? 0.4984 0.5343 0.4770 0.0175 0.0078 -0.0120 429 GLY A CA 2694 C C . GLY A 362 ? 0.4646 0.5022 0.4443 0.0158 0.0096 -0.0143 429 GLY A C 2695 O O . GLY A 362 ? 0.5475 0.5833 0.5259 0.0144 0.0111 -0.0152 429 GLY A O 2696 N N . ARG A 363 ? 0.5195 0.5606 0.5011 0.0155 0.0094 -0.0153 430 ARG A N 2697 C CA . ARG A 363 ? 0.5770 0.6202 0.5600 0.0139 0.0112 -0.0177 430 ARG A CA 2698 C C . ARG A 363 ? 0.5797 0.6218 0.5586 0.0108 0.0119 -0.0178 430 ARG A C 2699 O O . ARG A 363 ? 0.5806 0.6220 0.5567 0.0102 0.0106 -0.0161 430 ARG A O 2700 C CB . ARG A 363 ? 0.6591 0.7064 0.6451 0.0143 0.0108 -0.0186 430 ARG A CB 2701 C CG . ARG A 363 ? 0.6557 0.7048 0.6462 0.0173 0.0098 -0.0187 430 ARG A CG 2702 C CD . ARG A 363 ? 0.7548 0.8039 0.7487 0.0180 0.0116 -0.0207 430 ARG A CD 2703 N NE . ARG A 363 ? 0.8131 0.8636 0.8118 0.0210 0.0107 -0.0208 430 ARG A NE 2704 C CZ . ARG A 363 ? 0.8189 0.8729 0.8225 0.0219 0.0113 -0.0228 430 ARG A CZ 2705 N NH1 . ARG A 363 ? 0.8643 0.9210 0.8685 0.0197 0.0130 -0.0250 430 ARG A NH1 2706 N NH2 . ARG A 363 ? 0.8553 0.9101 0.8633 0.0248 0.0101 -0.0227 430 ARG A NH2 2707 N N . PRO A 364 ? 0.5425 0.5844 0.5210 0.0088 0.0139 -0.0196 431 PRO A N 2708 C CA . PRO A 364 ? 0.6117 0.6548 0.5937 0.0092 0.0158 -0.0220 431 PRO A CA 2709 C C . PRO A 364 ? 0.6181 0.6583 0.6006 0.0103 0.0168 -0.0222 431 PRO A C 2710 O O . PRO A 364 ? 0.7098 0.7507 0.6959 0.0113 0.0181 -0.0240 431 PRO A O 2711 C CB . PRO A 364 ? 0.5202 0.5643 0.5004 0.0058 0.0175 -0.0238 431 PRO A CB 2712 C CG . PRO A 364 ? 0.6204 0.6616 0.5955 0.0039 0.0168 -0.0221 431 PRO A CG 2713 C CD . PRO A 364 ? 0.5658 0.6065 0.5403 0.0057 0.0144 -0.0196 431 PRO A CD 2714 N N . GLN A 365 ? 0.6810 0.7177 0.6601 0.0100 0.0162 -0.0205 432 GLN A N 2715 C CA . GLN A 365 ? 0.6074 0.6411 0.5865 0.0104 0.0173 -0.0209 432 GLN A CA 2716 C C . GLN A 365 ? 0.6008 0.6337 0.5832 0.0137 0.0167 -0.0204 432 GLN A C 2717 O O . GLN A 365 ? 0.5839 0.6150 0.5676 0.0143 0.0180 -0.0214 432 GLN A O 2718 C CB . GLN A 365 ? 0.6546 0.6851 0.6292 0.0090 0.0169 -0.0192 432 GLN A CB 2719 C CG . GLN A 365 ? 0.7083 0.7385 0.6792 0.0056 0.0176 -0.0198 432 GLN A CG 2720 C CD . GLN A 365 ? 0.6899 0.7203 0.6610 0.0035 0.0200 -0.0224 432 GLN A CD 2721 O OE1 . GLN A 365 ? 0.7110 0.7421 0.6799 0.0008 0.0206 -0.0231 432 GLN A OE1 2722 N NE2 . GLN A 365 ? 0.6870 0.7163 0.6605 0.0046 0.0215 -0.0237 432 GLN A NE2 2723 N N . GLU A 366 ? 0.6039 0.6377 0.5871 0.0156 0.0146 -0.0186 433 GLU A N 2724 C CA . GLU A 366 ? 0.5899 0.6224 0.5755 0.0186 0.0134 -0.0175 433 GLU A CA 2725 C C . GLU A 366 ? 0.6525 0.6887 0.6423 0.0206 0.0124 -0.0179 433 GLU A C 2726 O O . GLU A 366 ? 0.7242 0.7622 0.7135 0.0208 0.0106 -0.0166 433 GLU A O 2727 C CB . GLU A 366 ? 0.5695 0.5994 0.5516 0.0191 0.0117 -0.0148 433 GLU A CB 2728 C CG . GLU A 366 ? 0.6224 0.6489 0.6008 0.0173 0.0127 -0.0144 433 GLU A CG 2729 C CD . GLU A 366 ? 0.5807 0.6048 0.5557 0.0174 0.0111 -0.0119 433 GLU A CD 2730 O OE1 . GLU A 366 ? 0.5877 0.6087 0.5619 0.0182 0.0111 -0.0111 433 GLU A OE1 2731 O OE2 . GLU A 366 ? 0.5984 0.6239 0.5715 0.0165 0.0100 -0.0109 433 GLU A OE2 2732 N N . THR A 367 ? 0.6625 0.6998 0.6568 0.0219 0.0134 -0.0198 434 THR A N 2733 C CA . THR A 367 ? 0.6553 0.6966 0.6543 0.0235 0.0127 -0.0208 434 THR A CA 2734 C C . THR A 367 ? 0.6178 0.6589 0.6199 0.0268 0.0106 -0.0194 434 THR A C 2735 O O . THR A 367 ? 0.6956 0.7402 0.7017 0.0283 0.0097 -0.0200 434 THR A O 2736 C CB . THR A 367 ? 0.7583 0.8019 0.7612 0.0229 0.0152 -0.0241 434 THR A CB 2737 O OG1 . THR A 367 ? 0.6462 0.6867 0.6505 0.0240 0.0165 -0.0250 434 THR A OG1 2738 C CG2 . THR A 367 ? 0.7480 0.7924 0.7477 0.0193 0.0171 -0.0255 434 THR A CG2 2739 N N . ARG A 368 ? 0.5824 0.6195 0.5826 0.0280 0.0096 -0.0174 435 ARG A N 2740 C CA . ARG A 368 ? 0.5793 0.6160 0.5814 0.0309 0.0071 -0.0156 435 ARG A CA 2741 C C . ARG A 368 ? 0.6365 0.6759 0.6374 0.0308 0.0049 -0.0139 435 ARG A C 2742 O O . ARG A 368 ? 0.6423 0.6833 0.6461 0.0330 0.0029 -0.0131 435 ARG A O 2743 C CB . ARG A 368 ? 0.6657 0.6973 0.6651 0.0317 0.0065 -0.0135 435 ARG A CB 2744 C CG . ARG A 368 ? 0.7474 0.7782 0.7471 0.0340 0.0035 -0.0110 435 ARG A CG 2745 C CD . ARG A 368 ? 0.7426 0.7681 0.7396 0.0349 0.0027 -0.0089 435 ARG A CD 2746 N NE . ARG A 368 ? 0.7622 0.7875 0.7603 0.0372 -0.0001 -0.0068 435 ARG A NE 2747 C CZ . ARG A 368 ? 0.8133 0.8388 0.8082 0.0369 -0.0021 -0.0046 435 ARG A CZ 2748 N NH1 . ARG A 368 ? 0.7354 0.7611 0.7258 0.0345 -0.0016 -0.0040 435 ARG A NH1 2749 N NH2 . ARG A 368 ? 0.7635 0.7887 0.7597 0.0390 -0.0047 -0.0028 435 ARG A NH2 2750 N N . VAL A 369 ? 0.5653 0.6050 0.5620 0.0284 0.0051 -0.0134 436 VAL A N 2751 C CA . VAL A 369 ? 0.5316 0.5738 0.5270 0.0281 0.0033 -0.0121 436 VAL A CA 2752 C C . VAL A 369 ? 0.5219 0.5682 0.5184 0.0264 0.0042 -0.0140 436 VAL A C 2753 O O . VAL A 369 ? 0.5900 0.6368 0.5873 0.0250 0.0064 -0.0160 436 VAL A O 2754 C CB . VAL A 369 ? 0.5398 0.5794 0.5298 0.0268 0.0026 -0.0100 436 VAL A CB 2755 C CG1 . VAL A 369 ? 0.5411 0.5765 0.5296 0.0282 0.0017 -0.0081 436 VAL A CG1 2756 C CG2 . VAL A 369 ? 0.5101 0.5487 0.4969 0.0240 0.0045 -0.0109 436 VAL A CG2 2757 N N . TRP A 370 ? 0.5460 0.5951 0.5425 0.0264 0.0026 -0.0133 437 TRP A N 2758 C CA . TRP A 370 ? 0.5736 0.6267 0.5711 0.0248 0.0033 -0.0148 437 TRP A CA 2759 C C . TRP A 370 ? 0.4898 0.5425 0.4827 0.0225 0.0031 -0.0140 437 TRP A C 2760 O O . TRP A 370 ? 0.4657 0.5211 0.4586 0.0208 0.0037 -0.0152 437 TRP A O 2761 C CB . TRP A 370 ? 0.5734 0.6305 0.5750 0.0265 0.0015 -0.0150 437 TRP A CB 2762 C CG . TRP A 370 ? 0.6659 0.7243 0.6730 0.0286 0.0019 -0.0164 437 TRP A CG 2763 C CD1 . TRP A 370 ? 0.7489 0.8054 0.7580 0.0313 0.0005 -0.0152 437 TRP A CD1 2764 C CD2 . TRP A 370 ? 0.6593 0.7208 0.6707 0.0283 0.0038 -0.0193 437 TRP A CD2 2765 N NE1 . TRP A 370 ? 0.7354 0.7937 0.7501 0.0329 0.0013 -0.0172 437 TRP A NE1 2766 C CE2 . TRP A 370 ? 0.7641 0.8257 0.7805 0.0310 0.0034 -0.0199 437 TRP A CE2 2767 C CE3 . TRP A 370 ? 0.7028 0.7671 0.7144 0.0258 0.0057 -0.0215 437 TRP A CE3 2768 C CZ2 . TRP A 370 ? 0.7309 0.7955 0.7528 0.0314 0.0051 -0.0228 437 TRP A CZ2 2769 C CZ3 . TRP A 370 ? 0.7525 0.8198 0.7690 0.0260 0.0075 -0.0244 437 TRP A CZ3 2770 C CH2 . TRP A 370 ? 0.7820 0.8494 0.8038 0.0288 0.0073 -0.0251 437 TRP A CH2 2771 N N . TRP A 371 ? 0.4375 0.4868 0.4266 0.0223 0.0024 -0.0120 438 TRP A N 2772 C CA . TRP A 371 ? 0.4680 0.5167 0.4529 0.0203 0.0022 -0.0112 438 TRP A CA 2773 C C . TRP A 371 ? 0.4705 0.5165 0.4526 0.0183 0.0039 -0.0116 438 TRP A C 2774 O O . TRP A 371 ? 0.5025 0.5467 0.4852 0.0185 0.0052 -0.0124 438 TRP A O 2775 C CB . TRP A 371 ? 0.4629 0.5100 0.4454 0.0211 0.0003 -0.0089 438 TRP A CB 2776 C CG . TRP A 371 ? 0.4970 0.5410 0.4790 0.0227 -0.0001 -0.0076 438 TRP A CG 2777 C CD1 . TRP A 371 ? 0.4789 0.5228 0.4629 0.0249 -0.0015 -0.0067 438 TRP A CD1 2778 C CD2 . TRP A 371 ? 0.4843 0.5245 0.4636 0.0220 0.0008 -0.0070 438 TRP A CD2 2779 N NE1 . TRP A 371 ? 0.4842 0.5242 0.4668 0.0257 -0.0014 -0.0056 438 TRP A NE1 2780 C CE2 . TRP A 371 ? 0.4556 0.4934 0.4353 0.0239 0.0000 -0.0058 438 TRP A CE2 2781 C CE3 . TRP A 371 ? 0.4793 0.5179 0.4558 0.0200 0.0020 -0.0073 438 TRP A CE3 2782 C CZ2 . TRP A 371 ? 0.4957 0.5297 0.4732 0.0237 0.0006 -0.0051 438 TRP A CZ2 2783 C CZ3 . TRP A 371 ? 0.4853 0.5203 0.4598 0.0199 0.0026 -0.0066 438 TRP A CZ3 2784 C CH2 . TRP A 371 ? 0.4893 0.5220 0.4642 0.0217 0.0020 -0.0055 438 TRP A CH2 2785 N N . THR A 372 ? 0.4897 0.5353 0.4686 0.0164 0.0038 -0.0112 439 THR A N 2786 C CA . THR A 372 ? 0.4712 0.5141 0.4469 0.0146 0.0048 -0.0111 439 THR A CA 2787 C C . THR A 372 ? 0.4347 0.4764 0.4074 0.0142 0.0035 -0.0094 439 THR A C 2788 O O . THR A 372 ? 0.4900 0.5334 0.4624 0.0140 0.0025 -0.0090 439 THR A O 2789 C CB . THR A 372 ? 0.4907 0.5349 0.4659 0.0122 0.0060 -0.0127 439 THR A CB 2790 O OG1 . THR A 372 ? 0.5138 0.5595 0.4919 0.0122 0.0075 -0.0146 439 THR A OG1 2791 C CG2 . THR A 372 ? 0.4583 0.4998 0.4302 0.0102 0.0067 -0.0123 439 THR A CG2 2792 N N . SER A 373 ? 0.4438 0.4824 0.4143 0.0140 0.0037 -0.0084 440 SER A N 2793 C CA . SER A 373 ? 0.4781 0.5155 0.4460 0.0136 0.0027 -0.0070 440 SER A CA 2794 C C . SER A 373 ? 0.4613 0.4959 0.4270 0.0125 0.0034 -0.0066 440 SER A C 2795 O O . SER A 373 ? 0.5654 0.5990 0.5313 0.0119 0.0046 -0.0075 440 SER A O 2796 C CB . SER A 373 ? 0.4390 0.4764 0.4071 0.0154 0.0013 -0.0056 440 SER A CB 2797 O OG . SER A 373 ? 0.4843 0.5214 0.4502 0.0148 0.0005 -0.0046 440 SER A OG 2798 N N . ASN A 374 ? 0.4608 0.4943 0.4245 0.0121 0.0027 -0.0055 441 ASN A N 2799 C CA . ASN A 374 ? 0.4874 0.5183 0.4492 0.0111 0.0033 -0.0052 441 ASN A CA 2800 C C . ASN A 374 ? 0.4608 0.4904 0.4212 0.0115 0.0027 -0.0039 441 ASN A C 2801 O O . ASN A 374 ? 0.3907 0.4213 0.3509 0.0121 0.0017 -0.0034 441 ASN A O 2802 C CB . ASN A 374 ? 0.4608 0.4920 0.4216 0.0091 0.0035 -0.0057 441 ASN A CB 2803 C CG . ASN A 374 ? 0.5014 0.5334 0.4614 0.0088 0.0023 -0.0052 441 ASN A CG 2804 O OD1 . ASN A 374 ? 0.5454 0.5794 0.5061 0.0089 0.0017 -0.0054 441 ASN A OD1 2805 N ND2 . ASN A 374 ? 0.4917 0.5222 0.4504 0.0083 0.0021 -0.0045 441 ASN A ND2 2806 N N . SER A 375 ? 0.4312 0.4584 0.3902 0.0110 0.0032 -0.0036 442 SER A N 2807 C CA . SER A 375 ? 0.4697 0.4959 0.4272 0.0107 0.0028 -0.0027 442 SER A CA 2808 C C . SER A 375 ? 0.4847 0.5104 0.4414 0.0089 0.0031 -0.0031 442 SER A C 2809 O O . SER A 375 ? 0.5112 0.5372 0.4681 0.0080 0.0034 -0.0038 442 SER A O 2810 C CB . SER A 375 ? 0.5153 0.5393 0.4720 0.0115 0.0031 -0.0019 442 SER A CB 2811 O OG . SER A 375 ? 0.5248 0.5468 0.4810 0.0109 0.0041 -0.0022 442 SER A OG 2812 N N . ILE A 376 ? 0.4913 0.5162 0.4470 0.0085 0.0028 -0.0025 443 ILE A N 2813 C CA . ILE A 376 ? 0.5255 0.5498 0.4807 0.0070 0.0029 -0.0028 443 ILE A CA 2814 C C . ILE A 376 ? 0.4554 0.4780 0.4097 0.0066 0.0033 -0.0023 443 ILE A C 2815 O O . ILE A 376 ? 0.4425 0.4645 0.3963 0.0074 0.0034 -0.0018 443 ILE A O 2816 C CB . ILE A 376 ? 0.5790 0.6047 0.5345 0.0064 0.0019 -0.0028 443 ILE A CB 2817 C CG1 . ILE A 376 ? 0.6509 0.6772 0.6065 0.0072 0.0015 -0.0024 443 ILE A CG1 2818 C CG2 . ILE A 376 ? 0.6778 0.7051 0.6340 0.0064 0.0015 -0.0033 443 ILE A CG2 2819 C CD1 . ILE A 376 ? 0.7185 0.7458 0.6746 0.0066 0.0007 -0.0026 443 ILE A CD1 2820 N N . VAL A 377 ? 0.4240 0.4460 0.3780 0.0053 0.0034 -0.0026 444 VAL A N 2821 C CA . VAL A 377 ? 0.4513 0.4721 0.4047 0.0046 0.0037 -0.0024 444 VAL A CA 2822 C C . VAL A 377 ? 0.4677 0.4893 0.4216 0.0033 0.0028 -0.0026 444 VAL A C 2823 O O . VAL A 377 ? 0.4284 0.4505 0.3824 0.0026 0.0024 -0.0029 444 VAL A O 2824 C CB . VAL A 377 ? 0.4968 0.5157 0.4494 0.0042 0.0047 -0.0025 444 VAL A CB 2825 C CG1 . VAL A 377 ? 0.4656 0.4842 0.4179 0.0030 0.0050 -0.0032 444 VAL A CG1 2826 C CG2 . VAL A 377 ? 0.5330 0.5507 0.4849 0.0035 0.0051 -0.0023 444 VAL A CG2 2827 N N . VAL A 378 ? 0.4624 0.4841 0.4167 0.0030 0.0026 -0.0024 445 VAL A N 2828 C CA . VAL A 378 ? 0.4692 0.4919 0.4246 0.0022 0.0016 -0.0026 445 VAL A CA 2829 C C . VAL A 378 ? 0.4797 0.5019 0.4353 0.0013 0.0017 -0.0026 445 VAL A C 2830 O O . VAL A 378 ? 0.4439 0.4656 0.3992 0.0016 0.0026 -0.0025 445 VAL A O 2831 C CB . VAL A 378 ? 0.4765 0.5007 0.4330 0.0030 0.0010 -0.0026 445 VAL A CB 2832 C CG1 . VAL A 378 ? 0.4674 0.4923 0.4253 0.0024 -0.0002 -0.0028 445 VAL A CG1 2833 C CG2 . VAL A 378 ? 0.4892 0.5140 0.4455 0.0040 0.0009 -0.0026 445 VAL A CG2 2834 N N . PHE A 379 ? 0.4640 0.4862 0.4200 0.0002 0.0008 -0.0027 446 PHE A N 2835 C CA . PHE A 379 ? 0.4787 0.5007 0.4352 -0.0008 0.0007 -0.0028 446 PHE A CA 2836 C C . PHE A 379 ? 0.4867 0.5098 0.4450 -0.0012 -0.0008 -0.0028 446 PHE A C 2837 O O . PHE A 379 ? 0.5072 0.5306 0.4656 -0.0012 -0.0019 -0.0026 446 PHE A O 2838 C CB . PHE A 379 ? 0.4923 0.5128 0.4471 -0.0021 0.0010 -0.0028 446 PHE A CB 2839 C CG . PHE A 379 ? 0.5142 0.5332 0.4676 -0.0020 0.0026 -0.0028 446 PHE A CG 2840 C CD1 . PHE A 379 ? 0.5286 0.5470 0.4812 -0.0008 0.0035 -0.0028 446 PHE A CD1 2841 C CD2 . PHE A 379 ? 0.5522 0.5703 0.5051 -0.0031 0.0031 -0.0030 446 PHE A CD2 2842 C CE1 . PHE A 379 ? 0.5228 0.5396 0.4743 -0.0005 0.0049 -0.0028 446 PHE A CE1 2843 C CE2 . PHE A 379 ? 0.5937 0.6102 0.5454 -0.0030 0.0046 -0.0030 446 PHE A CE2 2844 C CZ . PHE A 379 ? 0.6295 0.6452 0.5805 -0.0017 0.0054 -0.0029 446 PHE A CZ 2845 N N . CYS A 380 ? 0.4744 0.4981 0.4341 -0.0016 -0.0011 -0.0030 447 CYS A N 2846 C CA . CYS A 380 ? 0.4913 0.5163 0.4535 -0.0019 -0.0027 -0.0031 447 CYS A CA 2847 C C . CYS A 380 ? 0.4587 0.4836 0.4214 -0.0032 -0.0033 -0.0030 447 CYS A C 2848 O O . CYS A 380 ? 0.4433 0.4677 0.4052 -0.0038 -0.0022 -0.0032 447 CYS A O 2849 C CB . CYS A 380 ? 0.5568 0.5833 0.5212 -0.0008 -0.0024 -0.0036 447 CYS A CB 2850 S SG . CYS A 380 ? 0.6437 0.6708 0.6085 0.0004 -0.0027 -0.0037 447 CYS A SG 2851 N N . GLY A 381 ? 0.4412 0.4665 0.4052 -0.0038 -0.0053 -0.0028 448 GLY A N 2852 C CA . GLY A 381 ? 0.4857 0.5112 0.4506 -0.0051 -0.0063 -0.0027 448 GLY A CA 2853 C C . GLY A 381 ? 0.4971 0.5241 0.4644 -0.0048 -0.0057 -0.0034 448 GLY A C 2854 O O . GLY A 381 ? 0.4109 0.4393 0.3805 -0.0037 -0.0053 -0.0040 448 GLY A O 2855 N N . THR A 382 ? 0.4758 0.5026 0.4427 -0.0062 -0.0055 -0.0035 449 THR A N 2856 C CA . THR A 382 ? 0.4943 0.5227 0.4636 -0.0064 -0.0050 -0.0042 449 THR A CA 2857 C C . THR A 382 ? 0.5179 0.5469 0.4884 -0.0078 -0.0067 -0.0040 449 THR A C 2858 O O . THR A 382 ? 0.5382 0.5657 0.5062 -0.0091 -0.0074 -0.0034 449 THR A O 2859 C CB . THR A 382 ? 0.4970 0.5244 0.4641 -0.0066 -0.0025 -0.0045 449 THR A CB 2860 O OG1 . THR A 382 ? 0.4906 0.5197 0.4600 -0.0070 -0.0018 -0.0053 449 THR A OG1 2861 C CG2 . THR A 382 ? 0.5033 0.5287 0.4671 -0.0080 -0.0020 -0.0041 449 THR A CG2 2862 N N . SER A 383 ? 0.4710 0.5022 0.4453 -0.0077 -0.0072 -0.0047 450 SER A N 2863 C CA . SER A 383 ? 0.5567 0.5888 0.5324 -0.0091 -0.0086 -0.0047 450 SER A CA 2864 C C . SER A 383 ? 0.5864 0.6191 0.5620 -0.0100 -0.0067 -0.0055 450 SER A C 2865 O O . SER A 383 ? 0.6309 0.6649 0.6082 -0.0113 -0.0076 -0.0057 450 SER A O 2866 C CB . SER A 383 ? 0.5648 0.5990 0.5452 -0.0085 -0.0110 -0.0048 450 SER A CB 2867 O OG . SER A 383 ? 0.6588 0.6953 0.6427 -0.0074 -0.0099 -0.0061 450 SER A OG 2868 N N . GLY A 384 ? 0.5615 0.5933 0.5351 -0.0097 -0.0042 -0.0058 451 GLY A N 2869 C CA . GLY A 384 ? 0.5711 0.6027 0.5437 -0.0108 -0.0023 -0.0064 451 GLY A CA 2870 C C . GLY A 384 ? 0.5955 0.6243 0.5637 -0.0121 -0.0013 -0.0059 451 GLY A C 2871 O O . GLY A 384 ? 0.5756 0.6033 0.5422 -0.0128 -0.0026 -0.0052 451 GLY A O 2872 N N . THR A 385 ? 0.5550 0.5827 0.5213 -0.0125 0.0008 -0.0063 452 THR A N 2873 C CA . THR A 385 ? 0.5385 0.5632 0.5008 -0.0135 0.0020 -0.0059 452 THR A CA 2874 C C . THR A 385 ? 0.5224 0.5450 0.4821 -0.0122 0.0036 -0.0055 452 THR A C 2875 O O . THR A 385 ? 0.5528 0.5763 0.5137 -0.0108 0.0040 -0.0056 452 THR A O 2876 C CB . THR A 385 ? 0.5157 0.5402 0.4774 -0.0153 0.0032 -0.0064 452 THR A CB 2877 O OG1 . THR A 385 ? 0.5084 0.5337 0.4710 -0.0149 0.0048 -0.0070 452 THR A OG1 2878 C CG2 . THR A 385 ? 0.5586 0.5854 0.5229 -0.0166 0.0014 -0.0067 452 THR A CG2 2879 N N . TYR A 386 ? 0.5205 0.5404 0.4770 -0.0127 0.0045 -0.0052 453 TYR A N 2880 C CA . TYR A 386 ? 0.5122 0.5300 0.4664 -0.0114 0.0058 -0.0049 453 TYR A CA 2881 C C . TYR A 386 ? 0.5334 0.5482 0.4845 -0.0123 0.0071 -0.0048 453 TYR A C 2882 O O . TYR A 386 ? 0.5276 0.5420 0.4781 -0.0140 0.0070 -0.0051 453 TYR A O 2883 C CB . TYR A 386 ? 0.4711 0.4893 0.4256 -0.0101 0.0046 -0.0044 453 TYR A CB 2884 C CG . TYR A 386 ? 0.4866 0.5048 0.4408 -0.0112 0.0032 -0.0043 453 TYR A CG 2885 C CD1 . TYR A 386 ? 0.5549 0.5709 0.5063 -0.0120 0.0038 -0.0042 453 TYR A CD1 2886 C CD2 . TYR A 386 ? 0.4737 0.4940 0.4302 -0.0116 0.0011 -0.0042 453 TYR A CD2 2887 C CE1 . TYR A 386 ? 0.5610 0.5769 0.5116 -0.0133 0.0026 -0.0041 453 TYR A CE1 2888 C CE2 . TYR A 386 ? 0.4660 0.4860 0.4217 -0.0128 -0.0003 -0.0039 453 TYR A CE2 2889 C CZ . TYR A 386 ? 0.4880 0.5058 0.4405 -0.0138 0.0004 -0.0038 453 TYR A CZ 2890 O OH . TYR A 386 ? 0.5282 0.5456 0.4795 -0.0154 -0.0009 -0.0036 453 TYR A OH 2891 N N . GLY A 387 ? 0.5107 0.5233 0.4600 -0.0111 0.0084 -0.0046 454 GLY A N 2892 C CA . GLY A 387 ? 0.4998 0.5094 0.4465 -0.0117 0.0098 -0.0046 454 GLY A CA 2893 C C . GLY A 387 ? 0.4875 0.4960 0.4332 -0.0109 0.0097 -0.0045 454 GLY A C 2894 O O . GLY A 387 ? 0.4630 0.4728 0.4093 -0.0111 0.0084 -0.0045 454 GLY A O 2895 N N . THR A 388 ? 0.4557 0.4615 0.3997 -0.0101 0.0110 -0.0045 455 THR A N 2896 C CA . THR A 388 ? 0.5138 0.5186 0.4572 -0.0092 0.0113 -0.0046 455 THR A CA 2897 C C . THR A 388 ? 0.4833 0.4870 0.4265 -0.0071 0.0119 -0.0041 455 THR A C 2898 O O . THR A 388 ? 0.4592 0.4618 0.4020 -0.0066 0.0124 -0.0037 455 THR A O 2899 C CB . THR A 388 ? 0.5379 0.5401 0.4794 -0.0105 0.0125 -0.0053 455 THR A CB 2900 O OG1 . THR A 388 ? 0.5426 0.5424 0.4829 -0.0110 0.0138 -0.0053 455 THR A OG1 2901 C CG2 . THR A 388 ? 0.5373 0.5405 0.4785 -0.0127 0.0118 -0.0058 455 THR A CG2 2902 N N . GLY A 389 ? 0.5085 0.5122 0.4520 -0.0060 0.0117 -0.0042 456 GLY A N 2903 C CA . GLY A 389 ? 0.4807 0.4834 0.4243 -0.0040 0.0122 -0.0038 456 GLY A CA 2904 C C . GLY A 389 ? 0.4756 0.4791 0.4200 -0.0031 0.0119 -0.0042 456 GLY A C 2905 O O . GLY A 389 ? 0.5034 0.5076 0.4477 -0.0042 0.0118 -0.0048 456 GLY A O 2906 N N . SER A 390 ? 0.4891 0.4923 0.4341 -0.0011 0.0119 -0.0038 457 SER A N 2907 C CA . SER A 390 ? 0.5285 0.5329 0.4746 0.0000 0.0116 -0.0041 457 SER A CA 2908 C C . SER A 390 ? 0.5082 0.5136 0.4552 0.0018 0.0109 -0.0032 457 SER A C 2909 O O . SER A 390 ? 0.5319 0.5357 0.4783 0.0027 0.0111 -0.0026 457 SER A O 2910 C CB . SER A 390 ? 0.5127 0.5152 0.4587 0.0001 0.0129 -0.0050 457 SER A CB 2911 O OG . SER A 390 ? 0.5140 0.5179 0.4615 0.0014 0.0127 -0.0054 457 SER A OG 2912 N N . TRP A 391 ? 0.5167 0.5246 0.4647 0.0022 0.0099 -0.0032 458 TRP A N 2913 C CA . TRP A 391 ? 0.5021 0.5115 0.4510 0.0038 0.0090 -0.0025 458 TRP A CA 2914 C C . TRP A 391 ? 0.4024 0.4132 0.3526 0.0050 0.0086 -0.0028 458 TRP A C 2915 O O . TRP A 391 ? 0.4128 0.4257 0.3636 0.0049 0.0078 -0.0029 458 TRP A O 2916 C CB . TRP A 391 ? 0.4601 0.4713 0.4091 0.0032 0.0081 -0.0022 458 TRP A CB 2917 C CG . TRP A 391 ? 0.4514 0.4616 0.3995 0.0021 0.0085 -0.0019 458 TRP A CG 2918 C CD1 . TRP A 391 ? 0.4563 0.4659 0.4038 0.0025 0.0086 -0.0013 458 TRP A CD1 2919 C CD2 . TRP A 391 ? 0.4089 0.4188 0.3567 0.0004 0.0087 -0.0024 458 TRP A CD2 2920 N NE1 . TRP A 391 ? 0.4350 0.4442 0.3819 0.0011 0.0090 -0.0014 458 TRP A NE1 2921 C CE2 . TRP A 391 ? 0.4270 0.4364 0.3742 -0.0001 0.0090 -0.0021 458 TRP A CE2 2922 C CE3 . TRP A 391 ? 0.3885 0.3986 0.3363 -0.0009 0.0086 -0.0030 458 TRP A CE3 2923 C CZ2 . TRP A 391 ? 0.4272 0.4365 0.3742 -0.0018 0.0093 -0.0024 458 TRP A CZ2 2924 C CZ3 . TRP A 391 ? 0.4274 0.4373 0.3748 -0.0026 0.0087 -0.0032 458 TRP A CZ3 2925 C CH2 . TRP A 391 ? 0.4395 0.4490 0.3866 -0.0029 0.0090 -0.0030 458 TRP A CH2 2926 N N . PRO A 392 ? 0.4497 0.4592 0.4003 0.0060 0.0093 -0.0032 459 PRO A N 2927 C CA . PRO A 392 ? 0.4470 0.4582 0.3993 0.0070 0.0092 -0.0037 459 PRO A CA 2928 C C . PRO A 392 ? 0.4869 0.4993 0.4400 0.0088 0.0081 -0.0028 459 PRO A C 2929 O O . PRO A 392 ? 0.4635 0.4752 0.4156 0.0090 0.0076 -0.0018 459 PRO A O 2930 C CB . PRO A 392 ? 0.4253 0.4346 0.3782 0.0075 0.0104 -0.0045 459 PRO A CB 2931 C CG . PRO A 392 ? 0.4448 0.4512 0.3965 0.0079 0.0107 -0.0036 459 PRO A CG 2932 C CD . PRO A 392 ? 0.4795 0.4860 0.4295 0.0064 0.0103 -0.0031 459 PRO A CD 2933 N N . ASP A 393 ? 0.5285 0.5425 0.4833 0.0098 0.0078 -0.0033 460 ASP A N 2934 C CA . ASP A 393 ? 0.5555 0.5710 0.5111 0.0114 0.0067 -0.0025 460 ASP A CA 2935 C C . ASP A 393 ? 0.5327 0.5460 0.4878 0.0127 0.0064 -0.0014 460 ASP A C 2936 O O . ASP A 393 ? 0.5426 0.5561 0.4967 0.0132 0.0055 -0.0003 460 ASP A O 2937 C CB . ASP A 393 ? 0.6158 0.6333 0.5736 0.0122 0.0066 -0.0034 460 ASP A CB 2938 C CG . ASP A 393 ? 0.7512 0.7701 0.7102 0.0139 0.0055 -0.0027 460 ASP A CG 2939 O OD1 . ASP A 393 ? 0.6790 0.6997 0.6376 0.0137 0.0045 -0.0022 460 ASP A OD1 2940 O OD2 . ASP A 393 ? 0.8025 0.8205 0.7628 0.0155 0.0054 -0.0026 460 ASP A OD2 2941 N N . GLY A 394 ? 0.5024 0.5134 0.4579 0.0134 0.0072 -0.0016 461 GLY A N 2942 C CA . GLY A 394 ? 0.4806 0.4887 0.4353 0.0145 0.0070 -0.0005 461 GLY A CA 2943 C C . GLY A 394 ? 0.5004 0.5087 0.4567 0.0166 0.0059 0.0000 461 GLY A C 2944 O O . GLY A 394 ? 0.5097 0.5155 0.4652 0.0175 0.0055 0.0011 461 GLY A O 2945 N N . ALA A 395 ? 0.5454 0.5568 0.5040 0.0174 0.0054 -0.0006 462 ALA A N 2946 C CA . ALA A 395 ? 0.5558 0.5677 0.5163 0.0195 0.0042 -0.0001 462 ALA A CA 2947 C C . ALA A 395 ? 0.5383 0.5488 0.5012 0.0207 0.0050 -0.0010 462 ALA A C 2948 O O . ALA A 395 ? 0.6233 0.6341 0.5872 0.0198 0.0065 -0.0026 462 ALA A O 2949 C CB . ALA A 395 ? 0.5557 0.5715 0.5179 0.0198 0.0034 -0.0005 462 ALA A CB 2950 N N . ASN A 396 ? 0.5434 0.5523 0.5072 0.0226 0.0040 0.0000 463 ASN A N 2951 C CA . ASN A 396 ? 0.5488 0.5567 0.5157 0.0242 0.0044 -0.0008 463 ASN A CA 2952 C C . ASN A 396 ? 0.5255 0.5371 0.4961 0.0257 0.0035 -0.0016 463 ASN A C 2953 O O . ASN A 396 ? 0.4756 0.4883 0.4466 0.0269 0.0016 -0.0003 463 ASN A O 2954 C CB . ASN A 396 ? 0.5398 0.5437 0.5057 0.0256 0.0035 0.0007 463 ASN A CB 2955 C CG . ASN A 396 ? 0.5874 0.5897 0.5568 0.0275 0.0039 0.0000 463 ASN A CG 2956 O OD1 . ASN A 396 ? 0.6694 0.6743 0.6426 0.0284 0.0042 -0.0016 463 ASN A OD1 2957 N ND2 . ASN A 396 ? 0.6448 0.6427 0.6128 0.0280 0.0038 0.0009 463 ASN A ND2 2958 N N . ILE A 397 ? 0.4853 0.4989 0.4587 0.0255 0.0049 -0.0037 464 ILE A N 2959 C CA . ILE A 397 ? 0.4991 0.5168 0.4762 0.0264 0.0045 -0.0048 464 ILE A CA 2960 C C . ILE A 397 ? 0.4838 0.5013 0.4639 0.0292 0.0028 -0.0040 464 ILE A C 2961 O O . ILE A 397 ? 0.4757 0.4965 0.4579 0.0301 0.0015 -0.0040 464 ILE A O 2962 C CB . ILE A 397 ? 0.5287 0.5482 0.5079 0.0254 0.0066 -0.0074 464 ILE A CB 2963 C CG1 . ILE A 397 ? 0.5412 0.5654 0.5231 0.0255 0.0062 -0.0086 464 ILE A CG1 2964 C CG2 . ILE A 397 ? 0.5587 0.5761 0.5406 0.0266 0.0078 -0.0087 464 ILE A CG2 2965 C CD1 . ILE A 397 ? 0.5339 0.5602 0.5132 0.0238 0.0055 -0.0079 464 ILE A CD1 2966 N N . ASN A 398 ? 0.4646 0.4783 0.4449 0.0305 0.0027 -0.0033 465 ASN A N 2967 C CA . ASN A 398 ? 0.5483 0.5613 0.5314 0.0332 0.0008 -0.0024 465 ASN A CA 2968 C C . ASN A 398 ? 0.6206 0.6332 0.6015 0.0338 -0.0017 0.0001 465 ASN A C 2969 O O . ASN A 398 ? 0.5853 0.5979 0.5686 0.0360 -0.0036 0.0010 465 ASN A O 2970 C CB . ASN A 398 ? 0.5885 0.5969 0.5724 0.0344 0.0014 -0.0023 465 ASN A CB 2971 C CG . ASN A 398 ? 0.6516 0.6603 0.6383 0.0341 0.0040 -0.0052 465 ASN A CG 2972 O OD1 . ASN A 398 ? 0.8119 0.8174 0.7967 0.0329 0.0057 -0.0056 465 ASN A OD1 2973 N ND2 . ASN A 398 ? 0.6142 0.6270 0.6053 0.0347 0.0045 -0.0072 465 ASN A ND2 2974 N N . PHE A 399 ? 0.6399 0.6519 0.6161 0.0319 -0.0018 0.0013 466 PHE A N 2975 C CA . PHE A 399 ? 0.6080 0.6194 0.5814 0.0321 -0.0040 0.0037 466 PHE A CA 2976 C C . PHE A 399 ? 0.5994 0.6155 0.5734 0.0316 -0.0049 0.0035 466 PHE A C 2977 O O . PHE A 399 ? 0.6554 0.6717 0.6272 0.0315 -0.0067 0.0051 466 PHE A O 2978 C CB . PHE A 399 ? 0.6016 0.6100 0.5698 0.0300 -0.0034 0.0049 466 PHE A CB 2979 C CG . PHE A 399 ? 0.6111 0.6143 0.5776 0.0302 -0.0028 0.0057 466 PHE A CG 2980 C CD1 . PHE A 399 ? 0.6353 0.6362 0.6046 0.0323 -0.0033 0.0057 466 PHE A CD1 2981 C CD2 . PHE A 399 ? 0.5990 0.5995 0.5610 0.0282 -0.0019 0.0064 466 PHE A CD2 2982 C CE1 . PHE A 399 ? 0.6247 0.6206 0.5921 0.0323 -0.0028 0.0065 466 PHE A CE1 2983 C CE2 . PHE A 399 ? 0.5777 0.5734 0.5378 0.0281 -0.0014 0.0072 466 PHE A CE2 2984 C CZ . PHE A 399 ? 0.6224 0.6157 0.5852 0.0301 -0.0018 0.0072 466 PHE A CZ 2985 N N . MET A 400 ? 0.5634 0.5830 0.5400 0.0311 -0.0037 0.0014 467 MET A N 2986 C CA . MET A 400 ? 0.6144 0.6382 0.5910 0.0302 -0.0042 0.0010 467 MET A CA 2987 C C . MET A 400 ? 0.6288 0.6559 0.6093 0.0320 -0.0059 0.0008 467 MET A C 2988 O O . MET A 400 ? 0.6571 0.6847 0.6417 0.0337 -0.0057 -0.0001 467 MET A O 2989 C CB . MET A 400 ? 0.5846 0.6105 0.5617 0.0284 -0.0020 -0.0010 467 MET A CB 2990 C CG . MET A 400 ? 0.6204 0.6435 0.5941 0.0265 -0.0004 -0.0011 467 MET A CG 2991 S SD . MET A 400 ? 0.5757 0.5971 0.5442 0.0250 -0.0011 0.0007 467 MET A SD 2992 C CE . MET A 400 ? 0.5795 0.6054 0.5482 0.0242 -0.0020 0.0004 467 MET A CE 2993 N N . PRO A 401 ? 0.7010 0.7309 0.6806 0.0315 -0.0072 0.0014 468 PRO A N 2994 C CA . PRO A 401 ? 0.6746 0.7089 0.6580 0.0325 -0.0084 0.0007 468 PRO A CA 2995 C C . PRO A 401 ? 0.6177 0.6547 0.6045 0.0321 -0.0064 -0.0018 468 PRO A C 2996 O O . PRO A 401 ? 0.6973 0.7337 0.6822 0.0302 -0.0045 -0.0028 468 PRO A O 2997 C CB . PRO A 401 ? 0.6707 0.7070 0.6512 0.0310 -0.0093 0.0014 468 PRO A CB 2998 C CG . PRO A 401 ? 0.7408 0.7733 0.7163 0.0300 -0.0094 0.0032 468 PRO A CG 2999 C CD . PRO A 401 ? 0.7288 0.7579 0.7037 0.0298 -0.0076 0.0027 468 PRO A CD 3000 N N . ILE A 402 ? 0.6748 0.7152 0.6664 0.0335 -0.0069 -0.0030 469 ILE A N 3001 C CA . ILE A 402 ? 0.7448 0.7867 0.7401 0.0334 -0.0048 -0.0056 469 ILE A CA 3002 C C . ILE A 402 ? 0.7208 0.7664 0.7166 0.0313 -0.0031 -0.0077 469 ILE A C 3003 O O . ILE A 402 ? 0.7077 0.7561 0.7028 0.0304 -0.0038 -0.0076 469 ILE A O 3004 C CB . ILE A 402 ? 0.8124 0.8550 0.8132 0.0362 -0.0057 -0.0061 469 ILE A CB 3005 C CG1 . ILE A 402 ? 1.0917 1.1333 1.0953 0.0365 -0.0034 -0.0082 469 ILE A CG1 3006 C CG2 . ILE A 402 ? 0.7962 0.8439 0.8010 0.0371 -0.0072 -0.0067 469 ILE A CG2 3007 C CD1 . ILE A 402 ? 1.2650 1.3067 1.2742 0.0395 -0.0042 -0.0087 469 ILE A CD1 3008 N N . ALA B 15 ? 0.9084 0.9552 0.9354 0.0117 -0.0280 -0.0079 82 ALA B N 3009 C CA . ALA B 15 ? 0.9700 1.0185 0.9952 0.0114 -0.0247 -0.0097 82 ALA B CA 3010 C C . ALA B 15 ? 0.9145 0.9666 0.9445 0.0116 -0.0229 -0.0123 82 ALA B C 3011 O O . ALA B 15 ? 0.8703 0.9240 0.9026 0.0117 -0.0236 -0.0127 82 ALA B O 3012 C CB . ALA B 15 ? 0.9373 0.9852 0.9553 0.0105 -0.0237 -0.0088 82 ALA B CB 3013 N N . GLU B 16 ? 0.8777 0.9310 0.9089 0.0117 -0.0206 -0.0142 83 GLU B N 3014 C CA . GLU B 16 ? 0.8823 0.9390 0.9177 0.0116 -0.0185 -0.0169 83 GLU B CA 3015 C C . GLU B 16 ? 0.7311 0.7893 0.7618 0.0105 -0.0159 -0.0177 83 GLU B C 3016 O O . GLU B 16 ? 0.6819 0.7384 0.7070 0.0101 -0.0157 -0.0162 83 GLU B O 3017 C CB . GLU B 16 ? 1.0093 1.0662 1.0503 0.0124 -0.0180 -0.0187 83 GLU B CB 3018 C CG . GLU B 16 ? 1.2583 1.3118 1.2976 0.0127 -0.0191 -0.0171 83 GLU B CG 3019 C CD . GLU B 16 ? 1.4949 1.5482 1.5389 0.0133 -0.0182 -0.0189 83 GLU B CD 3020 O OE1 . GLU B 16 ? 1.6605 1.7163 1.7061 0.0129 -0.0156 -0.0215 83 GLU B OE1 3021 O OE2 . GLU B 16 ? 1.4646 1.5151 1.5104 0.0140 -0.0202 -0.0178 83 GLU B OE2 3022 N N . TYR B 17 ? 0.5852 0.6466 0.6180 0.0100 -0.0140 -0.0198 84 TYR B N 3023 C CA . TYR B 17 ? 0.5937 0.6566 0.6225 0.0089 -0.0116 -0.0205 84 TYR B CA 3024 C C . TYR B 17 ? 0.5380 0.6006 0.5663 0.0087 -0.0101 -0.0213 84 TYR B C 3025 O O . TYR B 17 ? 0.5669 0.6293 0.5995 0.0093 -0.0102 -0.0225 84 TYR B O 3026 C CB . TYR B 17 ? 0.5308 0.5973 0.5621 0.0081 -0.0100 -0.0226 84 TYR B CB 3027 C CG . TYR B 17 ? 0.5510 0.6181 0.5820 0.0078 -0.0111 -0.0219 84 TYR B CG 3028 C CD1 . TYR B 17 ? 0.5317 0.5972 0.5571 0.0074 -0.0118 -0.0199 84 TYR B CD1 3029 C CD2 . TYR B 17 ? 0.5738 0.6433 0.6106 0.0081 -0.0115 -0.0233 84 TYR B CD2 3030 C CE1 . TYR B 17 ? 0.5622 0.6281 0.5872 0.0070 -0.0128 -0.0193 84 TYR B CE1 3031 C CE2 . TYR B 17 ? 0.6268 0.6970 0.6633 0.0077 -0.0125 -0.0226 84 TYR B CE2 3032 C CZ . TYR B 17 ? 0.6275 0.6957 0.6579 0.0071 -0.0132 -0.0206 84 TYR B CZ 3033 O OH . TYR B 17 ? 0.7104 0.7791 0.7403 0.0066 -0.0143 -0.0199 84 TYR B OH 3034 N N . ARG B 18 ? 0.5236 0.5860 0.5467 0.0079 -0.0090 -0.0207 85 ARG B N 3035 C CA . ARG B 18 ? 0.5784 0.6413 0.6006 0.0074 -0.0072 -0.0217 85 ARG B CA 3036 C C . ARG B 18 ? 0.5139 0.5802 0.5388 0.0064 -0.0049 -0.0244 85 ARG B C 3037 O O . ARG B 18 ? 0.4827 0.5510 0.5069 0.0056 -0.0041 -0.0249 85 ARG B O 3038 C CB . ARG B 18 ? 0.4949 0.5575 0.5111 0.0066 -0.0065 -0.0203 85 ARG B CB 3039 C CG . ARG B 18 ? 0.5714 0.6312 0.5840 0.0070 -0.0077 -0.0180 85 ARG B CG 3040 C CD . ARG B 18 ? 0.5855 0.6457 0.5928 0.0063 -0.0068 -0.0170 85 ARG B CD 3041 N NE . ARG B 18 ? 0.5330 0.5914 0.5370 0.0064 -0.0069 -0.0156 85 ARG B NE 3042 C CZ . ARG B 18 ? 0.6059 0.6638 0.6055 0.0062 -0.0068 -0.0141 85 ARG B CZ 3043 N NH1 . ARG B 18 ? 0.6846 0.7432 0.6821 0.0060 -0.0066 -0.0138 85 ARG B NH1 3044 N NH2 . ARG B 18 ? 0.6063 0.6629 0.6035 0.0063 -0.0069 -0.0130 85 ARG B NH2 3045 N N . ASN B 19 ? 0.4560 0.5226 0.4831 0.0063 -0.0038 -0.0261 86 ASN B N 3046 C CA . ASN B 19 ? 0.5688 0.6385 0.5980 0.0052 -0.0013 -0.0289 86 ASN B CA 3047 C C . ASN B 19 ? 0.5076 0.5778 0.5336 0.0039 0.0003 -0.0293 86 ASN B C 3048 O O . ASN B 19 ? 0.5498 0.6227 0.5756 0.0025 0.0023 -0.0312 86 ASN B O 3049 C CB . ASN B 19 ? 0.6163 0.6865 0.6522 0.0060 -0.0012 -0.0312 86 ASN B CB 3050 C CG . ASN B 19 ? 0.7602 0.8305 0.8000 0.0071 -0.0028 -0.0310 86 ASN B CG 3051 O OD1 . ASN B 19 ? 0.9735 1.0415 1.0158 0.0085 -0.0049 -0.0299 86 ASN B OD1 3052 N ND2 . ASN B 19 ? 0.9216 0.9946 0.9616 0.0063 -0.0021 -0.0316 86 ASN B ND2 3053 N N . TRP B 20 ? 0.4857 0.5534 0.5086 0.0043 -0.0005 -0.0275 87 TRP B N 3054 C CA . TRP B 20 ? 0.5045 0.5727 0.5244 0.0031 0.0008 -0.0278 87 TRP B CA 3055 C C . TRP B 20 ? 0.5398 0.6095 0.5631 0.0023 0.0027 -0.0308 87 TRP B C 3056 O O . TRP B 20 ? 0.5485 0.6202 0.5697 0.0007 0.0044 -0.0318 87 TRP B O 3057 C CB . TRP B 20 ? 0.4692 0.5393 0.4846 0.0018 0.0018 -0.0270 87 TRP B CB 3058 C CG . TRP B 20 ? 0.5067 0.5755 0.5185 0.0024 0.0003 -0.0244 87 TRP B CG 3059 C CD1 . TRP B 20 ? 0.4661 0.5356 0.4779 0.0025 0.0000 -0.0240 87 TRP B CD1 3060 C CD2 . TRP B 20 ? 0.4499 0.5167 0.4576 0.0028 -0.0005 -0.0220 87 TRP B CD2 3061 N NE1 . TRP B 20 ? 0.4858 0.5536 0.4939 0.0030 -0.0012 -0.0216 87 TRP B NE1 3062 C CE2 . TRP B 20 ? 0.4607 0.5270 0.4663 0.0032 -0.0015 -0.0204 87 TRP B CE2 3063 C CE3 . TRP B 20 ? 0.4867 0.5523 0.4927 0.0028 -0.0006 -0.0211 87 TRP B CE3 3064 C CZ2 . TRP B 20 ? 0.4572 0.5216 0.4589 0.0037 -0.0024 -0.0181 87 TRP B CZ2 3065 C CZ3 . TRP B 20 ? 0.4564 0.5204 0.4586 0.0033 -0.0014 -0.0188 87 TRP B CZ3 3066 C CH2 . TRP B 20 ? 0.4570 0.5204 0.4571 0.0037 -0.0023 -0.0174 87 TRP B CH2 3067 N N . SER B 21 ? 0.5107 0.5796 0.5393 0.0034 0.0022 -0.0322 88 SER B N 3068 C CA . SER B 21 ? 0.5595 0.6298 0.5922 0.0028 0.0040 -0.0355 88 SER B CA 3069 C C . SER B 21 ? 0.5920 0.6601 0.6247 0.0028 0.0041 -0.0357 88 SER B C 3070 O O . SER B 21 ? 0.7050 0.7715 0.7421 0.0039 0.0035 -0.0368 88 SER B O 3071 C CB . SER B 21 ? 0.5604 0.6313 0.5994 0.0040 0.0036 -0.0372 88 SER B CB 3072 O OG . SER B 21 ? 0.5609 0.6287 0.6018 0.0059 0.0011 -0.0353 88 SER B OG 3073 N N . LYS B 22 ? 0.6491 0.7171 0.6769 0.0017 0.0045 -0.0345 89 LYS B N 3074 C CA . LYS B 22 ? 0.5616 0.6278 0.5887 0.0014 0.0046 -0.0346 89 LYS B CA 3075 C C . LYS B 22 ? 0.5445 0.6129 0.5677 -0.0006 0.0065 -0.0353 89 LYS B C 3076 O O . LYS B 22 ? 0.5562 0.6266 0.5761 -0.0014 0.0068 -0.0343 89 LYS B O 3077 C CB . LYS B 22 ? 0.5854 0.6485 0.6098 0.0023 0.0025 -0.0314 89 LYS B CB 3078 C CG . LYS B 22 ? 0.6128 0.6734 0.6407 0.0042 0.0004 -0.0305 89 LYS B CG 3079 C CD . LYS B 22 ? 0.5929 0.6504 0.6177 0.0048 -0.0016 -0.0273 89 LYS B CD 3080 C CE . LYS B 22 ? 0.6662 0.7214 0.6949 0.0065 -0.0038 -0.0265 89 LYS B CE 3081 N NZ . LYS B 22 ? 0.7259 0.7784 0.7510 0.0069 -0.0059 -0.0232 89 LYS B NZ 3082 N N . PRO B 23 ? 0.5823 0.6504 0.6058 -0.0016 0.0076 -0.0368 90 PRO B N 3083 C CA . PRO B 23 ? 0.5616 0.6318 0.5808 -0.0037 0.0090 -0.0369 90 PRO B CA 3084 C C . PRO B 23 ? 0.5016 0.5712 0.5158 -0.0038 0.0078 -0.0336 90 PRO B C 3085 O O . PRO B 23 ? 0.5770 0.6441 0.5907 -0.0023 0.0061 -0.0313 90 PRO B O 3086 C CB . PRO B 23 ? 0.5931 0.6624 0.6138 -0.0046 0.0100 -0.0390 90 PRO B CB 3087 C CG . PRO B 23 ? 0.6476 0.7133 0.6718 -0.0026 0.0084 -0.0384 90 PRO B CG 3088 C CD . PRO B 23 ? 0.5826 0.6478 0.6092 -0.0008 0.0070 -0.0375 90 PRO B CD 3089 N N . GLN B 24 ? 0.5061 0.5782 0.5165 -0.0055 0.0089 -0.0334 91 GLN B N 3090 C CA . GLN B 24 ? 0.4868 0.5590 0.4928 -0.0058 0.0081 -0.0306 91 GLN B CA 3091 C C . GLN B 24 ? 0.5050 0.5754 0.5103 -0.0060 0.0078 -0.0300 91 GLN B C 3092 O O . GLN B 24 ? 0.4828 0.5535 0.4890 -0.0073 0.0089 -0.0321 91 GLN B O 3093 C CB . GLN B 24 ? 0.5113 0.5867 0.5141 -0.0078 0.0093 -0.0307 91 GLN B CB 3094 C CG . GLN B 24 ? 0.4726 0.5487 0.4710 -0.0083 0.0086 -0.0280 91 GLN B CG 3095 C CD . GLN B 24 ? 0.4826 0.5618 0.4785 -0.0099 0.0094 -0.0279 91 GLN B CD 3096 O OE1 . GLN B 24 ? 0.4798 0.5595 0.4753 -0.0095 0.0091 -0.0272 91 GLN B OE1 3097 N NE2 . GLN B 24 ? 0.5814 0.6625 0.5755 -0.0121 0.0104 -0.0286 91 GLN B NE2 3098 N N . CYS B 25 ? 0.5297 0.5984 0.5329 -0.0051 0.0064 -0.0273 92 CYS B N 3099 C CA . CYS B 25 ? 0.5941 0.6614 0.5960 -0.0055 0.0061 -0.0265 92 CYS B CA 3100 C C . CYS B 25 ? 0.5931 0.6630 0.5925 -0.0077 0.0073 -0.0271 92 CYS B C 3101 O O . CYS B 25 ? 0.5390 0.6114 0.5361 -0.0084 0.0077 -0.0263 92 CYS B O 3102 C CB . CYS B 25 ? 0.6096 0.6753 0.6092 -0.0044 0.0045 -0.0234 92 CYS B CB 3103 S SG . CYS B 25 ? 0.8851 0.9477 0.8868 -0.0021 0.0027 -0.0223 92 CYS B SG 3104 N N . GLN B 26 ? 0.5786 0.6479 0.5785 -0.0088 0.0079 -0.0282 93 GLN B N 3105 C CA . GLN B 26 ? 0.6856 0.7572 0.6830 -0.0111 0.0089 -0.0286 93 GLN B CA 3106 C C . GLN B 26 ? 0.6453 0.7168 0.6398 -0.0109 0.0079 -0.0257 93 GLN B C 3107 O O . GLN B 26 ? 0.9022 0.9714 0.8971 -0.0104 0.0071 -0.0249 93 GLN B O 3108 C CB . GLN B 26 ? 0.6665 0.7373 0.6657 -0.0125 0.0100 -0.0313 93 GLN B CB 3109 C CG . GLN B 26 ? 0.6374 0.7087 0.6398 -0.0128 0.0114 -0.0347 93 GLN B CG 3110 C CD . GLN B 26 ? 0.7270 0.8019 0.7278 -0.0141 0.0125 -0.0354 93 GLN B CD 3111 O OE1 . GLN B 26 ? 0.6938 0.7712 0.6919 -0.0163 0.0134 -0.0358 93 GLN B OE1 3112 N NE2 . GLN B 26 ? 0.7169 0.7923 0.7190 -0.0128 0.0122 -0.0351 93 GLN B NE2 3113 N N . ILE B 27 ? 0.5638 0.6377 0.5555 -0.0113 0.0078 -0.0241 94 ILE B N 3114 C CA . ILE B 27 ? 0.5810 0.6552 0.5704 -0.0109 0.0069 -0.0213 94 ILE B CA 3115 C C . ILE B 27 ? 0.5557 0.6324 0.5430 -0.0130 0.0074 -0.0211 94 ILE B C 3116 O O . ILE B 27 ? 0.4662 0.5450 0.4531 -0.0147 0.0084 -0.0226 94 ILE B O 3117 C CB . ILE B 27 ? 0.6725 0.7476 0.6606 -0.0096 0.0062 -0.0193 94 ILE B CB 3118 C CG1 . ILE B 27 ? 0.5982 0.6762 0.5849 -0.0108 0.0068 -0.0196 94 ILE B CG1 3119 C CG2 . ILE B 27 ? 0.6797 0.7524 0.6695 -0.0076 0.0056 -0.0194 94 ILE B CG2 3120 C CD1 . ILE B 27 ? 0.7407 0.8194 0.7258 -0.0096 0.0061 -0.0174 94 ILE B CD1 3121 N N . THR B 28 ? 0.4827 0.5594 0.4686 -0.0128 0.0068 -0.0191 95 THR B N 3122 C CA . THR B 28 ? 0.4521 0.5313 0.4362 -0.0147 0.0070 -0.0184 95 THR B CA 3123 C C . THR B 28 ? 0.4889 0.5703 0.4712 -0.0141 0.0064 -0.0160 95 THR B C 3124 O O . THR B 28 ? 0.4755 0.5595 0.4564 -0.0155 0.0064 -0.0151 95 THR B O 3125 C CB . THR B 28 ? 0.5477 0.6253 0.5320 -0.0150 0.0067 -0.0180 95 THR B CB 3126 O OG1 . THR B 28 ? 0.5659 0.6414 0.5502 -0.0130 0.0058 -0.0161 95 THR B OG1 3127 C CG2 . THR B 28 ? 0.4860 0.5611 0.4723 -0.0156 0.0073 -0.0205 95 THR B CG2 3128 N N . GLY B 29 ? 0.4366 0.5171 0.4191 -0.0122 0.0059 -0.0150 96 GLY B N 3129 C CA . GLY B 29 ? 0.4195 0.5015 0.4006 -0.0112 0.0053 -0.0127 96 GLY B CA 3130 C C . GLY B 29 ? 0.5136 0.5931 0.4951 -0.0089 0.0046 -0.0117 96 GLY B C 3131 O O . GLY B 29 ? 0.5209 0.5980 0.5037 -0.0081 0.0045 -0.0128 96 GLY B O 3132 N N . PHE B 30 ? 0.4766 0.5569 0.4571 -0.0079 0.0042 -0.0097 97 PHE B N 3133 C CA . PHE B 30 ? 0.4965 0.5747 0.4768 -0.0058 0.0036 -0.0088 97 PHE B CA 3134 C C . PHE B 30 ? 0.4929 0.5708 0.4725 -0.0052 0.0034 -0.0073 97 PHE B C 3135 O O . PHE B 30 ? 0.4468 0.5269 0.4259 -0.0059 0.0036 -0.0064 97 PHE B O 3136 C CB . PHE B 30 ? 0.4805 0.5600 0.4602 -0.0051 0.0034 -0.0080 97 PHE B CB 3137 C CG . PHE B 30 ? 0.4604 0.5404 0.4406 -0.0059 0.0037 -0.0094 97 PHE B CG 3138 C CD1 . PHE B 30 ? 0.4574 0.5353 0.4386 -0.0051 0.0036 -0.0104 97 PHE B CD1 3139 C CD2 . PHE B 30 ? 0.4829 0.5656 0.4626 -0.0077 0.0040 -0.0097 97 PHE B CD2 3140 C CE1 . PHE B 30 ? 0.4918 0.5705 0.4735 -0.0060 0.0040 -0.0118 97 PHE B CE1 3141 C CE2 . PHE B 30 ? 0.4774 0.5607 0.4573 -0.0088 0.0044 -0.0111 97 PHE B CE2 3142 C CZ . PHE B 30 ? 0.4961 0.5774 0.4771 -0.0079 0.0045 -0.0122 97 PHE B CZ 3143 N N . ALA B 31 ? 0.4569 0.5321 0.4365 -0.0039 0.0030 -0.0070 98 ALA B N 3144 C CA . ALA B 31 ? 0.4727 0.5472 0.4513 -0.0033 0.0028 -0.0057 98 ALA B CA 3145 C C . ALA B 31 ? 0.4512 0.5249 0.4290 -0.0016 0.0025 -0.0047 98 ALA B C 3146 O O . ALA B 31 ? 0.4132 0.4855 0.3912 -0.0007 0.0022 -0.0052 98 ALA B O 3147 C CB . ALA B 31 ? 0.4983 0.5700 0.4773 -0.0037 0.0025 -0.0062 98 ALA B CB 3148 N N . PRO B 32 ? 0.4381 0.5124 0.4148 -0.0011 0.0027 -0.0035 99 PRO B N 3149 C CA . PRO B 32 ? 0.4620 0.5356 0.4378 0.0003 0.0027 -0.0027 99 PRO B CA 3150 C C . PRO B 32 ? 0.4328 0.5030 0.4079 0.0010 0.0021 -0.0030 99 PRO B C 3151 O O . PRO B 32 ? 0.4824 0.5508 0.4574 0.0004 0.0017 -0.0031 99 PRO B O 3152 C CB . PRO B 32 ? 0.4376 0.5128 0.4127 0.0002 0.0032 -0.0017 99 PRO B CB 3153 C CG . PRO B 32 ? 0.4768 0.5547 0.4528 -0.0012 0.0035 -0.0017 99 PRO B CG 3154 C CD . PRO B 32 ? 0.4731 0.5492 0.4496 -0.0022 0.0032 -0.0029 99 PRO B CD 3155 N N . PHE B 33 ? 0.4407 0.5099 0.4155 0.0022 0.0018 -0.0029 100 PHE B N 3156 C CA . PHE B 33 ? 0.4783 0.5443 0.4525 0.0028 0.0010 -0.0031 100 PHE B CA 3157 C C . PHE B 33 ? 0.4516 0.5165 0.4240 0.0040 0.0010 -0.0025 100 PHE B C 3158 O O . PHE B 33 ? 0.5005 0.5636 0.4717 0.0040 0.0007 -0.0021 100 PHE B O 3159 C CB . PHE B 33 ? 0.5085 0.5739 0.4840 0.0029 0.0006 -0.0042 100 PHE B CB 3160 C CG . PHE B 33 ? 0.4675 0.5300 0.4432 0.0034 -0.0003 -0.0045 100 PHE B CG 3161 C CD1 . PHE B 33 ? 0.4797 0.5402 0.4554 0.0031 -0.0009 -0.0043 100 PHE B CD1 3162 C CD2 . PHE B 33 ? 0.4604 0.5222 0.4364 0.0041 -0.0007 -0.0049 100 PHE B CD2 3163 C CE1 . PHE B 33 ? 0.5135 0.5713 0.4896 0.0035 -0.0020 -0.0045 100 PHE B CE1 3164 C CE2 . PHE B 33 ? 0.4827 0.5422 0.4592 0.0045 -0.0017 -0.0051 100 PHE B CE2 3165 C CZ . PHE B 33 ? 0.4632 0.5206 0.4397 0.0042 -0.0024 -0.0049 100 PHE B CZ 3166 N N . SER B 34 ? 0.4937 0.5599 0.4660 0.0048 0.0014 -0.0023 101 SER B N 3167 C CA . SER B 34 ? 0.4515 0.5166 0.4223 0.0059 0.0015 -0.0019 101 SER B CA 3168 C C . SER B 34 ? 0.4356 0.5028 0.4068 0.0067 0.0022 -0.0015 101 SER B C 3169 O O . SER B 34 ? 0.4701 0.5391 0.4425 0.0065 0.0022 -0.0015 101 SER B O 3170 C CB . SER B 34 ? 0.4928 0.5552 0.4632 0.0064 0.0006 -0.0023 101 SER B CB 3171 O OG . SER B 34 ? 0.4662 0.5269 0.4346 0.0071 0.0007 -0.0020 101 SER B OG 3172 N N . LYS B 35 ? 0.4705 0.5372 0.4404 0.0075 0.0027 -0.0012 102 LYS B N 3173 C CA . LYS B 35 ? 0.4558 0.5241 0.4263 0.0085 0.0033 -0.0009 102 LYS B CA 3174 C C . LYS B 35 ? 0.4634 0.5296 0.4322 0.0096 0.0036 -0.0011 102 LYS B C 3175 O O . LYS B 35 ? 0.5007 0.5656 0.4678 0.0093 0.0038 -0.0012 102 LYS B O 3176 C CB . LYS B 35 ? 0.4565 0.5278 0.4279 0.0083 0.0042 -0.0004 102 LYS B CB 3177 C CG . LYS B 35 ? 0.4761 0.5496 0.4489 0.0093 0.0046 0.0000 102 LYS B CG 3178 C CD . LYS B 35 ? 0.5322 0.6091 0.5064 0.0090 0.0054 0.0005 102 LYS B CD 3179 C CE . LYS B 35 ? 0.5791 0.6585 0.5554 0.0099 0.0054 0.0011 102 LYS B CE 3180 N NZ . LYS B 35 ? 0.6628 0.7411 0.6392 0.0117 0.0059 0.0010 102 LYS B NZ 3181 N N . ASP B 36 ? 0.4525 0.5182 0.4216 0.0107 0.0035 -0.0011 103 ASP B N 3182 C CA . ASP B 36 ? 0.5256 0.5889 0.4928 0.0115 0.0038 -0.0016 103 ASP B CA 3183 C C . ASP B 36 ? 0.4683 0.5325 0.4356 0.0127 0.0050 -0.0016 103 ASP B C 3184 O O . ASP B 36 ? 0.4906 0.5529 0.4561 0.0130 0.0055 -0.0022 103 ASP B O 3185 C CB . ASP B 36 ? 0.6139 0.6747 0.5805 0.0118 0.0029 -0.0019 103 ASP B CB 3186 C CG . ASP B 36 ? 0.6500 0.7114 0.6179 0.0127 0.0028 -0.0016 103 ASP B CG 3187 O OD1 . ASP B 36 ? 0.7323 0.7964 0.7020 0.0130 0.0032 -0.0011 103 ASP B OD1 3188 O OD2 . ASP B 36 ? 0.7342 0.7935 0.7015 0.0130 0.0021 -0.0019 103 ASP B OD2 3189 N N . ASN B 37 ? 0.3889 0.4561 0.3586 0.0131 0.0055 -0.0012 104 ASN B N 3190 C CA . ASN B 37 ? 0.4244 0.4928 0.3948 0.0143 0.0067 -0.0013 104 ASN B CA 3191 C C . ASN B 37 ? 0.4290 0.4952 0.3990 0.0157 0.0069 -0.0019 104 ASN B C 3192 O O . ASN B 37 ? 0.4574 0.5238 0.4273 0.0166 0.0082 -0.0025 104 ASN B O 3193 C CB . ASN B 37 ? 0.4296 0.4988 0.3989 0.0136 0.0078 -0.0016 104 ASN B CB 3194 C CG . ASN B 37 ? 0.5069 0.5788 0.4772 0.0124 0.0078 -0.0010 104 ASN B CG 3195 O OD1 . ASN B 37 ? 0.5696 0.6446 0.5426 0.0127 0.0079 -0.0004 104 ASN B OD1 3196 N ND2 . ASN B 37 ? 0.5045 0.5755 0.4730 0.0111 0.0077 -0.0010 104 ASN B ND2 3197 N N . SER B 38 ? 0.4653 0.5294 0.4349 0.0159 0.0058 -0.0018 105 SER B N 3198 C CA . SER B 38 ? 0.5549 0.6163 0.5237 0.0170 0.0059 -0.0024 105 SER B CA 3199 C C . SER B 38 ? 0.5067 0.5690 0.4774 0.0186 0.0068 -0.0025 105 SER B C 3200 O O . SER B 38 ? 0.4799 0.5401 0.4495 0.0195 0.0075 -0.0035 105 SER B O 3201 C CB . SER B 38 ? 0.5457 0.6054 0.5145 0.0169 0.0045 -0.0021 105 SER B CB 3202 O OG . SER B 38 ? 0.7624 0.8214 0.7300 0.0155 0.0037 -0.0021 105 SER B OG 3203 N N . ILE B 39 ? 0.4222 0.4873 0.3958 0.0191 0.0065 -0.0016 106 ILE B N 3204 C CA . ILE B 39 ? 0.4192 0.4850 0.3953 0.0208 0.0070 -0.0015 106 ILE B CA 3205 C C . ILE B 39 ? 0.4055 0.4732 0.3823 0.0214 0.0088 -0.0023 106 ILE B C 3206 O O . ILE B 39 ? 0.4127 0.4795 0.3901 0.0228 0.0098 -0.0032 106 ILE B O 3207 C CB . ILE B 39 ? 0.4410 0.5095 0.4202 0.0210 0.0059 0.0000 106 ILE B CB 3208 C CG1 . ILE B 39 ? 0.4857 0.5525 0.4640 0.0201 0.0043 0.0007 106 ILE B CG1 3209 C CG2 . ILE B 39 ? 0.4612 0.5299 0.4432 0.0229 0.0062 0.0001 106 ILE B CG2 3210 C CD1 . ILE B 39 ? 0.4881 0.5509 0.4647 0.0206 0.0039 0.0000 106 ILE B CD1 3211 N N . ARG B 40 ? 0.4360 0.5063 0.4128 0.0203 0.0092 -0.0020 107 ARG B N 3212 C CA . ARG B 40 ? 0.4635 0.5357 0.4405 0.0204 0.0110 -0.0028 107 ARG B CA 3213 C C . ARG B 40 ? 0.4851 0.5543 0.4589 0.0204 0.0121 -0.0043 107 ARG B C 3214 O O . ARG B 40 ? 0.4664 0.5359 0.4409 0.0215 0.0137 -0.0054 107 ARG B O 3215 C CB . ARG B 40 ? 0.4330 0.5078 0.4098 0.0188 0.0111 -0.0022 107 ARG B CB 3216 C CG . ARG B 40 ? 0.4717 0.5504 0.4519 0.0188 0.0105 -0.0010 107 ARG B CG 3217 C CD . ARG B 40 ? 0.4393 0.5199 0.4189 0.0169 0.0103 -0.0004 107 ARG B CD 3218 N NE . ARG B 40 ? 0.4451 0.5267 0.4236 0.0163 0.0119 -0.0012 107 ARG B NE 3219 C CZ . ARG B 40 ? 0.4578 0.5431 0.4385 0.0165 0.0131 -0.0011 107 ARG B CZ 3220 N NH1 . ARG B 40 ? 0.4567 0.5427 0.4360 0.0156 0.0145 -0.0018 107 ARG B NH1 3221 N NH2 . ARG B 40 ? 0.4777 0.5660 0.4622 0.0174 0.0127 -0.0003 107 ARG B NH2 3222 N N . LEU B 41 ? 0.4681 0.5345 0.4387 0.0191 0.0113 -0.0044 108 LEU B N 3223 C CA . LEU B 41 ? 0.5120 0.5751 0.4792 0.0190 0.0119 -0.0057 108 LEU B CA 3224 C C . LEU B 41 ? 0.6298 0.6913 0.5986 0.0205 0.0112 -0.0057 108 LEU B C 3225 O O . LEU B 41 ? 0.8991 0.9613 0.8697 0.0206 0.0098 -0.0045 108 LEU B O 3226 C CB . LEU B 41 ? 0.4502 0.5109 0.4142 0.0174 0.0107 -0.0055 108 LEU B CB 3227 C CG . LEU B 41 ? 0.4729 0.5353 0.4363 0.0158 0.0105 -0.0048 108 LEU B CG 3228 C CD1 . LEU B 41 ? 0.5046 0.5646 0.4661 0.0146 0.0088 -0.0043 108 LEU B CD1 3229 C CD2 . LEU B 41 ? 0.4776 0.5407 0.4391 0.0150 0.0120 -0.0054 108 LEU B CD2 3230 N N . SER B 42 ? 0.5619 0.6212 0.5301 0.0215 0.0120 -0.0068 109 SER B N 3231 C CA . SER B 42 ? 0.5319 0.5891 0.5015 0.0230 0.0111 -0.0067 109 SER B CA 3232 C C . SER B 42 ? 0.5234 0.5817 0.4955 0.0247 0.0127 -0.0077 109 SER B C 3233 O O . SER B 42 ? 0.5437 0.5994 0.5154 0.0257 0.0133 -0.0088 109 SER B O 3234 C CB . SER B 42 ? 0.5588 0.6162 0.5306 0.0233 0.0093 -0.0052 109 SER B CB 3235 O OG . SER B 42 ? 0.6112 0.6668 0.5808 0.0219 0.0078 -0.0047 109 SER B OG 3236 N N . ALA B 43 ? 0.5322 0.5945 0.5070 0.0250 0.0136 -0.0073 110 ALA B N 3237 C CA . ALA B 43 ? 0.5107 0.5746 0.4881 0.0266 0.0155 -0.0084 110 ALA B CA 3238 C C . ALA B 43 ? 0.5687 0.6321 0.5434 0.0260 0.0176 -0.0104 110 ALA B C 3239 O O . ALA B 43 ? 0.6290 0.6940 0.6058 0.0272 0.0195 -0.0116 110 ALA B O 3240 C CB . ALA B 43 ? 0.4977 0.5665 0.4791 0.0269 0.0156 -0.0073 110 ALA B CB 3241 N N . GLY B 44 ? 0.6661 0.7276 0.6363 0.0241 0.0174 -0.0107 111 GLY B N 3242 C CA . GLY B 44 ? 0.6395 0.7000 0.6064 0.0233 0.0193 -0.0124 111 GLY B CA 3243 C C . GLY B 44 ? 0.6507 0.7077 0.6126 0.0215 0.0183 -0.0125 111 GLY B C 3244 O O . GLY B 44 ? 0.8407 0.8980 0.7996 0.0197 0.0186 -0.0124 111 GLY B O 3245 N N . GLY B 45 ? 0.6859 0.7396 0.6471 0.0220 0.0170 -0.0124 112 GLY B N 3246 C CA . GLY B 45 ? 0.6248 0.6752 0.5818 0.0204 0.0156 -0.0123 112 GLY B CA 3247 C C . GLY B 45 ? 0.6441 0.6918 0.6017 0.0211 0.0139 -0.0117 112 GLY B C 3248 O O . GLY B 45 ? 0.6898 0.7386 0.6511 0.0225 0.0133 -0.0109 112 GLY B O 3249 N N . ASP B 46 ? 0.5577 0.6021 0.5118 0.0200 0.0129 -0.0120 113 ASP B N 3250 C CA . ASP B 46 ? 0.5555 0.5970 0.5094 0.0202 0.0113 -0.0116 113 ASP B CA 3251 C C . ASP B 46 ? 0.5631 0.6054 0.5175 0.0192 0.0093 -0.0099 113 ASP B C 3252 O O . ASP B 46 ? 0.5657 0.6073 0.5176 0.0177 0.0085 -0.0097 113 ASP B O 3253 C CB . ASP B 46 ? 0.5714 0.6092 0.5215 0.0195 0.0113 -0.0130 113 ASP B CB 3254 C CG . ASP B 46 ? 0.6523 0.6894 0.6017 0.0202 0.0136 -0.0150 113 ASP B CG 3255 O OD1 . ASP B 46 ? 0.7168 0.7543 0.6692 0.0221 0.0145 -0.0156 113 ASP B OD1 3256 O OD2 . ASP B 46 ? 0.7897 0.8259 0.7355 0.0189 0.0146 -0.0161 113 ASP B OD2 3257 N N . ILE B 47 ? 0.5276 0.5714 0.4853 0.0201 0.0085 -0.0088 114 ILE B N 3258 C CA . ILE B 47 ? 0.4847 0.5298 0.4434 0.0193 0.0069 -0.0074 114 ILE B CA 3259 C C . ILE B 47 ? 0.4283 0.4721 0.3885 0.0199 0.0056 -0.0067 114 ILE B C 3260 O O . ILE B 47 ? 0.4212 0.4647 0.3832 0.0212 0.0060 -0.0068 114 ILE B O 3261 C CB . ILE B 47 ? 0.4983 0.5473 0.4598 0.0195 0.0073 -0.0065 114 ILE B CB 3262 C CG1 . ILE B 47 ? 0.4873 0.5380 0.4475 0.0188 0.0086 -0.0069 114 ILE B CG1 3263 C CG2 . ILE B 47 ? 0.4222 0.4725 0.3849 0.0187 0.0058 -0.0052 114 ILE B CG2 3264 C CD1 . ILE B 47 ? 0.4876 0.5373 0.4450 0.0170 0.0078 -0.0067 114 ILE B CD1 3265 N N . TRP B 48 ? 0.4503 0.4933 0.4097 0.0188 0.0042 -0.0061 115 TRP B N 3266 C CA . TRP B 48 ? 0.4380 0.4798 0.3983 0.0188 0.0029 -0.0055 115 TRP B CA 3267 C C . TRP B 48 ? 0.4327 0.4770 0.3962 0.0195 0.0027 -0.0044 115 TRP B C 3268 O O . TRP B 48 ? 0.4101 0.4574 0.3750 0.0192 0.0029 -0.0038 115 TRP B O 3269 C CB . TRP B 48 ? 0.4399 0.4814 0.3993 0.0173 0.0015 -0.0051 115 TRP B CB 3270 C CG . TRP B 48 ? 0.4645 0.5029 0.4211 0.0166 0.0011 -0.0059 115 TRP B CG 3271 C CD1 . TRP B 48 ? 0.5213 0.5590 0.4755 0.0159 0.0013 -0.0065 115 TRP B CD1 3272 C CD2 . TRP B 48 ? 0.4601 0.4959 0.4158 0.0164 0.0002 -0.0061 115 TRP B CD2 3273 N NE1 . TRP B 48 ? 0.4863 0.5211 0.4382 0.0152 0.0005 -0.0071 115 TRP B NE1 3274 C CE2 . TRP B 48 ? 0.4906 0.5241 0.4434 0.0156 0.0000 -0.0069 115 TRP B CE2 3275 C CE3 . TRP B 48 ? 0.4965 0.5314 0.4534 0.0167 -0.0004 -0.0056 115 TRP B CE3 3276 C CZ2 . TRP B 48 ? 0.4970 0.5277 0.4482 0.0150 -0.0009 -0.0073 115 TRP B CZ2 3277 C CZ3 . TRP B 48 ? 0.5323 0.5641 0.4875 0.0162 -0.0012 -0.0060 115 TRP B CZ3 3278 C CH2 . TRP B 48 ? 0.5381 0.5680 0.4907 0.0153 -0.0014 -0.0069 115 TRP B CH2 3279 N N . VAL B 49 ? 0.4236 0.4665 0.3882 0.0203 0.0021 -0.0040 116 VAL B N 3280 C CA . VAL B 49 ? 0.4205 0.4653 0.3876 0.0204 0.0013 -0.0026 116 VAL B CA 3281 C C . VAL B 49 ? 0.4846 0.5296 0.4512 0.0188 0.0000 -0.0019 116 VAL B C 3282 O O . VAL B 49 ? 0.4852 0.5277 0.4499 0.0181 -0.0005 -0.0024 116 VAL B O 3283 C CB . VAL B 49 ? 0.4326 0.4755 0.4010 0.0217 0.0010 -0.0023 116 VAL B CB 3284 C CG1 . VAL B 49 ? 0.4397 0.4842 0.4102 0.0214 -0.0001 -0.0006 116 VAL B CG1 3285 C CG2 . VAL B 49 ? 0.4221 0.4652 0.3919 0.0235 0.0024 -0.0030 116 VAL B CG2 3286 N N . THR B 50 ? 0.4628 0.5110 0.4309 0.0181 -0.0002 -0.0010 117 THR B N 3287 C CA . THR B 50 ? 0.4913 0.5403 0.4591 0.0165 -0.0011 -0.0006 117 THR B CA 3288 C C . THR B 50 ? 0.4850 0.5364 0.4546 0.0159 -0.0018 0.0006 117 THR B C 3289 O O . THR B 50 ? 0.4668 0.5200 0.4382 0.0167 -0.0016 0.0014 117 THR B O 3290 C CB . THR B 50 ? 0.5761 0.6264 0.5432 0.0156 -0.0008 -0.0012 117 THR B CB 3291 O OG1 . THR B 50 ? 0.5104 0.5636 0.4788 0.0157 -0.0001 -0.0008 117 THR B OG1 3292 C CG2 . THR B 50 ? 0.5773 0.6254 0.5423 0.0158 -0.0003 -0.0023 117 THR B CG2 3293 N N . ARG B 51 ? 0.4590 0.5111 0.4283 0.0144 -0.0025 0.0007 118 ARG B N 3294 C CA . ARG B 51 ? 0.4911 0.5462 0.4616 0.0132 -0.0029 0.0016 118 ARG B CA 3295 C C . ARG B 51 ? 0.5400 0.5956 0.5098 0.0115 -0.0032 0.0011 118 ARG B C 3296 O O . ARG B 51 ? 0.4556 0.5093 0.4244 0.0113 -0.0033 0.0002 118 ARG B O 3297 C CB . ARG B 51 ? 0.4838 0.5390 0.4551 0.0132 -0.0038 0.0031 118 ARG B CB 3298 C CG . ARG B 51 ? 0.5045 0.5617 0.4777 0.0142 -0.0036 0.0041 118 ARG B CG 3299 C CD . ARG B 51 ? 0.4782 0.5370 0.4524 0.0133 -0.0048 0.0058 118 ARG B CD 3300 N NE . ARG B 51 ? 0.5348 0.5962 0.5086 0.0113 -0.0049 0.0058 118 ARG B NE 3301 C CZ . ARG B 51 ? 0.5452 0.6077 0.5187 0.0095 -0.0057 0.0067 118 ARG B CZ 3302 N NH1 . ARG B 51 ? 0.5479 0.6091 0.5214 0.0095 -0.0068 0.0081 118 ARG B NH1 3303 N NH2 . ARG B 51 ? 0.5725 0.6374 0.5456 0.0077 -0.0055 0.0063 118 ARG B NH2 3304 N N . GLU B 52 ? 0.4674 0.5258 0.4381 0.0102 -0.0033 0.0015 119 GLU B N 3305 C CA . GLU B 52 ? 0.4499 0.5092 0.4204 0.0085 -0.0035 0.0008 119 GLU B CA 3306 C C . GLU B 52 ? 0.4501 0.5089 0.4204 0.0086 -0.0029 -0.0004 119 GLU B C 3307 O O . GLU B 52 ? 0.4586 0.5161 0.4285 0.0081 -0.0032 -0.0012 119 GLU B O 3308 C CB . GLU B 52 ? 0.4278 0.4855 0.3975 0.0076 -0.0042 0.0009 119 GLU B CB 3309 C CG . GLU B 52 ? 0.4984 0.5564 0.4681 0.0071 -0.0049 0.0024 119 GLU B CG 3310 C CD . GLU B 52 ? 0.6039 0.6594 0.5735 0.0087 -0.0054 0.0033 119 GLU B CD 3311 O OE1 . GLU B 52 ? 0.5757 0.6284 0.5445 0.0099 -0.0052 0.0027 119 GLU B OE1 3312 O OE2 . GLU B 52 ? 0.6009 0.6571 0.5710 0.0087 -0.0060 0.0048 119 GLU B OE2 3313 N N . PRO B 53 ? 0.4881 0.5482 0.4590 0.0091 -0.0023 -0.0005 120 PRO B N 3314 C CA . PRO B 53 ? 0.4254 0.4848 0.3960 0.0091 -0.0020 -0.0016 120 PRO B CA 3315 C C . PRO B 53 ? 0.4134 0.4746 0.3850 0.0077 -0.0020 -0.0023 120 PRO B C 3316 O O . PRO B 53 ? 0.4318 0.4952 0.4041 0.0066 -0.0019 -0.0020 120 PRO B O 3317 C CB . PRO B 53 ? 0.4119 0.4722 0.3827 0.0099 -0.0014 -0.0013 120 PRO B CB 3318 C CG . PRO B 53 ? 0.4285 0.4915 0.4004 0.0096 -0.0013 -0.0003 120 PRO B CG 3319 C CD . PRO B 53 ? 0.4549 0.5170 0.4266 0.0095 -0.0020 0.0002 120 PRO B CD 3320 N N . TYR B 54 ? 0.4489 0.5092 0.4207 0.0076 -0.0020 -0.0031 121 TYR B N 3321 C CA . TYR B 54 ? 0.4174 0.4792 0.3905 0.0066 -0.0018 -0.0040 121 TYR B CA 3322 C C . TYR B 54 ? 0.4244 0.4849 0.3977 0.0070 -0.0019 -0.0045 121 TYR B C 3323 O O . TYR B 54 ? 0.4727 0.5312 0.4447 0.0079 -0.0022 -0.0042 121 TYR B O 3324 C CB . TYR B 54 ? 0.4129 0.4754 0.3868 0.0054 -0.0020 -0.0046 121 TYR B CB 3325 C CG . TYR B 54 ? 0.4213 0.4816 0.3948 0.0057 -0.0027 -0.0050 121 TYR B CG 3326 C CD1 . TYR B 54 ? 0.3753 0.4345 0.3477 0.0059 -0.0030 -0.0043 121 TYR B CD1 3327 C CD2 . TYR B 54 ? 0.3824 0.4420 0.3569 0.0056 -0.0030 -0.0060 121 TYR B CD2 3328 C CE1 . TYR B 54 ? 0.4064 0.4637 0.3783 0.0059 -0.0036 -0.0046 121 TYR B CE1 3329 C CE2 . TYR B 54 ? 0.4039 0.4617 0.3782 0.0057 -0.0037 -0.0062 121 TYR B CE2 3330 C CZ . TYR B 54 ? 0.4264 0.4832 0.3993 0.0058 -0.0040 -0.0056 121 TYR B CZ 3331 O OH . TYR B 54 ? 0.4174 0.4724 0.3898 0.0058 -0.0047 -0.0057 121 TYR B OH 3332 N N . VAL B 55 ? 0.4054 0.4669 0.3801 0.0062 -0.0018 -0.0054 122 VAL B N 3333 C CA . VAL B 55 ? 0.3877 0.4480 0.3629 0.0064 -0.0021 -0.0058 122 VAL B CA 3334 C C . VAL B 55 ? 0.3985 0.4589 0.3757 0.0058 -0.0025 -0.0069 122 VAL B C 3335 O O . VAL B 55 ? 0.4556 0.5179 0.4341 0.0049 -0.0020 -0.0077 122 VAL B O 3336 C CB . VAL B 55 ? 0.4382 0.4996 0.4136 0.0062 -0.0016 -0.0056 122 VAL B CB 3337 C CG1 . VAL B 55 ? 0.4915 0.5515 0.4673 0.0063 -0.0020 -0.0059 122 VAL B CG1 3338 C CG2 . VAL B 55 ? 0.4220 0.4838 0.3958 0.0069 -0.0011 -0.0045 122 VAL B CG2 3339 N N . SER B 56 ? 0.4183 0.4768 0.3959 0.0063 -0.0033 -0.0071 123 SER B N 3340 C CA . SER B 56 ? 0.4312 0.4897 0.4113 0.0059 -0.0037 -0.0082 123 SER B CA 3341 C C . SER B 56 ? 0.4969 0.5534 0.4772 0.0064 -0.0047 -0.0079 123 SER B C 3342 O O . SER B 56 ? 0.5134 0.5680 0.4914 0.0069 -0.0052 -0.0070 123 SER B O 3343 C CB . SER B 56 ? 0.4525 0.5109 0.4329 0.0057 -0.0041 -0.0086 123 SER B CB 3344 O OG . SER B 56 ? 0.4734 0.5325 0.4569 0.0053 -0.0043 -0.0098 123 SER B OG 3345 N N . CYS B 57 ? 0.5456 0.6022 0.5286 0.0062 -0.0050 -0.0088 124 CYS B N 3346 C CA . CYS B 57 ? 0.5344 0.5890 0.5180 0.0065 -0.0061 -0.0084 124 CYS B CA 3347 C C . CYS B 57 ? 0.5303 0.5843 0.5167 0.0067 -0.0072 -0.0091 124 CYS B C 3348 O O . CYS B 57 ? 0.5197 0.5753 0.5088 0.0064 -0.0067 -0.0104 124 CYS B O 3349 C CB . CYS B 57 ? 0.5861 0.6411 0.5709 0.0062 -0.0057 -0.0086 124 CYS B CB 3350 S SG . CYS B 57 ? 0.6566 0.7130 0.6386 0.0058 -0.0043 -0.0079 124 CYS B SG 3351 N N . SER B 58 ? 0.5197 0.5716 0.5053 0.0071 -0.0086 -0.0082 125 SER B N 3352 C CA . SER B 58 ? 0.5783 0.6294 0.5670 0.0073 -0.0101 -0.0085 125 SER B CA 3353 C C . SER B 58 ? 0.6315 0.6821 0.6225 0.0073 -0.0104 -0.0087 125 SER B C 3354 O O . SER B 58 ? 0.5436 0.5944 0.5333 0.0071 -0.0095 -0.0085 125 SER B O 3355 C CB . SER B 58 ? 0.5485 0.5973 0.5353 0.0076 -0.0117 -0.0073 125 SER B CB 3356 O OG . SER B 58 ? 0.4569 0.5039 0.4408 0.0075 -0.0121 -0.0060 125 SER B OG 3357 N N . PRO B 59 ? 0.7338 0.7837 0.7284 0.0077 -0.0116 -0.0091 126 PRO B N 3358 C CA . PRO B 59 ? 0.7231 0.7720 0.7200 0.0077 -0.0121 -0.0092 126 PRO B CA 3359 C C . PRO B 59 ? 0.7049 0.7513 0.6984 0.0075 -0.0131 -0.0073 126 PRO B C 3360 O O . PRO B 59 ? 0.7818 0.8277 0.7755 0.0073 -0.0129 -0.0071 126 PRO B O 3361 C CB . PRO B 59 ? 0.7089 0.7574 0.7103 0.0083 -0.0136 -0.0098 126 PRO B CB 3362 C CG . PRO B 59 ? 0.7725 0.8231 0.7750 0.0083 -0.0129 -0.0109 126 PRO B CG 3363 C CD . PRO B 59 ? 0.6944 0.7449 0.6920 0.0079 -0.0125 -0.0098 126 PRO B CD 3364 N N . GLY B 60 ? 0.7298 0.7748 0.7200 0.0075 -0.0141 -0.0059 127 GLY B N 3365 C CA . GLY B 60 ? 0.6238 0.6667 0.6104 0.0071 -0.0149 -0.0041 127 GLY B CA 3366 C C . GLY B 60 ? 0.6653 0.7088 0.6478 0.0068 -0.0133 -0.0038 127 GLY B C 3367 O O . GLY B 60 ? 0.7567 0.7992 0.7372 0.0063 -0.0132 -0.0028 127 GLY B O 3368 N N . LYS B 61 ? 0.6702 0.7153 0.6514 0.0069 -0.0119 -0.0044 128 LYS B N 3369 C CA . LYS B 61 ? 0.6801 0.7261 0.6581 0.0068 -0.0104 -0.0041 128 LYS B CA 3370 C C . LYS B 61 ? 0.5837 0.6319 0.5616 0.0070 -0.0088 -0.0049 128 LYS B C 3371 O O . LYS B 61 ? 0.5439 0.5929 0.5233 0.0072 -0.0089 -0.0057 128 LYS B O 3372 C CB . LYS B 61 ? 0.7052 0.7494 0.6792 0.0065 -0.0109 -0.0028 128 LYS B CB 3373 C CG . LYS B 61 ? 0.7920 0.8356 0.7642 0.0068 -0.0112 -0.0027 128 LYS B CG 3374 C CD . LYS B 61 ? 0.8808 0.9219 0.8495 0.0063 -0.0122 -0.0016 128 LYS B CD 3375 C CE . LYS B 61 ? 0.8923 0.9329 0.8591 0.0057 -0.0120 -0.0007 128 LYS B CE 3376 N NZ . LYS B 61 ? 0.8917 0.9299 0.8553 0.0050 -0.0133 0.0004 128 LYS B NZ 3377 N N . CYS B 62 ? 0.4656 0.5148 0.4415 0.0068 -0.0075 -0.0046 129 CYS B N 3378 C CA . CYS B 62 ? 0.5136 0.5648 0.4891 0.0070 -0.0062 -0.0051 129 CYS B CA 3379 C C . CYS B 62 ? 0.4978 0.5484 0.4704 0.0074 -0.0059 -0.0045 129 CYS B C 3380 O O . CYS B 62 ? 0.4094 0.4586 0.3795 0.0075 -0.0061 -0.0038 129 CYS B O 3381 C CB . CYS B 62 ? 0.5854 0.6384 0.5610 0.0066 -0.0050 -0.0051 129 CYS B CB 3382 S SG . CYS B 62 ? 0.7364 0.7904 0.7155 0.0060 -0.0050 -0.0062 129 CYS B SG 3383 N N . TYR B 63 ? 0.4521 0.5038 0.4250 0.0076 -0.0054 -0.0050 130 TYR B N 3384 C CA . TYR B 63 ? 0.4802 0.5311 0.4507 0.0081 -0.0052 -0.0046 130 TYR B CA 3385 C C . TYR B 63 ? 0.4719 0.5247 0.4425 0.0083 -0.0040 -0.0046 130 TYR B C 3386 O O . TYR B 63 ? 0.4808 0.5355 0.4533 0.0079 -0.0037 -0.0051 130 TYR B O 3387 C CB . TYR B 63 ? 0.5400 0.5896 0.5106 0.0082 -0.0061 -0.0049 130 TYR B CB 3388 C CG . TYR B 63 ? 0.5249 0.5723 0.4951 0.0080 -0.0075 -0.0046 130 TYR B CG 3389 C CD1 . TYR B 63 ? 0.5325 0.5802 0.5054 0.0078 -0.0084 -0.0049 130 TYR B CD1 3390 C CD2 . TYR B 63 ? 0.6145 0.6597 0.5816 0.0081 -0.0080 -0.0040 130 TYR B CD2 3391 C CE1 . TYR B 63 ? 0.5463 0.5920 0.5191 0.0076 -0.0100 -0.0045 130 TYR B CE1 3392 C CE2 . TYR B 63 ? 0.5670 0.6104 0.5336 0.0077 -0.0095 -0.0036 130 TYR B CE2 3393 C CZ . TYR B 63 ? 0.5896 0.6333 0.5592 0.0075 -0.0106 -0.0037 130 TYR B CZ 3394 O OH . TYR B 63 ? 0.6099 0.6518 0.5794 0.0072 -0.0123 -0.0031 130 TYR B OH 3395 N N . GLN B 64 ? 0.4496 0.5019 0.4181 0.0089 -0.0035 -0.0041 131 GLN B N 3396 C CA . GLN B 64 ? 0.4515 0.5053 0.4202 0.0092 -0.0027 -0.0040 131 GLN B CA 3397 C C . GLN B 64 ? 0.4264 0.4786 0.3941 0.0096 -0.0031 -0.0041 131 GLN B C 3398 O O . GLN B 64 ? 0.3754 0.4254 0.3415 0.0098 -0.0036 -0.0041 131 GLN B O 3399 C CB . GLN B 64 ? 0.4503 0.5050 0.4181 0.0097 -0.0017 -0.0034 131 GLN B CB 3400 C CG . GLN B 64 ? 0.5602 0.6131 0.5257 0.0102 -0.0015 -0.0033 131 GLN B CG 3401 C CD . GLN B 64 ? 0.5045 0.5589 0.4697 0.0106 -0.0004 -0.0029 131 GLN B CD 3402 O OE1 . GLN B 64 ? 0.6081 0.6635 0.5735 0.0101 -0.0001 -0.0027 131 GLN B OE1 3403 N NE2 . GLN B 64 ? 0.6207 0.6752 0.5855 0.0115 0.0002 -0.0028 131 GLN B NE2 3404 N N . PHE B 65 ? 0.3835 0.4369 0.3521 0.0094 -0.0030 -0.0040 132 PHE B N 3405 C CA . PHE B 65 ? 0.3592 0.4112 0.3271 0.0096 -0.0033 -0.0040 132 PHE B CA 3406 C C . PHE B 65 ? 0.3653 0.4181 0.3330 0.0100 -0.0028 -0.0034 132 PHE B C 3407 O O . PHE B 65 ? 0.3862 0.4412 0.3550 0.0099 -0.0023 -0.0030 132 PHE B O 3408 C CB . PHE B 65 ? 0.3813 0.4342 0.3508 0.0086 -0.0039 -0.0045 132 PHE B CB 3409 C CG . PHE B 65 ? 0.3602 0.4124 0.3305 0.0082 -0.0046 -0.0052 132 PHE B CG 3410 C CD1 . PHE B 65 ? 0.3751 0.4287 0.3471 0.0078 -0.0044 -0.0056 132 PHE B CD1 3411 C CD2 . PHE B 65 ? 0.3944 0.4447 0.3641 0.0082 -0.0054 -0.0054 132 PHE B CD2 3412 C CE1 . PHE B 65 ? 0.3955 0.4485 0.3689 0.0076 -0.0052 -0.0061 132 PHE B CE1 3413 C CE2 . PHE B 65 ? 0.3966 0.4465 0.3676 0.0078 -0.0063 -0.0059 132 PHE B CE2 3414 C CZ . PHE B 65 ? 0.3906 0.4418 0.3635 0.0076 -0.0062 -0.0062 132 PHE B CZ 3415 N N . ALA B 66 ? 0.3584 0.4093 0.3251 0.0105 -0.0031 -0.0033 133 ALA B N 3416 C CA . ALA B 66 ? 0.4132 0.4645 0.3800 0.0109 -0.0029 -0.0025 133 ALA B CA 3417 C C . ALA B 66 ? 0.4089 0.4578 0.3747 0.0111 -0.0034 -0.0025 133 ALA B C 3418 O O . ALA B 66 ? 0.4297 0.4764 0.3942 0.0112 -0.0037 -0.0031 133 ALA B O 3419 C CB . ALA B 66 ? 0.4246 0.4765 0.3914 0.0120 -0.0021 -0.0021 133 ALA B CB 3420 N N . LEU B 67 ? 0.3787 0.4277 0.3448 0.0113 -0.0035 -0.0018 134 LEU B N 3421 C CA . LEU B 67 ? 0.4193 0.4656 0.3844 0.0115 -0.0040 -0.0017 134 LEU B CA 3422 C C . LEU B 67 ? 0.4591 0.5037 0.4235 0.0130 -0.0035 -0.0016 134 LEU B C 3423 O O . LEU B 67 ? 0.4922 0.5380 0.4578 0.0138 -0.0032 -0.0008 134 LEU B O 3424 C CB . LEU B 67 ? 0.4200 0.4670 0.3857 0.0106 -0.0046 -0.0008 134 LEU B CB 3425 C CG . LEU B 67 ? 0.4348 0.4839 0.4013 0.0089 -0.0049 -0.0010 134 LEU B CG 3426 C CD1 . LEU B 67 ? 0.4491 0.4991 0.4159 0.0077 -0.0055 -0.0001 134 LEU B CD1 3427 C CD2 . LEU B 67 ? 0.4558 0.5034 0.4217 0.0083 -0.0053 -0.0020 134 LEU B CD2 3428 N N . GLY B 68 ? 0.4375 0.4794 0.4002 0.0135 -0.0034 -0.0024 135 GLY B N 3429 C CA . GLY B 68 ? 0.4339 0.4740 0.3960 0.0149 -0.0028 -0.0027 135 GLY B CA 3430 C C . GLY B 68 ? 0.4386 0.4769 0.4010 0.0154 -0.0032 -0.0021 135 GLY B C 3431 O O . GLY B 68 ? 0.4347 0.4726 0.3971 0.0144 -0.0042 -0.0016 135 GLY B O 3432 N N . GLN B 69 ? 0.4304 0.4675 0.3931 0.0169 -0.0025 -0.0023 136 GLN B N 3433 C CA . GLN B 69 ? 0.4415 0.4763 0.4046 0.0176 -0.0030 -0.0019 136 GLN B CA 3434 C C . GLN B 69 ? 0.4360 0.4670 0.3971 0.0182 -0.0026 -0.0031 136 GLN B C 3435 O O . GLN B 69 ? 0.4451 0.4739 0.4066 0.0193 -0.0025 -0.0031 136 GLN B O 3436 C CB . GLN B 69 ? 0.4719 0.5084 0.4375 0.0190 -0.0026 -0.0010 136 GLN B CB 3437 C CG . GLN B 69 ? 0.4947 0.5346 0.4619 0.0180 -0.0033 0.0004 136 GLN B CG 3438 C CD . GLN B 69 ? 0.4832 0.5220 0.4506 0.0172 -0.0046 0.0016 136 GLN B CD 3439 O OE1 . GLN B 69 ? 0.5064 0.5419 0.4725 0.0171 -0.0051 0.0013 136 GLN B OE1 3440 N NE2 . GLN B 69 ? 0.4967 0.5381 0.4655 0.0166 -0.0053 0.0030 136 GLN B NE2 3441 N N . GLY B 70 ? 0.4944 0.5246 0.4534 0.0175 -0.0023 -0.0042 137 GLY B N 3442 C CA . GLY B 70 ? 0.5003 0.5268 0.4569 0.0177 -0.0021 -0.0055 137 GLY B CA 3443 C C . GLY B 70 ? 0.4694 0.4951 0.4261 0.0193 -0.0006 -0.0065 137 GLY B C 3444 O O . GLY B 70 ? 0.4767 0.4992 0.4321 0.0198 -0.0002 -0.0075 137 GLY B O 3445 N N . THR B 71 ? 0.4670 0.4957 0.4251 0.0200 0.0003 -0.0063 138 THR B N 3446 C CA . THR B 71 ? 0.4742 0.5029 0.4330 0.0215 0.0018 -0.0073 138 THR B CA 3447 C C . THR B 71 ? 0.4930 0.5254 0.4528 0.0216 0.0027 -0.0071 138 THR B C 3448 O O . THR B 71 ? 0.4642 0.4994 0.4251 0.0208 0.0021 -0.0059 138 THR B O 3449 C CB . THR B 71 ? 0.4848 0.5130 0.4464 0.0231 0.0018 -0.0067 138 THR B CB 3450 O OG1 . THR B 71 ? 0.4741 0.5023 0.4367 0.0248 0.0035 -0.0079 138 THR B OG1 3451 C CG2 . THR B 71 ? 0.4747 0.5060 0.4391 0.0231 0.0009 -0.0048 138 THR B CG2 3452 N N . THR B 72 ? 0.4506 0.4831 0.4100 0.0224 0.0044 -0.0083 139 THR B N 3453 C CA . THR B 72 ? 0.4300 0.4660 0.3907 0.0228 0.0055 -0.0082 139 THR B CA 3454 C C . THR B 72 ? 0.4192 0.4570 0.3838 0.0245 0.0059 -0.0076 139 THR B C 3455 O O . THR B 72 ? 0.4585 0.4945 0.4245 0.0255 0.0054 -0.0074 139 THR B O 3456 C CB . THR B 72 ? 0.4527 0.4882 0.4111 0.0226 0.0071 -0.0099 139 THR B CB 3457 O OG1 . THR B 72 ? 0.4749 0.5074 0.4325 0.0235 0.0081 -0.0114 139 THR B OG1 3458 C CG2 . THR B 72 ? 0.4751 0.5098 0.4301 0.0207 0.0064 -0.0099 139 THR B CG2 3459 N N . LEU B 73 ? 0.4327 0.4742 0.3992 0.0247 0.0066 -0.0072 140 LEU B N 3460 C CA . LEU B 73 ? 0.4906 0.5345 0.4611 0.0262 0.0067 -0.0063 140 LEU B CA 3461 C C . LEU B 73 ? 0.5389 0.5822 0.5112 0.0281 0.0083 -0.0076 140 LEU B C 3462 O O . LEU B 73 ? 0.5628 0.6053 0.5378 0.0296 0.0079 -0.0072 140 LEU B O 3463 C CB . LEU B 73 ? 0.3865 0.4344 0.3583 0.0256 0.0068 -0.0053 140 LEU B CB 3464 C CG . LEU B 73 ? 0.4042 0.4560 0.3798 0.0266 0.0071 -0.0044 140 LEU B CG 3465 C CD1 . LEU B 73 ? 0.4208 0.4727 0.3993 0.0287 0.0083 -0.0052 140 LEU B CD1 3466 C CD2 . LEU B 73 ? 0.4037 0.4574 0.3811 0.0260 0.0054 -0.0024 140 LEU B CD2 3467 N N . ASN B 74 ? 0.5221 0.5653 0.4925 0.0280 0.0101 -0.0093 141 ASN B N 3468 C CA . ASN B 74 ? 0.4958 0.5380 0.4674 0.0297 0.0119 -0.0111 141 ASN B CA 3469 C C . ASN B 74 ? 0.5531 0.5903 0.5221 0.0298 0.0119 -0.0125 141 ASN B C 3470 O O . ASN B 74 ? 0.5575 0.5930 0.5231 0.0289 0.0130 -0.0142 141 ASN B O 3471 C CB . ASN B 74 ? 0.3892 0.4336 0.3597 0.0292 0.0139 -0.0124 141 ASN B CB 3472 C CG . ASN B 74 ? 0.4550 0.4998 0.4278 0.0310 0.0161 -0.0142 141 ASN B CG 3473 O OD1 . ASN B 74 ? 0.4079 0.4518 0.3841 0.0330 0.0160 -0.0143 141 ASN B OD1 3474 N ND2 . ASN B 74 ? 0.4330 0.4788 0.4039 0.0303 0.0181 -0.0158 141 ASN B ND2 3475 N N . ASN B 75 ? 0.5203 0.5553 0.4908 0.0305 0.0104 -0.0116 142 ASN B N 3476 C CA . ASN B 75 ? 0.4693 0.4996 0.4374 0.0302 0.0098 -0.0123 142 ASN B CA 3477 C C . ASN B 75 ? 0.4827 0.5120 0.4541 0.0315 0.0084 -0.0110 142 ASN B C 3478 O O . ASN B 75 ? 0.5010 0.5325 0.4745 0.0313 0.0069 -0.0088 142 ASN B O 3479 C CB . ASN B 75 ? 0.4802 0.5098 0.4446 0.0279 0.0083 -0.0115 142 ASN B CB 3480 C CG . ASN B 75 ? 0.4324 0.4574 0.3938 0.0271 0.0076 -0.0123 142 ASN B CG 3481 O OD1 . ASN B 75 ? 0.4922 0.5144 0.4546 0.0281 0.0072 -0.0124 142 ASN B OD1 3482 N ND2 . ASN B 75 ? 0.4632 0.4874 0.4208 0.0253 0.0073 -0.0128 142 ASN B ND2 3483 N N . LYS B 76 ? 0.4953 0.5209 0.4672 0.0327 0.0087 -0.0121 143 LYS B N 3484 C CA . LYS B 76 ? 0.5445 0.5687 0.5197 0.0340 0.0072 -0.0106 143 LYS B CA 3485 C C . LYS B 76 ? 0.5601 0.5830 0.5338 0.0324 0.0048 -0.0086 143 LYS B C 3486 O O . LYS B 76 ? 0.5617 0.5850 0.5383 0.0330 0.0033 -0.0067 143 LYS B O 3487 C CB . LYS B 76 ? 0.6294 0.6494 0.6054 0.0356 0.0080 -0.0124 143 LYS B CB 3488 C CG . LYS B 76 ? 0.7076 0.7296 0.6870 0.0377 0.0102 -0.0139 143 LYS B CG 3489 C CD . LYS B 76 ? 0.8889 0.9069 0.8691 0.0393 0.0114 -0.0161 143 LYS B CD 3490 C CE . LYS B 76 ? 1.0250 1.0457 1.0089 0.0414 0.0138 -0.0177 143 LYS B CE 3491 N NZ . LYS B 76 ? 1.1254 1.1423 1.1103 0.0430 0.0153 -0.0203 143 LYS B NZ 3492 N N . HIS B 77 ? 0.5447 0.5666 0.5144 0.0304 0.0044 -0.0089 144 HIS B N 3493 C CA . HIS B 77 ? 0.5530 0.5745 0.5217 0.0288 0.0023 -0.0071 144 HIS B CA 3494 C C . HIS B 77 ? 0.5168 0.5427 0.4872 0.0281 0.0014 -0.0051 144 HIS B C 3495 O O . HIS B 77 ? 0.4712 0.4973 0.4411 0.0268 -0.0001 -0.0036 144 HIS B O 3496 C CB . HIS B 77 ? 0.5894 0.6091 0.5537 0.0267 0.0020 -0.0079 144 HIS B CB 3497 C CG . HIS B 77 ? 0.5935 0.6085 0.5555 0.0269 0.0025 -0.0097 144 HIS B CG 3498 N ND1 . HIS B 77 ? 0.5756 0.5898 0.5359 0.0272 0.0043 -0.0119 144 HIS B ND1 3499 C CD2 . HIS B 77 ? 0.5372 0.5482 0.4983 0.0265 0.0014 -0.0096 144 HIS B CD2 3500 C CE1 . HIS B 77 ? 0.5527 0.5625 0.5111 0.0271 0.0044 -0.0132 144 HIS B CE1 3501 N NE2 . HIS B 77 ? 0.5421 0.5499 0.5010 0.0267 0.0026 -0.0118 144 HIS B NE2 3502 N N . SER B 78 ? 0.5561 0.5857 0.5284 0.0289 0.0025 -0.0051 145 SER B N 3503 C CA . SER B 78 ? 0.5331 0.5670 0.5071 0.0282 0.0017 -0.0033 145 SER B CA 3504 C C . SER B 78 ? 0.5302 0.5647 0.5076 0.0290 0.0004 -0.0013 145 SER B C 3505 O O . SER B 78 ? 0.5438 0.5813 0.5222 0.0281 -0.0006 0.0003 145 SER B O 3506 C CB . SER B 78 ? 0.4985 0.5362 0.4735 0.0286 0.0033 -0.0039 145 SER B CB 3507 O OG . SER B 78 ? 0.4171 0.4555 0.3955 0.0307 0.0043 -0.0043 145 SER B OG 3508 N N . ASN B 79 ? 0.5731 0.6048 0.5523 0.0307 0.0004 -0.0016 146 ASN B N 3509 C CA . ASN B 79 ? 0.6229 0.6547 0.6055 0.0317 -0.0010 0.0002 146 ASN B CA 3510 C C . ASN B 79 ? 0.6268 0.6576 0.6079 0.0298 -0.0032 0.0021 146 ASN B C 3511 O O . ASN B 79 ? 0.6200 0.6474 0.5981 0.0288 -0.0035 0.0015 146 ASN B O 3512 C CB . ASN B 79 ? 0.6434 0.6716 0.6279 0.0338 -0.0006 -0.0006 146 ASN B CB 3513 C CG . ASN B 79 ? 0.7176 0.7462 0.7066 0.0353 -0.0020 0.0013 146 ASN B CG 3514 O OD1 . ASN B 79 ? 0.6947 0.7253 0.6847 0.0344 -0.0038 0.0037 146 ASN B OD1 3515 N ND2 . ASN B 79 ? 0.9148 0.9412 0.9066 0.0377 -0.0013 0.0002 146 ASN B ND2 3516 N N . GLY B 80 ? 0.5737 0.6073 0.5564 0.0291 -0.0045 0.0043 147 GLY B N 3517 C CA . GLY B 80 ? 0.5437 0.5763 0.5248 0.0271 -0.0065 0.0061 147 GLY B CA 3518 C C . GLY B 80 ? 0.5567 0.5913 0.5348 0.0247 -0.0065 0.0059 147 GLY B C 3519 O O . GLY B 80 ? 0.5415 0.5752 0.5180 0.0229 -0.0077 0.0069 147 GLY B O 3520 N N . THR B 81 ? 0.5086 0.5459 0.4862 0.0246 -0.0050 0.0047 148 THR B N 3521 C CA . THR B 81 ? 0.5319 0.5708 0.5071 0.0225 -0.0050 0.0044 148 THR B CA 3522 C C . THR B 81 ? 0.5700 0.6124 0.5458 0.0209 -0.0060 0.0061 148 THR B C 3523 O O . THR B 81 ? 0.5637 0.6077 0.5379 0.0193 -0.0058 0.0057 148 THR B O 3524 C CB . THR B 81 ? 0.5142 0.5541 0.4883 0.0229 -0.0032 0.0025 148 THR B CB 3525 O OG1 . THR B 81 ? 0.5091 0.5513 0.4857 0.0245 -0.0023 0.0024 148 THR B OG1 3526 C CG2 . THR B 81 ? 0.5184 0.5543 0.4903 0.0234 -0.0025 0.0008 148 THR B CG2 3527 N N . ILE B 82 ? 0.5709 0.6144 0.5491 0.0213 -0.0070 0.0079 149 ILE B N 3528 C CA . ILE B 82 ? 0.5999 0.6460 0.5780 0.0194 -0.0083 0.0097 149 ILE B CA 3529 C C . ILE B 82 ? 0.5865 0.6307 0.5620 0.0173 -0.0093 0.0100 149 ILE B C 3530 O O . ILE B 82 ? 0.6612 0.7077 0.6357 0.0152 -0.0096 0.0105 149 ILE B O 3531 C CB . ILE B 82 ? 0.6731 0.7206 0.6541 0.0201 -0.0096 0.0119 149 ILE B CB 3532 C CG1 . ILE B 82 ? 0.6579 0.7088 0.6385 0.0177 -0.0107 0.0135 149 ILE B CG1 3533 C CG2 . ILE B 82 ? 0.6814 0.7249 0.6630 0.0209 -0.0109 0.0129 149 ILE B CG2 3534 C CD1 . ILE B 82 ? 0.6986 0.7517 0.6821 0.0183 -0.0119 0.0157 149 ILE B CD1 3535 N N . HIS B 83 ? 0.5622 0.6023 0.5368 0.0177 -0.0097 0.0097 150 HIS B N 3536 C CA . HIS B 83 ? 0.6403 0.6786 0.6125 0.0156 -0.0105 0.0099 150 HIS B CA 3537 C C . HIS B 83 ? 0.5975 0.6370 0.5677 0.0143 -0.0095 0.0083 150 HIS B C 3538 O O . HIS B 83 ? 0.6145 0.6537 0.5843 0.0153 -0.0083 0.0066 150 HIS B O 3539 C CB . HIS B 83 ? 0.7237 0.7571 0.6952 0.0163 -0.0111 0.0099 150 HIS B CB 3540 C CG . HIS B 83 ? 0.9929 1.0250 0.9667 0.0176 -0.0123 0.0117 150 HIS B CG 3541 N ND1 . HIS B 83 ? 1.1523 1.1858 1.1268 0.0163 -0.0140 0.0141 150 HIS B ND1 3542 C CD2 . HIS B 83 ? 1.0289 1.0586 1.0047 0.0201 -0.0121 0.0114 150 HIS B CD2 3543 C CE1 . HIS B 83 ? 1.0365 1.0683 1.0134 0.0180 -0.0149 0.0154 150 HIS B CE1 3544 N NE2 . HIS B 83 ? 1.2067 1.2363 1.1847 0.0204 -0.0138 0.0137 150 HIS B NE2 3545 N N . ASP B 84 ? 0.5690 0.6100 0.5381 0.0120 -0.0101 0.0088 151 ASP B N 3546 C CA . ASP B 84 ? 0.5847 0.6276 0.5526 0.0105 -0.0093 0.0075 151 ASP B CA 3547 C C . ASP B 84 ? 0.5066 0.5467 0.4727 0.0101 -0.0092 0.0062 151 ASP B C 3548 O O . ASP B 84 ? 0.5263 0.5673 0.4918 0.0097 -0.0084 0.0047 151 ASP B O 3549 C CB . ASP B 84 ? 0.6357 0.6815 0.6033 0.0081 -0.0099 0.0084 151 ASP B CB 3550 C CG . ASP B 84 ? 0.7499 0.7990 0.7190 0.0081 -0.0101 0.0097 151 ASP B CG 3551 O OD1 . ASP B 84 ? 0.8708 0.9214 0.8411 0.0095 -0.0093 0.0091 151 ASP B OD1 3552 O OD2 . ASP B 84 ? 0.9966 1.0469 0.9656 0.0065 -0.0111 0.0113 151 ASP B OD2 3553 N N . ARG B 85 ? 0.4706 0.5075 0.4358 0.0098 -0.0101 0.0067 152 ARG B N 3554 C CA . ARG B 85 ? 0.5157 0.5506 0.4792 0.0087 -0.0102 0.0057 152 ARG B CA 3555 C C . ARG B 85 ? 0.4647 0.4952 0.4274 0.0100 -0.0104 0.0053 152 ARG B C 3556 O O . ARG B 85 ? 0.5413 0.5694 0.5038 0.0098 -0.0113 0.0064 152 ARG B O 3557 C CB . ARG B 85 ? 0.4906 0.5264 0.4533 0.0061 -0.0111 0.0066 152 ARG B CB 3558 C CG . ARG B 85 ? 0.4925 0.5327 0.4557 0.0047 -0.0105 0.0065 152 ARG B CG 3559 C CD . ARG B 85 ? 0.5191 0.5606 0.4814 0.0019 -0.0111 0.0071 152 ARG B CD 3560 N NE . ARG B 85 ? 0.5566 0.5966 0.5186 0.0013 -0.0124 0.0092 152 ARG B NE 3561 C CZ . ARG B 85 ? 0.5570 0.5984 0.5196 0.0013 -0.0130 0.0109 152 ARG B CZ 3562 N NH1 . ARG B 85 ? 0.5450 0.5898 0.5087 0.0016 -0.0124 0.0106 152 ARG B NH1 3563 N NH2 . ARG B 85 ? 0.5312 0.5707 0.4935 0.0008 -0.0144 0.0128 152 ARG B NH2 3564 N N . ILE B 86 ? 0.4605 0.4899 0.4225 0.0110 -0.0095 0.0036 153 ILE B N 3565 C CA . ILE B 86 ? 0.4847 0.5099 0.4455 0.0118 -0.0095 0.0027 153 ILE B CA 3566 C C . ILE B 86 ? 0.4953 0.5200 0.4543 0.0109 -0.0092 0.0012 153 ILE B C 3567 O O . ILE B 86 ? 0.4585 0.4862 0.4178 0.0103 -0.0087 0.0006 153 ILE B O 3568 C CB . ILE B 86 ? 0.5325 0.5563 0.4941 0.0143 -0.0086 0.0021 153 ILE B CB 3569 C CG1 . ILE B 86 ? 0.5349 0.5613 0.4969 0.0151 -0.0073 0.0010 153 ILE B CG1 3570 C CG2 . ILE B 86 ? 0.5012 0.5251 0.4649 0.0153 -0.0091 0.0037 153 ILE B CG2 3571 C CD1 . ILE B 86 ? 0.4932 0.5181 0.4556 0.0173 -0.0062 0.0000 153 ILE B CD1 3572 N N . PRO B 87 ? 0.5033 0.5244 0.4607 0.0106 -0.0095 0.0005 154 PRO B N 3573 C CA . PRO B 87 ? 0.4954 0.5160 0.4512 0.0097 -0.0095 -0.0007 154 PRO B CA 3574 C C . PRO B 87 ? 0.5138 0.5351 0.4692 0.0108 -0.0085 -0.0021 154 PRO B C 3575 O O . PRO B 87 ? 0.5992 0.6211 0.5537 0.0099 -0.0085 -0.0029 154 PRO B O 3576 C CB . PRO B 87 ? 0.5836 0.5997 0.5376 0.0094 -0.0101 -0.0011 154 PRO B CB 3577 C CG . PRO B 87 ? 0.5356 0.5500 0.4905 0.0098 -0.0107 0.0002 154 PRO B CG 3578 C CD . PRO B 87 ? 0.5069 0.5240 0.4639 0.0113 -0.0101 0.0009 154 PRO B CD 3579 N N . HIS B 88 ? 0.5337 0.5551 0.4899 0.0125 -0.0076 -0.0022 155 HIS B N 3580 C CA . HIS B 88 ? 0.4989 0.5206 0.4542 0.0134 -0.0065 -0.0034 155 HIS B CA 3581 C C . HIS B 88 ? 0.5404 0.5662 0.4971 0.0133 -0.0061 -0.0032 155 HIS B C 3582 O O . HIS B 88 ? 0.5021 0.5284 0.4581 0.0137 -0.0054 -0.0041 155 HIS B O 3583 C CB . HIS B 88 ? 0.4843 0.5040 0.4396 0.0152 -0.0056 -0.0040 155 HIS B CB 3584 C CG . HIS B 88 ? 0.5180 0.5336 0.4725 0.0154 -0.0061 -0.0041 155 HIS B CG 3585 N ND1 . HIS B 88 ? 0.5676 0.5804 0.5198 0.0142 -0.0067 -0.0049 155 HIS B ND1 3586 C CD2 . HIS B 88 ? 0.5334 0.5475 0.4893 0.0163 -0.0064 -0.0033 155 HIS B CD2 3587 C CE1 . HIS B 88 ? 0.5742 0.5836 0.5261 0.0144 -0.0072 -0.0047 155 HIS B CE1 3588 N NE2 . HIS B 88 ? 0.5792 0.5892 0.5334 0.0157 -0.0071 -0.0037 155 HIS B NE2 3589 N N . ARG B 89 ? 0.4891 0.5177 0.4474 0.0125 -0.0065 -0.0021 156 ARG B N 3590 C CA . ARG B 89 ? 0.4846 0.5169 0.4442 0.0123 -0.0061 -0.0020 156 ARG B CA 3591 C C . ARG B 89 ? 0.4395 0.4724 0.3984 0.0111 -0.0064 -0.0028 156 ARG B C 3592 O O . ARG B 89 ? 0.4425 0.4747 0.4010 0.0099 -0.0072 -0.0029 156 ARG B O 3593 C CB . ARG B 89 ? 0.4767 0.5119 0.4380 0.0116 -0.0064 -0.0008 156 ARG B CB 3594 C CG . ARG B 89 ? 0.5389 0.5738 0.5013 0.0127 -0.0064 0.0002 156 ARG B CG 3595 C CD . ARG B 89 ? 0.4969 0.5353 0.4610 0.0123 -0.0065 0.0013 156 ARG B CD 3596 N NE . ARG B 89 ? 0.4206 0.4617 0.3857 0.0129 -0.0056 0.0009 156 ARG B NE 3597 C CZ . ARG B 89 ? 0.4835 0.5278 0.4500 0.0125 -0.0055 0.0018 156 ARG B CZ 3598 N NH1 . ARG B 89 ? 0.4631 0.5084 0.4302 0.0115 -0.0063 0.0031 156 ARG B NH1 3599 N NH2 . ARG B 89 ? 0.5264 0.5729 0.4936 0.0131 -0.0047 0.0014 156 ARG B NH2 3600 N N . THR B 90 ? 0.3966 0.4310 0.3556 0.0115 -0.0058 -0.0033 157 THR B N 3601 C CA . THR B 90 ? 0.4702 0.5052 0.4288 0.0106 -0.0062 -0.0040 157 THR B CA 3602 C C . THR B 90 ? 0.4618 0.5000 0.4221 0.0106 -0.0057 -0.0038 157 THR B C 3603 O O . THR B 90 ? 0.4516 0.4910 0.4125 0.0114 -0.0050 -0.0035 157 THR B O 3604 C CB . THR B 90 ? 0.4773 0.5097 0.4336 0.0110 -0.0061 -0.0048 157 THR B CB 3605 O OG1 . THR B 90 ? 0.4879 0.5202 0.4437 0.0122 -0.0050 -0.0050 157 THR B OG1 3606 C CG2 . THR B 90 ? 0.4423 0.4714 0.3969 0.0107 -0.0066 -0.0052 157 THR B CG2 3607 N N . LEU B 91 ? 0.4480 0.4875 0.4092 0.0096 -0.0062 -0.0041 158 LEU B N 3608 C CA . LEU B 91 ? 0.4554 0.4976 0.4181 0.0095 -0.0058 -0.0042 158 LEU B CA 3609 C C . LEU B 91 ? 0.4631 0.5044 0.4246 0.0101 -0.0056 -0.0045 158 LEU B C 3610 O O . LEU B 91 ? 0.4989 0.5386 0.4593 0.0097 -0.0063 -0.0049 158 LEU B O 3611 C CB . LEU B 91 ? 0.4532 0.4971 0.4176 0.0083 -0.0064 -0.0045 158 LEU B CB 3612 C CG . LEU B 91 ? 0.4557 0.5019 0.4218 0.0081 -0.0061 -0.0048 158 LEU B CG 3613 C CD1 . LEU B 91 ? 0.4400 0.4884 0.4069 0.0084 -0.0052 -0.0043 158 LEU B CD1 3614 C CD2 . LEU B 91 ? 0.4422 0.4899 0.4104 0.0070 -0.0066 -0.0054 158 LEU B CD2 3615 N N . LEU B 92 ? 0.4554 0.4979 0.4171 0.0108 -0.0048 -0.0043 159 LEU B N 3616 C CA . LEU B 92 ? 0.4869 0.5290 0.4475 0.0112 -0.0044 -0.0045 159 LEU B CA 3617 C C . LEU B 92 ? 0.4668 0.5107 0.4288 0.0106 -0.0046 -0.0045 159 LEU B C 3618 O O . LEU B 92 ? 0.4949 0.5412 0.4589 0.0103 -0.0044 -0.0043 159 LEU B O 3619 C CB . LEU B 92 ? 0.4847 0.5273 0.4450 0.0122 -0.0032 -0.0043 159 LEU B CB 3620 C CG . LEU B 92 ? 0.5139 0.5547 0.4732 0.0131 -0.0028 -0.0043 159 LEU B CG 3621 C CD1 . LEU B 92 ? 0.5248 0.5667 0.4847 0.0142 -0.0017 -0.0041 159 LEU B CD1 3622 C CD2 . LEU B 92 ? 0.5696 0.6072 0.5264 0.0130 -0.0031 -0.0050 159 LEU B CD2 3623 N N . MET B 93 ? 0.4692 0.5120 0.4302 0.0103 -0.0051 -0.0046 160 MET B N 3624 C CA . MET B 93 ? 0.4867 0.5308 0.4491 0.0098 -0.0055 -0.0046 160 MET B CA 3625 C C . MET B 93 ? 0.5020 0.5452 0.4626 0.0098 -0.0054 -0.0043 160 MET B C 3626 O O . MET B 93 ? 0.4969 0.5380 0.4552 0.0097 -0.0058 -0.0044 160 MET B O 3627 C CB . MET B 93 ? 0.4390 0.4825 0.4024 0.0091 -0.0069 -0.0048 160 MET B CB 3628 C CG . MET B 93 ? 0.4490 0.4934 0.4144 0.0087 -0.0075 -0.0049 160 MET B CG 3629 S SD . MET B 93 ? 0.5320 0.5761 0.4994 0.0080 -0.0090 -0.0053 160 MET B SD 3630 C CE . MET B 93 ? 0.4964 0.5418 0.4667 0.0078 -0.0095 -0.0053 160 MET B CE 3631 N N . SER B 94 ? 0.5184 0.5633 0.4800 0.0098 -0.0048 -0.0041 161 SER B N 3632 C CA . SER B 94 ? 0.5220 0.5663 0.4818 0.0096 -0.0046 -0.0038 161 SER B CA 3633 C C . SER B 94 ? 0.5155 0.5612 0.4771 0.0092 -0.0047 -0.0035 161 SER B C 3634 O O . SER B 94 ? 0.5280 0.5757 0.4920 0.0092 -0.0045 -0.0037 161 SER B O 3635 C CB . SER B 94 ? 0.5246 0.5693 0.4831 0.0103 -0.0031 -0.0038 161 SER B CB 3636 O OG . SER B 94 ? 0.4751 0.5207 0.4330 0.0102 -0.0023 -0.0035 161 SER B OG 3637 N N . GLU B 95 ? 0.5095 0.5542 0.4699 0.0086 -0.0052 -0.0031 162 GLU B N 3638 C CA . GLU B 95 ? 0.5491 0.5949 0.5111 0.0081 -0.0054 -0.0028 162 GLU B CA 3639 C C . GLU B 95 ? 0.5148 0.5630 0.4775 0.0084 -0.0039 -0.0028 162 GLU B C 3640 O O . GLU B 95 ? 0.4699 0.5184 0.4311 0.0088 -0.0028 -0.0028 162 GLU B O 3641 C CB . GLU B 95 ? 0.5407 0.5849 0.5009 0.0074 -0.0061 -0.0021 162 GLU B CB 3642 C CG . GLU B 95 ? 0.6810 0.7230 0.6404 0.0070 -0.0079 -0.0019 162 GLU B CG 3643 C CD . GLU B 95 ? 0.8224 0.8627 0.7802 0.0060 -0.0089 -0.0009 162 GLU B CD 3644 O OE1 . GLU B 95 ? 0.8997 0.9408 0.8576 0.0056 -0.0084 -0.0005 162 GLU B OE1 3645 O OE2 . GLU B 95 ? 0.8655 0.9038 0.8220 0.0055 -0.0104 -0.0005 162 GLU B OE2 3646 N N . LEU B 96 ? 0.4429 0.4928 0.4082 0.0081 -0.0039 -0.0030 163 LEU B N 3647 C CA . LEU B 96 ? 0.4569 0.5092 0.4231 0.0081 -0.0027 -0.0029 163 LEU B CA 3648 C C . LEU B 96 ? 0.4320 0.4845 0.3964 0.0079 -0.0019 -0.0024 163 LEU B C 3649 O O . LEU B 96 ? 0.4997 0.5510 0.4632 0.0073 -0.0025 -0.0020 163 LEU B O 3650 C CB . LEU B 96 ? 0.4480 0.5016 0.4168 0.0076 -0.0029 -0.0033 163 LEU B CB 3651 C CG . LEU B 96 ? 0.4517 0.5081 0.4215 0.0074 -0.0017 -0.0033 163 LEU B CG 3652 C CD1 . LEU B 96 ? 0.4420 0.4998 0.4122 0.0078 -0.0012 -0.0034 163 LEU B CD1 3653 C CD2 . LEU B 96 ? 0.4905 0.5478 0.4625 0.0066 -0.0019 -0.0038 163 LEU B CD2 3654 N N . GLY B 97 ? 0.4318 0.4857 0.3957 0.0085 -0.0007 -0.0023 164 GLY B N 3655 C CA . GLY B 97 ? 0.4472 0.5017 0.4096 0.0084 0.0002 -0.0020 164 GLY B CA 3656 C C . GLY B 97 ? 0.4965 0.5494 0.4563 0.0088 0.0006 -0.0021 164 GLY B C 3657 O O . GLY B 97 ? 0.4917 0.5455 0.4503 0.0089 0.0018 -0.0021 164 GLY B O 3658 N N . VAL B 98 ? 0.4665 0.5171 0.4252 0.0090 -0.0002 -0.0024 165 VAL B N 3659 C CA . VAL B 98 ? 0.4153 0.4642 0.3714 0.0093 0.0001 -0.0027 165 VAL B CA 3660 C C . VAL B 98 ? 0.4132 0.4627 0.3703 0.0106 0.0008 -0.0032 165 VAL B C 3661 O O . VAL B 98 ? 0.4682 0.5174 0.4267 0.0109 0.0001 -0.0033 165 VAL B O 3662 C CB . VAL B 98 ? 0.4359 0.4819 0.3902 0.0088 -0.0012 -0.0027 165 VAL B CB 3663 C CG1 . VAL B 98 ? 0.4127 0.4569 0.3642 0.0090 -0.0007 -0.0033 165 VAL B CG1 3664 C CG2 . VAL B 98 ? 0.4275 0.4727 0.3807 0.0075 -0.0021 -0.0021 165 VAL B CG2 3665 N N . PRO B 99 ? 0.4774 0.5278 0.4341 0.0113 0.0022 -0.0035 166 PRO B N 3666 C CA . PRO B 99 ? 0.4712 0.5221 0.4293 0.0125 0.0027 -0.0037 166 PRO B CA 3667 C C . PRO B 99 ? 0.4760 0.5241 0.4328 0.0128 0.0021 -0.0042 166 PRO B C 3668 O O . PRO B 99 ? 0.5262 0.5720 0.4806 0.0122 0.0015 -0.0045 166 PRO B O 3669 C CB . PRO B 99 ? 0.4660 0.5183 0.4241 0.0132 0.0044 -0.0040 166 PRO B CB 3670 C CG . PRO B 99 ? 0.4840 0.5365 0.4402 0.0122 0.0049 -0.0040 166 PRO B CG 3671 C CD . PRO B 99 ? 0.4747 0.5258 0.4299 0.0109 0.0034 -0.0035 166 PRO B CD 3672 N N . PHE B 100 ? 0.4452 0.4934 0.4034 0.0138 0.0021 -0.0043 167 PHE B N 3673 C CA . PHE B 100 ? 0.4785 0.5242 0.4357 0.0141 0.0015 -0.0047 167 PHE B CA 3674 C C . PHE B 100 ? 0.4575 0.5016 0.4129 0.0147 0.0026 -0.0056 167 PHE B C 3675 O O . PHE B 100 ? 0.4376 0.4817 0.3940 0.0159 0.0033 -0.0058 167 PHE B O 3676 C CB . PHE B 100 ? 0.4588 0.5050 0.4182 0.0146 0.0010 -0.0043 167 PHE B CB 3677 C CG . PHE B 100 ? 0.4701 0.5178 0.4311 0.0137 0.0000 -0.0038 167 PHE B CG 3678 C CD1 . PHE B 100 ? 0.4635 0.5100 0.4238 0.0128 -0.0010 -0.0039 167 PHE B CD1 3679 C CD2 . PHE B 100 ? 0.4453 0.4957 0.4086 0.0138 0.0002 -0.0032 167 PHE B CD2 3680 C CE1 . PHE B 100 ? 0.4301 0.4781 0.3923 0.0120 -0.0017 -0.0037 167 PHE B CE1 3681 C CE2 . PHE B 100 ? 0.4487 0.5004 0.4133 0.0129 -0.0004 -0.0029 167 PHE B CE2 3682 C CZ . PHE B 100 ? 0.5062 0.5567 0.4704 0.0121 -0.0013 -0.0033 167 PHE B CZ 3683 N N . HIS B 101 ? 0.5111 0.5537 0.4637 0.0139 0.0027 -0.0060 168 HIS B N 3684 C CA . HIS B 101 ? 0.5318 0.5726 0.4819 0.0142 0.0039 -0.0071 168 HIS B CA 3685 C C . HIS B 101 ? 0.5256 0.5630 0.4735 0.0139 0.0030 -0.0077 168 HIS B C 3686 O O . HIS B 101 ? 0.5581 0.5948 0.5067 0.0135 0.0015 -0.0072 168 HIS B O 3687 C CB . HIS B 101 ? 0.5682 0.6095 0.5161 0.0132 0.0046 -0.0072 168 HIS B CB 3688 C CG . HIS B 101 ? 0.5534 0.5934 0.4994 0.0116 0.0031 -0.0066 168 HIS B CG 3689 N ND1 . HIS B 101 ? 0.6623 0.6996 0.6052 0.0107 0.0023 -0.0070 168 HIS B ND1 3690 C CD2 . HIS B 101 ? 0.5852 0.6264 0.5323 0.0109 0.0020 -0.0056 168 HIS B CD2 3691 C CE1 . HIS B 101 ? 0.6066 0.6435 0.5489 0.0095 0.0008 -0.0062 168 HIS B CE1 3692 N NE2 . HIS B 101 ? 0.4895 0.5286 0.4343 0.0096 0.0006 -0.0054 168 HIS B NE2 3693 N N . LEU B 102 ? 0.4791 0.5145 0.4244 0.0139 0.0040 -0.0089 169 LEU B N 3694 C CA . LEU B 102 ? 0.5300 0.5620 0.4730 0.0135 0.0032 -0.0095 169 LEU B CA 3695 C C . LEU B 102 ? 0.4752 0.5058 0.4162 0.0119 0.0014 -0.0090 169 LEU B C 3696 O O . LEU B 102 ? 0.5579 0.5862 0.4977 0.0115 0.0004 -0.0093 169 LEU B O 3697 C CB . LEU B 102 ? 0.5859 0.6161 0.5264 0.0137 0.0047 -0.0111 169 LEU B CB 3698 C CG . LEU B 102 ? 0.7134 0.7437 0.6561 0.0156 0.0061 -0.0119 169 LEU B CG 3699 C CD1 . LEU B 102 ? 0.7007 0.7293 0.6410 0.0157 0.0079 -0.0137 169 LEU B CD1 3700 C CD2 . LEU B 102 ? 0.6889 0.7177 0.6333 0.0162 0.0050 -0.0115 169 LEU B CD2 3701 N N . GLY B 103 ? 0.4387 0.4705 0.3792 0.0109 0.0008 -0.0083 170 GLY B N 3702 C CA . GLY B 103 ? 0.4434 0.4740 0.3828 0.0095 -0.0011 -0.0076 170 GLY B CA 3703 C C . GLY B 103 ? 0.4526 0.4846 0.3954 0.0097 -0.0024 -0.0066 170 GLY B C 3704 O O . GLY B 103 ? 0.4985 0.5300 0.4412 0.0088 -0.0041 -0.0060 170 GLY B O 3705 N N . THR B 104 ? 0.4384 0.4722 0.3842 0.0108 -0.0018 -0.0065 171 THR B N 3706 C CA . THR B 104 ? 0.4323 0.4675 0.3811 0.0109 -0.0029 -0.0059 171 THR B CA 3707 C C . THR B 104 ? 0.4166 0.4501 0.3653 0.0105 -0.0042 -0.0060 171 THR B C 3708 O O . THR B 104 ? 0.4843 0.5160 0.4318 0.0108 -0.0040 -0.0066 171 THR B O 3709 C CB . THR B 104 ? 0.4397 0.4771 0.3912 0.0120 -0.0019 -0.0057 171 THR B CB 3710 O OG1 . THR B 104 ? 0.4851 0.5244 0.4370 0.0123 -0.0007 -0.0055 171 THR B OG1 3711 C CG2 . THR B 104 ? 0.4548 0.4939 0.4091 0.0117 -0.0028 -0.0051 171 THR B CG2 3712 N N . LYS B 105 ? 0.4322 0.4664 0.3824 0.0098 -0.0055 -0.0055 172 LYS B N 3713 C CA . LYS B 105 ? 0.4850 0.5183 0.4358 0.0093 -0.0068 -0.0056 172 LYS B CA 3714 C C . LYS B 105 ? 0.4609 0.4952 0.4139 0.0099 -0.0065 -0.0056 172 LYS B C 3715 O O . LYS B 105 ? 0.4685 0.5053 0.4240 0.0102 -0.0061 -0.0053 172 LYS B O 3716 C CB . LYS B 105 ? 0.5139 0.5478 0.4661 0.0085 -0.0083 -0.0051 172 LYS B CB 3717 C CG . LYS B 105 ? 0.5646 0.5978 0.5176 0.0079 -0.0097 -0.0053 172 LYS B CG 3718 C CD . LYS B 105 ? 0.6693 0.7029 0.6237 0.0072 -0.0113 -0.0049 172 LYS B CD 3719 C CE . LYS B 105 ? 0.8308 0.8636 0.7858 0.0065 -0.0127 -0.0050 172 LYS B CE 3720 N NZ . LYS B 105 ? 0.9599 0.9912 0.9134 0.0056 -0.0144 -0.0046 172 LYS B NZ 3721 N N . GLN B 106 ? 0.4838 0.5162 0.4358 0.0098 -0.0068 -0.0060 173 GLN B N 3722 C CA . GLN B 106 ? 0.4616 0.4946 0.4154 0.0099 -0.0069 -0.0059 173 GLN B CA 3723 C C . GLN B 106 ? 0.4495 0.4828 0.4045 0.0088 -0.0083 -0.0058 173 GLN B C 3724 O O . GLN B 106 ? 0.5058 0.5373 0.4595 0.0082 -0.0092 -0.0061 173 GLN B O 3725 C CB . GLN B 106 ? 0.4664 0.4970 0.4186 0.0103 -0.0065 -0.0062 173 GLN B CB 3726 C CG . GLN B 106 ? 0.4826 0.5129 0.4340 0.0115 -0.0051 -0.0064 173 GLN B CG 3727 C CD . GLN B 106 ? 0.4879 0.5152 0.4376 0.0120 -0.0047 -0.0070 173 GLN B CD 3728 O OE1 . GLN B 106 ? 0.4872 0.5143 0.4381 0.0125 -0.0046 -0.0067 173 GLN B OE1 3729 N NE2 . GLN B 106 ? 0.5289 0.5539 0.4757 0.0117 -0.0045 -0.0079 173 GLN B NE2 3730 N N . VAL B 107 ? 0.4552 0.4912 0.4130 0.0086 -0.0083 -0.0056 174 VAL B N 3731 C CA . VAL B 107 ? 0.5561 0.5931 0.5159 0.0077 -0.0094 -0.0057 174 VAL B CA 3732 C C . VAL B 107 ? 0.4728 0.5097 0.4333 0.0070 -0.0099 -0.0059 174 VAL B C 3733 O O . VAL B 107 ? 0.5457 0.5828 0.5072 0.0062 -0.0109 -0.0061 174 VAL B O 3734 C CB . VAL B 107 ? 0.6058 0.6456 0.5682 0.0078 -0.0090 -0.0056 174 VAL B CB 3735 C CG1 . VAL B 107 ? 0.7631 0.8050 0.7284 0.0071 -0.0093 -0.0059 174 VAL B CG1 3736 C CG2 . VAL B 107 ? 0.6354 0.6750 0.5977 0.0078 -0.0096 -0.0055 174 VAL B CG2 3737 N N . CYS B 108 ? 0.4257 0.4624 0.3858 0.0073 -0.0092 -0.0057 175 CYS B N 3738 C CA . CYS B 108 ? 0.4560 0.4923 0.4163 0.0064 -0.0096 -0.0057 175 CYS B CA 3739 C C . CYS B 108 ? 0.4378 0.4731 0.3972 0.0070 -0.0089 -0.0052 175 CYS B C 3740 O O . CYS B 108 ? 0.4658 0.5013 0.4248 0.0080 -0.0081 -0.0050 175 CYS B O 3741 C CB . CYS B 108 ? 0.4689 0.5082 0.4322 0.0055 -0.0098 -0.0058 175 CYS B CB 3742 S SG . CYS B 108 ? 0.5978 0.6399 0.5627 0.0059 -0.0086 -0.0055 175 CYS B SG 3743 N N . ILE B 109 ? 0.4429 0.4771 0.4019 0.0063 -0.0093 -0.0050 176 ILE B N 3744 C CA . ILE B 109 ? 0.4217 0.4547 0.3800 0.0067 -0.0089 -0.0045 176 ILE B CA 3745 C C . ILE B 109 ? 0.4455 0.4815 0.4057 0.0061 -0.0086 -0.0038 176 ILE B C 3746 O O . ILE B 109 ? 0.4918 0.5294 0.4532 0.0048 -0.0090 -0.0040 176 ILE B O 3747 C CB . ILE B 109 ? 0.4557 0.4858 0.4125 0.0060 -0.0097 -0.0045 176 ILE B CB 3748 C CG1 . ILE B 109 ? 0.4599 0.4874 0.4146 0.0061 -0.0101 -0.0052 176 ILE B CG1 3749 C CG2 . ILE B 109 ? 0.4621 0.4905 0.4182 0.0066 -0.0094 -0.0038 176 ILE B CG2 3750 C CD1 . ILE B 109 ? 0.4748 0.4993 0.4279 0.0052 -0.0109 -0.0054 176 ILE B CD1 3751 N N . ALA B 110 ? 0.4651 0.5019 0.4258 0.0070 -0.0080 -0.0032 177 ALA B N 3752 C CA . ALA B 110 ? 0.4729 0.5128 0.4352 0.0062 -0.0077 -0.0026 177 ALA B CA 3753 C C . ALA B 110 ? 0.4351 0.4753 0.3976 0.0071 -0.0074 -0.0016 177 ALA B C 3754 O O . ALA B 110 ? 0.4490 0.4888 0.4114 0.0085 -0.0068 -0.0016 177 ALA B O 3755 C CB . ALA B 110 ? 0.4671 0.5100 0.4311 0.0060 -0.0073 -0.0032 177 ALA B CB 3756 N N . TRP B 111 ? 0.3931 0.4340 0.3559 0.0061 -0.0077 -0.0007 178 TRP B N 3757 C CA . TRP B 111 ? 0.4230 0.4653 0.3865 0.0065 -0.0075 0.0004 178 TRP B CA 3758 C C . TRP B 111 ? 0.4194 0.4655 0.3841 0.0052 -0.0072 0.0005 178 TRP B C 3759 O O . TRP B 111 ? 0.4148 0.4623 0.3800 0.0051 -0.0073 0.0015 178 TRP B O 3760 C CB . TRP B 111 ? 0.4199 0.4599 0.3828 0.0067 -0.0082 0.0016 178 TRP B CB 3761 C CG . TRP B 111 ? 0.4484 0.4870 0.4104 0.0051 -0.0091 0.0020 178 TRP B CG 3762 C CD1 . TRP B 111 ? 0.4319 0.4668 0.3926 0.0053 -0.0096 0.0020 178 TRP B CD1 3763 C CD2 . TRP B 111 ? 0.4873 0.5280 0.4494 0.0029 -0.0094 0.0025 178 TRP B CD2 3764 N NE1 . TRP B 111 ? 0.4276 0.4622 0.3877 0.0034 -0.0104 0.0025 178 TRP B NE1 3765 C CE2 . TRP B 111 ? 0.4596 0.4978 0.4205 0.0018 -0.0102 0.0029 178 TRP B CE2 3766 C CE3 . TRP B 111 ? 0.5124 0.5569 0.4754 0.0016 -0.0090 0.0026 178 TRP B CE3 3767 C CZ2 . TRP B 111 ? 0.4311 0.4706 0.3916 -0.0005 -0.0106 0.0034 178 TRP B CZ2 3768 C CZ3 . TRP B 111 ? 0.4698 0.5156 0.4324 -0.0007 -0.0094 0.0030 178 TRP B CZ3 3769 C CH2 . TRP B 111 ? 0.4697 0.5130 0.4311 -0.0018 -0.0102 0.0034 178 TRP B CH2 3770 N N . SER B 112 ? 0.4797 0.5274 0.4450 0.0040 -0.0070 -0.0004 179 SER B N 3771 C CA . SER B 112 ? 0.4177 0.4691 0.3844 0.0029 -0.0064 -0.0008 179 SER B CA 3772 C C . SER B 112 ? 0.4021 0.4540 0.3697 0.0028 -0.0061 -0.0024 179 SER B C 3773 O O . SER B 112 ? 0.4148 0.4651 0.3820 0.0027 -0.0066 -0.0029 179 SER B O 3774 C CB . SER B 112 ? 0.4184 0.4713 0.3850 0.0008 -0.0067 -0.0003 179 SER B CB 3775 O OG . SER B 112 ? 0.3850 0.4413 0.3527 -0.0003 -0.0060 -0.0009 179 SER B OG 3776 N N . SER B 113 ? 0.4085 0.4627 0.3775 0.0029 -0.0055 -0.0030 180 SER B N 3777 C CA . SER B 113 ? 0.3870 0.4415 0.3572 0.0030 -0.0054 -0.0043 180 SER B CA 3778 C C . SER B 113 ? 0.3863 0.4437 0.3583 0.0024 -0.0047 -0.0052 180 SER B C 3779 O O . SER B 113 ? 0.4580 0.5171 0.4301 0.0021 -0.0042 -0.0047 180 SER B O 3780 C CB . SER B 113 ? 0.4504 0.5026 0.4198 0.0046 -0.0056 -0.0044 180 SER B CB 3781 O OG . SER B 113 ? 0.4298 0.4829 0.3994 0.0055 -0.0051 -0.0041 180 SER B OG 3782 N N . SER B 114 ? 0.3636 0.4213 0.3371 0.0024 -0.0047 -0.0063 181 SER B N 3783 C CA . SER B 114 ? 0.4367 0.4964 0.4123 0.0022 -0.0041 -0.0073 181 SER B CA 3784 C C . SER B 114 ? 0.4270 0.4855 0.4039 0.0030 -0.0047 -0.0081 181 SER B C 3785 O O . SER B 114 ? 0.4659 0.5229 0.4425 0.0031 -0.0055 -0.0081 181 SER B O 3786 C CB . SER B 114 ? 0.4734 0.5360 0.4507 0.0004 -0.0035 -0.0083 181 SER B CB 3787 O OG . SER B 114 ? 0.4964 0.5608 0.4759 0.0002 -0.0028 -0.0097 181 SER B OG 3788 N N . SER B 115 ? 0.4157 0.4747 0.3938 0.0036 -0.0045 -0.0085 182 SER B N 3789 C CA . SER B 115 ? 0.3876 0.4452 0.3668 0.0043 -0.0053 -0.0089 182 SER B CA 3790 C C . SER B 115 ? 0.3943 0.4535 0.3763 0.0041 -0.0050 -0.0099 182 SER B C 3791 O O . SER B 115 ? 0.4293 0.4900 0.4115 0.0038 -0.0041 -0.0101 182 SER B O 3792 C CB . SER B 115 ? 0.4550 0.5101 0.4319 0.0055 -0.0059 -0.0079 182 SER B CB 3793 O OG . SER B 115 ? 0.4425 0.4958 0.4169 0.0057 -0.0061 -0.0071 182 SER B OG 3794 N N . CYS B 116 ? 0.4188 0.4776 0.4029 0.0043 -0.0057 -0.0106 183 CYS B N 3795 C CA . CYS B 116 ? 0.4451 0.5049 0.4322 0.0044 -0.0055 -0.0116 183 CYS B CA 3796 C C . CYS B 116 ? 0.4329 0.4914 0.4220 0.0050 -0.0069 -0.0117 183 CYS B C 3797 O O . CYS B 116 ? 0.4536 0.5111 0.4422 0.0051 -0.0078 -0.0114 183 CYS B O 3798 C CB . CYS B 116 ? 0.4738 0.5366 0.4635 0.0033 -0.0043 -0.0131 183 CYS B CB 3799 S SG . CYS B 116 ? 0.5203 0.5845 0.5110 0.0022 -0.0043 -0.0139 183 CYS B SG 3800 N N . HIS B 117 ? 0.4064 0.4649 0.3978 0.0054 -0.0071 -0.0122 184 HIS B N 3801 C CA . HIS B 117 ? 0.4202 0.4774 0.4137 0.0060 -0.0086 -0.0121 184 HIS B CA 3802 C C . HIS B 117 ? 0.4255 0.4846 0.4238 0.0058 -0.0082 -0.0138 184 HIS B C 3803 O O . HIS B 117 ? 0.3956 0.4560 0.3951 0.0055 -0.0070 -0.0148 184 HIS B O 3804 C CB . HIS B 117 ? 0.4354 0.4905 0.4273 0.0067 -0.0093 -0.0109 184 HIS B CB 3805 C CG . HIS B 117 ? 0.4668 0.5199 0.4595 0.0072 -0.0112 -0.0102 184 HIS B CG 3806 N ND1 . HIS B 117 ? 0.4933 0.5465 0.4901 0.0075 -0.0121 -0.0108 184 HIS B ND1 3807 C CD2 . HIS B 117 ? 0.4779 0.5286 0.4677 0.0073 -0.0125 -0.0088 184 HIS B CD2 3808 C CE1 . HIS B 117 ? 0.4747 0.5258 0.4713 0.0078 -0.0140 -0.0097 184 HIS B CE1 3809 N NE2 . HIS B 117 ? 0.4951 0.5448 0.4873 0.0076 -0.0142 -0.0085 184 HIS B NE2 3810 N N . ASP B 118 ? 0.4310 0.4905 0.4323 0.0060 -0.0092 -0.0143 185 ASP B N 3811 C CA . ASP B 118 ? 0.4614 0.5231 0.4679 0.0059 -0.0087 -0.0162 185 ASP B CA 3812 C C . ASP B 118 ? 0.4792 0.5397 0.4893 0.0068 -0.0100 -0.0163 185 ASP B C 3813 O O . ASP B 118 ? 0.4613 0.5233 0.4763 0.0070 -0.0099 -0.0179 185 ASP B O 3814 C CB . ASP B 118 ? 0.4511 0.5144 0.4597 0.0054 -0.0090 -0.0170 185 ASP B CB 3815 C CG . ASP B 118 ? 0.4660 0.5274 0.4749 0.0060 -0.0112 -0.0158 185 ASP B CG 3816 O OD1 . ASP B 118 ? 0.4774 0.5363 0.4851 0.0068 -0.0126 -0.0144 185 ASP B OD1 3817 O OD2 . ASP B 118 ? 0.4441 0.5068 0.4544 0.0055 -0.0115 -0.0162 185 ASP B OD2 3818 N N . GLY B 119 ? 0.4453 0.5031 0.4529 0.0074 -0.0111 -0.0146 186 GLY B N 3819 C CA . GLY B 119 ? 0.4511 0.5072 0.4612 0.0082 -0.0127 -0.0141 186 GLY B CA 3820 C C . GLY B 119 ? 0.5073 0.5613 0.5169 0.0086 -0.0151 -0.0126 186 GLY B C 3821 O O . GLY B 119 ? 0.5043 0.5562 0.5142 0.0090 -0.0168 -0.0114 186 GLY B O 3822 N N . LYS B 120 ? 0.5146 0.5695 0.5237 0.0082 -0.0154 -0.0126 187 LYS B N 3823 C CA . LYS B 120 ? 0.5209 0.5739 0.5288 0.0083 -0.0177 -0.0110 187 LYS B CA 3824 C C . LYS B 120 ? 0.5047 0.5561 0.5067 0.0078 -0.0177 -0.0097 187 LYS B C 3825 O O . LYS B 120 ? 0.5216 0.5708 0.5212 0.0078 -0.0194 -0.0082 187 LYS B O 3826 C CB . LYS B 120 ? 0.5310 0.5860 0.5430 0.0082 -0.0183 -0.0120 187 LYS B CB 3827 C CG . LYS B 120 ? 0.6215 0.6781 0.6402 0.0089 -0.0186 -0.0134 187 LYS B CG 3828 C CD . LYS B 120 ? 0.6941 0.7525 0.7174 0.0090 -0.0197 -0.0141 187 LYS B CD 3829 C CE . LYS B 120 ? 0.7433 0.8025 0.7734 0.0100 -0.0204 -0.0150 187 LYS B CE 3830 N NZ . LYS B 120 ? 0.8494 0.9122 0.8849 0.0099 -0.0191 -0.0174 187 LYS B NZ 3831 N N . ALA B 121 ? 0.5405 0.5931 0.5403 0.0073 -0.0159 -0.0104 188 ALA B N 3832 C CA . ALA B 121 ? 0.5068 0.5582 0.5018 0.0069 -0.0158 -0.0094 188 ALA B CA 3833 C C . ALA B 121 ? 0.4797 0.5323 0.4725 0.0066 -0.0136 -0.0100 188 ALA B C 3834 O O . ALA B 121 ? 0.5105 0.5653 0.5056 0.0064 -0.0123 -0.0112 188 ALA B O 3835 C CB . ALA B 121 ? 0.5206 0.5721 0.5161 0.0065 -0.0169 -0.0094 188 ALA B CB 3836 N N . TRP B 122 ? 0.4511 0.5020 0.4394 0.0065 -0.0135 -0.0090 189 TRP B N 3837 C CA . TRP B 122 ? 0.4727 0.5243 0.4585 0.0062 -0.0118 -0.0092 189 TRP B CA 3838 C C . TRP B 122 ? 0.4535 0.5063 0.4397 0.0055 -0.0115 -0.0097 189 TRP B C 3839 O O . TRP B 122 ? 0.4272 0.4792 0.4132 0.0052 -0.0126 -0.0095 189 TRP B O 3840 C CB . TRP B 122 ? 0.4470 0.4963 0.4282 0.0065 -0.0118 -0.0080 189 TRP B CB 3841 C CG . TRP B 122 ? 0.4703 0.5191 0.4508 0.0069 -0.0115 -0.0075 189 TRP B CG 3842 C CD1 . TRP B 122 ? 0.3974 0.4443 0.3767 0.0072 -0.0126 -0.0066 189 TRP B CD1 3843 C CD2 . TRP B 122 ? 0.4330 0.4834 0.4137 0.0070 -0.0100 -0.0078 189 TRP B CD2 3844 N NE1 . TRP B 122 ? 0.4492 0.4964 0.4283 0.0074 -0.0118 -0.0064 189 TRP B NE1 3845 C CE2 . TRP B 122 ? 0.4128 0.4621 0.3926 0.0073 -0.0102 -0.0071 189 TRP B CE2 3846 C CE3 . TRP B 122 ? 0.4464 0.4989 0.4279 0.0066 -0.0086 -0.0085 189 TRP B CE3 3847 C CZ2 . TRP B 122 ? 0.4239 0.4743 0.4038 0.0073 -0.0090 -0.0072 189 TRP B CZ2 3848 C CZ3 . TRP B 122 ? 0.4449 0.4986 0.4264 0.0066 -0.0075 -0.0085 189 TRP B CZ3 3849 C CH2 . TRP B 122 ? 0.4218 0.4745 0.4026 0.0070 -0.0077 -0.0079 189 TRP B CH2 3850 N N . LEU B 123 ? 0.4399 0.4947 0.4265 0.0050 -0.0100 -0.0104 190 LEU B N 3851 C CA . LEU B 123 ? 0.4398 0.4955 0.4257 0.0041 -0.0094 -0.0107 190 LEU B CA 3852 C C . LEU B 123 ? 0.4766 0.5315 0.4589 0.0041 -0.0086 -0.0098 190 LEU B C 3853 O O . LEU B 123 ? 0.4919 0.5475 0.4739 0.0044 -0.0077 -0.0097 190 LEU B O 3854 C CB . LEU B 123 ? 0.4678 0.5268 0.4570 0.0032 -0.0084 -0.0121 190 LEU B CB 3855 C CG . LEU B 123 ? 0.5079 0.5680 0.4961 0.0019 -0.0076 -0.0123 190 LEU B CG 3856 C CD1 . LEU B 123 ? 0.4967 0.5563 0.4852 0.0015 -0.0087 -0.0123 190 LEU B CD1 3857 C CD2 . LEU B 123 ? 0.5430 0.6065 0.5339 0.0009 -0.0062 -0.0138 190 LEU B CD2 3858 N N . HIS B 124 ? 0.4122 0.4656 0.3920 0.0039 -0.0089 -0.0092 191 HIS B N 3859 C CA . HIS B 124 ? 0.4086 0.4614 0.3857 0.0039 -0.0082 -0.0085 191 HIS B CA 3860 C C . HIS B 124 ? 0.4268 0.4803 0.4037 0.0027 -0.0080 -0.0086 191 HIS B C 3861 O O . HIS B 124 ? 0.4312 0.4843 0.4085 0.0021 -0.0087 -0.0088 191 HIS B O 3862 C CB . HIS B 124 ? 0.4332 0.4828 0.4070 0.0047 -0.0087 -0.0075 191 HIS B CB 3863 C CG . HIS B 124 ? 0.4292 0.4777 0.4025 0.0056 -0.0091 -0.0073 191 HIS B CG 3864 N ND1 . HIS B 124 ? 0.4086 0.4580 0.3821 0.0062 -0.0083 -0.0071 191 HIS B ND1 3865 C CD2 . HIS B 124 ? 0.4667 0.5135 0.4396 0.0059 -0.0102 -0.0071 191 HIS B CD2 3866 C CE1 . HIS B 124 ? 0.4451 0.4931 0.4181 0.0067 -0.0089 -0.0069 191 HIS B CE1 3867 N NE2 . HIS B 124 ? 0.4723 0.5188 0.4448 0.0065 -0.0101 -0.0068 191 HIS B NE2 3868 N N . VAL B 125 ? 0.3751 0.4300 0.3515 0.0022 -0.0070 -0.0083 192 VAL B N 3869 C CA . VAL B 125 ? 0.4502 0.5054 0.4257 0.0010 -0.0068 -0.0081 192 VAL B CA 3870 C C . VAL B 125 ? 0.4733 0.5264 0.4458 0.0015 -0.0070 -0.0068 192 VAL B C 3871 O O . VAL B 125 ? 0.5602 0.6137 0.5321 0.0021 -0.0064 -0.0062 192 VAL B O 3872 C CB . VAL B 125 ? 0.4767 0.5352 0.4537 -0.0002 -0.0058 -0.0087 192 VAL B CB 3873 C CG1 . VAL B 125 ? 0.4871 0.5460 0.4629 -0.0018 -0.0057 -0.0082 192 VAL B CG1 3874 C CG2 . VAL B 125 ? 0.4729 0.5336 0.4532 -0.0006 -0.0055 -0.0102 192 VAL B CG2 3875 N N . CYS B 126 ? 0.4554 0.5063 0.4264 0.0013 -0.0076 -0.0063 193 CYS B N 3876 C CA . CYS B 126 ? 0.5280 0.5759 0.4963 0.0022 -0.0079 -0.0052 193 CYS B CA 3877 C C . CYS B 126 ? 0.4602 0.5073 0.4274 0.0011 -0.0082 -0.0046 193 CYS B C 3878 O O . CYS B 126 ? 0.5258 0.5723 0.4929 0.0001 -0.0088 -0.0049 193 CYS B O 3879 C CB . CYS B 126 ? 0.4960 0.5411 0.4630 0.0032 -0.0086 -0.0054 193 CYS B CB 3880 S SG . CYS B 126 ? 0.6002 0.6460 0.5683 0.0043 -0.0085 -0.0059 193 CYS B SG 3881 N N . VAL B 127 ? 0.4583 0.5055 0.4246 0.0011 -0.0079 -0.0036 194 VAL B N 3882 C CA . VAL B 127 ? 0.4721 0.5184 0.4373 -0.0001 -0.0084 -0.0027 194 VAL B CA 3883 C C . VAL B 127 ? 0.4602 0.5029 0.4235 0.0011 -0.0088 -0.0017 194 VAL B C 3884 O O . VAL B 127 ? 0.4285 0.4711 0.3917 0.0026 -0.0084 -0.0013 194 VAL B O 3885 C CB . VAL B 127 ? 0.4477 0.4967 0.4133 -0.0013 -0.0079 -0.0020 194 VAL B CB 3886 C CG1 . VAL B 127 ? 0.4547 0.5027 0.4191 -0.0030 -0.0085 -0.0011 194 VAL B CG1 3887 C CG2 . VAL B 127 ? 0.4240 0.4766 0.3916 -0.0023 -0.0072 -0.0032 194 VAL B CG2 3888 N N . THR B 128 ? 0.4318 0.4719 0.3938 0.0005 -0.0095 -0.0015 195 THR B N 3889 C CA . THR B 128 ? 0.4604 0.4968 0.4207 0.0016 -0.0100 -0.0008 195 THR B CA 3890 C C . THR B 128 ? 0.4349 0.4694 0.3941 0.0002 -0.0108 -0.0001 195 THR B C 3891 O O . THR B 128 ? 0.4546 0.4907 0.4142 -0.0017 -0.0110 -0.0002 195 THR B O 3892 C CB . THR B 128 ? 0.4850 0.5189 0.4444 0.0032 -0.0099 -0.0017 195 THR B CB 3893 O OG1 . THR B 128 ? 0.4619 0.4923 0.4199 0.0044 -0.0101 -0.0012 195 THR B OG1 3894 C CG2 . THR B 128 ? 0.4615 0.4946 0.4205 0.0022 -0.0105 -0.0025 195 THR B CG2 3895 N N . GLY B 129 ? 0.4199 0.4507 0.3777 0.0010 -0.0113 0.0005 196 GLY B N 3896 C CA . GLY B 129 ? 0.4595 0.4876 0.4160 -0.0002 -0.0122 0.0013 196 GLY B CA 3897 C C . GLY B 129 ? 0.4609 0.4887 0.4173 -0.0006 -0.0127 0.0031 196 GLY B C 3898 O O . GLY B 129 ? 0.4507 0.4797 0.4080 0.0004 -0.0124 0.0038 196 GLY B O 3899 N N . ASP B 130 ? 0.4890 0.5153 0.4444 -0.0024 -0.0136 0.0040 197 ASP B N 3900 C CA . ASP B 130 ? 0.4867 0.5123 0.4418 -0.0031 -0.0144 0.0060 197 ASP B CA 3901 C C . ASP B 130 ? 0.4900 0.5200 0.4460 -0.0042 -0.0140 0.0067 197 ASP B C 3902 O O . ASP B 130 ? 0.5301 0.5634 0.4866 -0.0057 -0.0134 0.0057 197 ASP B O 3903 C CB . ASP B 130 ? 0.5834 0.6068 0.5369 -0.0054 -0.0154 0.0067 197 ASP B CB 3904 C CG . ASP B 130 ? 0.6538 0.6722 0.6061 -0.0046 -0.0159 0.0062 197 ASP B CG 3905 O OD1 . ASP B 130 ? 0.7457 0.7616 0.6981 -0.0021 -0.0157 0.0059 197 ASP B OD1 3906 O OD2 . ASP B 130 ? 0.8145 0.8315 0.7655 -0.0065 -0.0165 0.0061 197 ASP B OD2 3907 N N . ASP B 131 ? 0.4570 0.4870 0.4133 -0.0037 -0.0145 0.0083 198 ASP B N 3908 C CA . ASP B 131 ? 0.4942 0.5281 0.4510 -0.0051 -0.0144 0.0093 198 ASP B CA 3909 C C . ASP B 131 ? 0.5686 0.6045 0.5244 -0.0085 -0.0146 0.0095 198 ASP B C 3910 O O . ASP B 131 ? 0.6073 0.6474 0.5637 -0.0098 -0.0137 0.0087 198 ASP B O 3911 C CB . ASP B 131 ? 0.5629 0.5954 0.5199 -0.0045 -0.0155 0.0116 198 ASP B CB 3912 C CG . ASP B 131 ? 0.6379 0.6703 0.5965 -0.0015 -0.0151 0.0114 198 ASP B CG 3913 O OD1 . ASP B 131 ? 0.7085 0.7412 0.6677 0.0000 -0.0140 0.0097 198 ASP B OD1 3914 O OD2 . ASP B 131 ? 0.7551 0.7874 0.7145 -0.0009 -0.0159 0.0132 198 ASP B OD2 3915 N N . ARG B 132 ? 0.5775 0.6107 0.5319 -0.0099 -0.0155 0.0103 199 ARG B N 3916 C CA . ARG B 132 ? 0.6828 0.7178 0.6361 -0.0132 -0.0156 0.0106 199 ARG B CA 3917 C C . ARG B 132 ? 0.6676 0.7035 0.6211 -0.0141 -0.0148 0.0085 199 ARG B C 3918 O O . ARG B 132 ? 0.5875 0.6252 0.5404 -0.0170 -0.0148 0.0085 199 ARG B O 3919 C CB . ARG B 132 ? 0.8075 0.8392 0.7589 -0.0147 -0.0172 0.0128 199 ARG B CB 3920 C CG . ARG B 132 ? 0.9716 1.0029 0.9229 -0.0145 -0.0183 0.0152 199 ARG B CG 3921 C CD . ARG B 132 ? 1.1424 1.1697 1.0922 -0.0155 -0.0202 0.0176 199 ARG B CD 3922 N NE . ARG B 132 ? 1.3803 1.4090 1.3299 -0.0165 -0.0212 0.0200 199 ARG B NE 3923 C CZ . ARG B 132 ? 1.4493 1.4785 1.4005 -0.0143 -0.0214 0.0208 199 ARG B CZ 3924 N NH1 . ARG B 132 ? 1.3719 1.4002 1.3249 -0.0109 -0.0206 0.0194 199 ARG B NH1 3925 N NH2 . ARG B 132 ? 1.4208 1.4515 1.3716 -0.0156 -0.0225 0.0231 199 ARG B NH2 3926 N N . ASN B 133 ? 0.5859 0.6209 0.5404 -0.0120 -0.0143 0.0069 200 ASN B N 3927 C CA . ASN B 133 ? 0.5457 0.5817 0.5007 -0.0129 -0.0138 0.0051 200 ASN B CA 3928 C C . ASN B 133 ? 0.5397 0.5762 0.4962 -0.0106 -0.0131 0.0034 200 ASN B C 3929 O O . ASN B 133 ? 0.4594 0.4936 0.4156 -0.0098 -0.0133 0.0025 200 ASN B O 3930 C CB . ASN B 133 ? 0.4896 0.5219 0.4430 -0.0140 -0.0148 0.0056 200 ASN B CB 3931 C CG . ASN B 133 ? 0.5685 0.6028 0.5222 -0.0163 -0.0145 0.0044 200 ASN B CG 3932 O OD1 . ASN B 133 ? 0.5314 0.5701 0.4866 -0.0174 -0.0135 0.0034 200 ASN B OD1 3933 N ND2 . ASN B 133 ? 0.5781 0.6093 0.5307 -0.0170 -0.0153 0.0043 200 ASN B ND2 3934 N N . ALA B 134 ? 0.5402 0.5797 0.4980 -0.0097 -0.0122 0.0029 201 ALA B N 3935 C CA . ALA B 134 ? 0.5693 0.6091 0.5284 -0.0074 -0.0115 0.0015 201 ALA B CA 3936 C C . ALA B 134 ? 0.5712 0.6131 0.5318 -0.0081 -0.0111 -0.0002 201 ALA B C 3937 O O . ALA B 134 ? 0.5127 0.5567 0.4738 -0.0102 -0.0109 -0.0006 201 ALA B O 3938 C CB . ALA B 134 ? 0.5200 0.5622 0.4802 -0.0063 -0.0108 0.0016 201 ALA B CB 3939 N N . THR B 135 ? 0.5146 0.5558 0.4759 -0.0062 -0.0109 -0.0012 202 THR B N 3940 C CA . THR B 135 ? 0.4964 0.5396 0.4594 -0.0064 -0.0106 -0.0027 202 THR B CA 3941 C C . THR B 135 ? 0.4698 0.5150 0.4345 -0.0049 -0.0099 -0.0034 202 THR B C 3942 O O . THR B 135 ? 0.4782 0.5219 0.4422 -0.0031 -0.0099 -0.0031 202 THR B O 3943 C CB . THR B 135 ? 0.4772 0.5172 0.4394 -0.0056 -0.0115 -0.0032 202 THR B CB 3944 O OG1 . THR B 135 ? 0.5367 0.5744 0.4973 -0.0070 -0.0122 -0.0026 202 THR B OG1 3945 C CG2 . THR B 135 ? 0.5077 0.5498 0.4720 -0.0059 -0.0115 -0.0046 202 THR B CG2 3946 N N . ALA B 136 ? 0.4266 0.4755 0.3937 -0.0057 -0.0093 -0.0046 203 ALA B N 3947 C CA . ALA B 136 ? 0.4322 0.4827 0.4011 -0.0045 -0.0087 -0.0054 203 ALA B CA 3948 C C . ALA B 136 ? 0.4603 0.5108 0.4307 -0.0040 -0.0092 -0.0065 203 ALA B C 3949 O O . ALA B 136 ? 0.4762 0.5284 0.4483 -0.0054 -0.0092 -0.0074 203 ALA B O 3950 C CB . ALA B 136 ? 0.4489 0.5034 0.4196 -0.0055 -0.0076 -0.0060 203 ALA B CB 3951 N N . SER B 137 ? 0.4590 0.5076 0.4289 -0.0023 -0.0095 -0.0065 204 SER B N 3952 C CA . SER B 137 ? 0.4827 0.5311 0.4540 -0.0018 -0.0102 -0.0073 204 SER B CA 3953 C C . SER B 137 ? 0.4732 0.5240 0.4471 -0.0010 -0.0097 -0.0081 204 SER B C 3954 O O . SER B 137 ? 0.4782 0.5294 0.4517 -0.0002 -0.0090 -0.0078 204 SER B O 3955 C CB . SER B 137 ? 0.4458 0.4904 0.4145 -0.0005 -0.0110 -0.0068 204 SER B CB 3956 O OG . SER B 137 ? 0.5259 0.5679 0.4924 -0.0012 -0.0116 -0.0064 204 SER B OG 3957 N N . PHE B 138 ? 0.4442 0.4964 0.4207 -0.0013 -0.0102 -0.0090 205 PHE B N 3958 C CA . PHE B 138 ? 0.4197 0.4739 0.3991 -0.0006 -0.0099 -0.0098 205 PHE B CA 3959 C C . PHE B 138 ? 0.4450 0.4973 0.4245 0.0003 -0.0112 -0.0097 205 PHE B C 3960 O O . PHE B 138 ? 0.4668 0.5189 0.4472 -0.0001 -0.0123 -0.0098 205 PHE B O 3961 C CB . PHE B 138 ? 0.4261 0.4840 0.4093 -0.0018 -0.0093 -0.0111 205 PHE B CB 3962 C CG . PHE B 138 ? 0.4600 0.5197 0.4426 -0.0031 -0.0080 -0.0112 205 PHE B CG 3963 C CD1 . PHE B 138 ? 0.4946 0.5537 0.4753 -0.0044 -0.0081 -0.0106 205 PHE B CD1 3964 C CD2 . PHE B 138 ? 0.4900 0.5517 0.4735 -0.0030 -0.0068 -0.0117 205 PHE B CD2 3965 C CE1 . PHE B 138 ? 0.5257 0.5863 0.5054 -0.0058 -0.0071 -0.0104 205 PHE B CE1 3966 C CE2 . PHE B 138 ? 0.4721 0.5355 0.4548 -0.0044 -0.0058 -0.0117 205 PHE B CE2 3967 C CZ . PHE B 138 ? 0.4770 0.5399 0.4577 -0.0058 -0.0060 -0.0109 205 PHE B CZ 3968 N N . ILE B 139 ? 0.4675 0.5188 0.4463 0.0015 -0.0112 -0.0093 206 ILE B N 3969 C CA . ILE B 139 ? 0.4619 0.5112 0.4401 0.0023 -0.0125 -0.0089 206 ILE B CA 3970 C C . ILE B 139 ? 0.4893 0.5401 0.4705 0.0029 -0.0126 -0.0094 206 ILE B C 3971 O O . ILE B 139 ? 0.4987 0.5504 0.4802 0.0034 -0.0116 -0.0095 206 ILE B O 3972 C CB . ILE B 139 ? 0.5342 0.5806 0.5083 0.0031 -0.0124 -0.0080 206 ILE B CB 3973 C CG1 . ILE B 139 ? 0.5695 0.6142 0.5412 0.0024 -0.0124 -0.0077 206 ILE B CG1 3974 C CG2 . ILE B 139 ? 0.5290 0.5734 0.5020 0.0037 -0.0135 -0.0076 206 ILE B CG2 3975 C CD1 . ILE B 139 ? 0.6133 0.6551 0.5813 0.0031 -0.0122 -0.0071 206 ILE B CD1 3976 N N . TYR B 140 ? 0.4424 0.4936 0.4260 0.0029 -0.0139 -0.0096 207 TYR B N 3977 C CA . TYR B 140 ? 0.4429 0.4954 0.4300 0.0035 -0.0142 -0.0100 207 TYR B CA 3978 C C . TYR B 140 ? 0.4604 0.5107 0.4468 0.0040 -0.0161 -0.0092 207 TYR B C 3979 O O . TYR B 140 ? 0.4602 0.5095 0.4461 0.0035 -0.0174 -0.0088 207 TYR B O 3980 C CB . TYR B 140 ? 0.4251 0.4808 0.4171 0.0028 -0.0140 -0.0114 207 TYR B CB 3981 C CG . TYR B 140 ? 0.3972 0.4542 0.3934 0.0036 -0.0143 -0.0120 207 TYR B CG 3982 C CD1 . TYR B 140 ? 0.3998 0.4580 0.3968 0.0039 -0.0129 -0.0126 207 TYR B CD1 3983 C CD2 . TYR B 140 ? 0.4181 0.4750 0.4173 0.0039 -0.0161 -0.0119 207 TYR B CD2 3984 C CE1 . TYR B 140 ? 0.4191 0.4781 0.4200 0.0046 -0.0131 -0.0133 207 TYR B CE1 3985 C CE2 . TYR B 140 ? 0.4289 0.4869 0.4324 0.0047 -0.0165 -0.0125 207 TYR B CE2 3986 C CZ . TYR B 140 ? 0.4873 0.5461 0.4914 0.0051 -0.0149 -0.0132 207 TYR B CZ 3987 O OH . TYR B 140 ? 0.5147 0.5741 0.5228 0.0058 -0.0151 -0.0138 207 TYR B OH 3988 N N . ASP B 141 ? 0.5212 0.5706 0.5074 0.0047 -0.0162 -0.0087 208 ASP B N 3989 C CA . ASP B 141 ? 0.5465 0.5938 0.5316 0.0050 -0.0180 -0.0077 208 ASP B CA 3990 C C . ASP B 141 ? 0.5097 0.5542 0.4900 0.0046 -0.0187 -0.0068 208 ASP B C 3991 O O . ASP B 141 ? 0.4972 0.5404 0.4771 0.0042 -0.0205 -0.0063 208 ASP B O 3992 C CB . ASP B 141 ? 0.5775 0.6259 0.5671 0.0050 -0.0197 -0.0079 208 ASP B CB 3993 C CG . ASP B 141 ? 0.6719 0.7185 0.6615 0.0055 -0.0214 -0.0068 208 ASP B CG 3994 O OD1 . ASP B 141 ? 0.6749 0.7197 0.6613 0.0058 -0.0210 -0.0060 208 ASP B OD1 3995 O OD2 . ASP B 141 ? 0.7480 0.7950 0.7408 0.0055 -0.0232 -0.0066 208 ASP B OD2 3996 N N . GLY B 142 ? 0.4816 0.5252 0.4585 0.0047 -0.0173 -0.0068 209 GLY B N 3997 C CA . GLY B 142 ? 0.4464 0.4872 0.4188 0.0043 -0.0177 -0.0063 209 GLY B CA 3998 C C . GLY B 142 ? 0.5423 0.5829 0.5146 0.0034 -0.0183 -0.0066 209 GLY B C 3999 O O . GLY B 142 ? 0.5216 0.5598 0.4903 0.0030 -0.0186 -0.0063 209 GLY B O 4000 N N . MET B 143 ? 0.5584 0.6015 0.5345 0.0030 -0.0183 -0.0072 210 MET B N 4001 C CA . MET B 143 ? 0.5462 0.5893 0.5222 0.0019 -0.0188 -0.0075 210 MET B CA 4002 C C . MET B 143 ? 0.5340 0.5790 0.5111 0.0015 -0.0173 -0.0082 210 MET B C 4003 O O . MET B 143 ? 0.4905 0.5381 0.4706 0.0017 -0.0163 -0.0088 210 MET B O 4004 C CB . MET B 143 ? 0.5958 0.6405 0.5756 0.0014 -0.0205 -0.0077 210 MET B CB 4005 C CG . MET B 143 ? 0.8030 0.8460 0.7821 0.0016 -0.0225 -0.0068 210 MET B CG 4006 S SD . MET B 143 ? 0.8569 0.9024 0.8418 0.0013 -0.0245 -0.0070 210 MET B SD 4007 C CE . MET B 143 ? 1.0032 1.0465 0.9869 0.0018 -0.0265 -0.0056 210 MET B CE 4008 N N . LEU B 144 ? 0.5088 0.5525 0.4836 0.0007 -0.0173 -0.0081 211 LEU B N 4009 C CA . LEU B 144 ? 0.5135 0.5588 0.4892 -0.0001 -0.0163 -0.0086 211 LEU B CA 4010 C C . LEU B 144 ? 0.4701 0.5188 0.4505 -0.0009 -0.0165 -0.0094 211 LEU B C 4011 O O . LEU B 144 ? 0.4532 0.5020 0.4347 -0.0015 -0.0179 -0.0095 211 LEU B O 4012 C CB . LEU B 144 ? 0.5619 0.6048 0.5343 -0.0009 -0.0164 -0.0082 211 LEU B CB 4013 C CG . LEU B 144 ? 0.6725 0.7169 0.6453 -0.0016 -0.0151 -0.0084 211 LEU B CG 4014 C CD1 . LEU B 144 ? 0.6455 0.6875 0.6149 -0.0012 -0.0143 -0.0078 211 LEU B CD1 4015 C CD2 . LEU B 144 ? 0.7087 0.7544 0.6828 -0.0033 -0.0155 -0.0088 211 LEU B CD2 4016 N N . ALA B 145 ? 0.4901 0.5417 0.4729 -0.0010 -0.0152 -0.0101 212 ALA B N 4017 C CA . ALA B 145 ? 0.4841 0.5392 0.4717 -0.0017 -0.0151 -0.0112 212 ALA B CA 4018 C C . ALA B 145 ? 0.4935 0.5507 0.4816 -0.0033 -0.0140 -0.0118 212 ALA B C 4019 O O . ALA B 145 ? 0.4677 0.5277 0.4592 -0.0043 -0.0140 -0.0127 212 ALA B O 4020 C CB . ALA B 145 ? 0.4959 0.5531 0.4868 -0.0008 -0.0144 -0.0119 212 ALA B CB 4021 N N . ASP B 146 ? 0.5271 0.5834 0.5121 -0.0036 -0.0129 -0.0113 213 ASP B N 4022 C CA . ASP B 146 ? 0.5167 0.5749 0.5018 -0.0054 -0.0119 -0.0117 213 ASP B CA 4023 C C . ASP B 146 ? 0.4940 0.5499 0.4749 -0.0055 -0.0114 -0.0106 213 ASP B C 4024 O O . ASP B 146 ? 0.4817 0.5352 0.4604 -0.0041 -0.0114 -0.0098 213 ASP B O 4025 C CB . ASP B 146 ? 0.4645 0.5267 0.4532 -0.0058 -0.0104 -0.0130 213 ASP B CB 4026 C CG . ASP B 146 ? 0.5260 0.5914 0.5168 -0.0079 -0.0097 -0.0140 213 ASP B CG 4027 O OD1 . ASP B 146 ? 0.5063 0.5706 0.4952 -0.0092 -0.0103 -0.0134 213 ASP B OD1 4028 O OD2 . ASP B 146 ? 0.5589 0.6278 0.5532 -0.0083 -0.0085 -0.0155 213 ASP B OD2 4029 N N . SER B 147 ? 0.4552 0.5118 0.4352 -0.0072 -0.0108 -0.0105 214 SER B N 4030 C CA . SER B 147 ? 0.4548 0.5095 0.4313 -0.0074 -0.0104 -0.0093 214 SER B CA 4031 C C . SER B 147 ? 0.4405 0.4977 0.4173 -0.0095 -0.0094 -0.0095 214 SER B C 4032 O O . SER B 147 ? 0.4390 0.4987 0.4180 -0.0110 -0.0093 -0.0104 214 SER B O 4033 C CB . SER B 147 ? 0.4256 0.4763 0.3989 -0.0072 -0.0115 -0.0083 214 SER B CB 4034 O OG . SER B 147 ? 0.4267 0.4773 0.4001 -0.0089 -0.0121 -0.0084 214 SER B OG 4035 N N . ILE B 148 ? 0.4199 0.4765 0.3945 -0.0097 -0.0089 -0.0085 215 ILE B N 4036 C CA . ILE B 148 ? 0.4721 0.5307 0.4461 -0.0120 -0.0082 -0.0083 215 ILE B CA 4037 C C . ILE B 148 ? 0.4897 0.5452 0.4601 -0.0122 -0.0087 -0.0065 215 ILE B C 4038 O O . ILE B 148 ? 0.4881 0.5414 0.4571 -0.0104 -0.0089 -0.0057 215 ILE B O 4039 C CB . ILE B 148 ? 0.4685 0.5311 0.4446 -0.0127 -0.0067 -0.0094 215 ILE B CB 4040 C CG1 . ILE B 148 ? 0.5119 0.5769 0.4876 -0.0155 -0.0060 -0.0095 215 ILE B CG1 4041 C CG2 . ILE B 148 ? 0.5390 0.6009 0.5138 -0.0115 -0.0064 -0.0086 215 ILE B CG2 4042 C CD1 . ILE B 148 ? 0.5542 0.6237 0.5325 -0.0165 -0.0044 -0.0111 215 ILE B CD1 4043 N N . GLY B 149 ? 0.5170 0.5723 0.4859 -0.0144 -0.0089 -0.0058 216 GLY B N 4044 C CA . GLY B 149 ? 0.5277 0.5803 0.4935 -0.0149 -0.0095 -0.0039 216 GLY B CA 4045 C C . GLY B 149 ? 0.4948 0.5497 0.4600 -0.0160 -0.0087 -0.0033 216 GLY B C 4046 O O . GLY B 149 ? 0.5514 0.6102 0.5184 -0.0172 -0.0076 -0.0045 216 GLY B O 4047 N N . SER B 150 ? 0.5360 0.5884 0.4989 -0.0158 -0.0094 -0.0014 217 SER B N 4048 C CA . SER B 150 ? 0.4856 0.5397 0.4475 -0.0171 -0.0090 -0.0004 217 SER B CA 4049 C C . SER B 150 ? 0.5031 0.5598 0.4644 -0.0205 -0.0086 -0.0005 217 SER B C 4050 O O . SER B 150 ? 0.5074 0.5625 0.4676 -0.0220 -0.0093 0.0000 217 SER B O 4051 C CB . SER B 150 ? 0.5138 0.5640 0.4732 -0.0162 -0.0103 0.0018 217 SER B CB 4052 O OG . SER B 150 ? 0.5744 0.6259 0.5328 -0.0174 -0.0104 0.0032 217 SER B OG 4053 N N . TRP B 151 ? 0.5511 0.6118 0.5132 -0.0220 -0.0074 -0.0012 218 TRP B N 4054 C CA . TRP B 151 ? 0.5734 0.6372 0.5350 -0.0255 -0.0067 -0.0015 218 TRP B CA 4055 C C . TRP B 151 ? 0.5707 0.6340 0.5291 -0.0276 -0.0074 0.0006 218 TRP B C 4056 O O . TRP B 151 ? 0.5376 0.6024 0.4949 -0.0307 -0.0072 0.0008 218 TRP B O 4057 C CB . TRP B 151 ? 0.5046 0.5731 0.4689 -0.0262 -0.0049 -0.0039 218 TRP B CB 4058 C CG . TRP B 151 ? 0.4954 0.5652 0.4603 -0.0247 -0.0042 -0.0043 218 TRP B CG 4059 C CD1 . TRP B 151 ? 0.5403 0.6115 0.5035 -0.0260 -0.0040 -0.0034 218 TRP B CD1 4060 C CD2 . TRP B 151 ? 0.4913 0.5613 0.4587 -0.0220 -0.0038 -0.0056 218 TRP B CD2 4061 N NE1 . TRP B 151 ? 0.4789 0.5513 0.4435 -0.0243 -0.0033 -0.0042 218 TRP B NE1 4062 C CE2 . TRP B 151 ? 0.4804 0.5520 0.4476 -0.0217 -0.0032 -0.0056 218 TRP B CE2 4063 C CE3 . TRP B 151 ? 0.4609 0.5297 0.4306 -0.0197 -0.0041 -0.0067 218 TRP B CE3 4064 C CZ2 . TRP B 151 ? 0.4920 0.5640 0.4611 -0.0194 -0.0027 -0.0066 218 TRP B CZ2 4065 C CZ3 . TRP B 151 ? 0.5017 0.5709 0.4733 -0.0174 -0.0036 -0.0077 218 TRP B CZ3 4066 C CH2 . TRP B 151 ? 0.4820 0.5528 0.4534 -0.0173 -0.0029 -0.0077 218 TRP B CH2 4067 N N . SER B 152 ? 0.5761 0.6376 0.5334 -0.0261 -0.0082 0.0023 219 SER B N 4068 C CA . SER B 152 ? 0.6100 0.6707 0.5645 -0.0279 -0.0092 0.0048 219 SER B CA 4069 C C . SER B 152 ? 0.6216 0.6773 0.5746 -0.0262 -0.0111 0.0072 219 SER B C 4070 O O . SER B 152 ? 0.6265 0.6811 0.5776 -0.0273 -0.0123 0.0095 219 SER B O 4071 C CB . SER B 152 ? 0.6488 0.7122 0.6033 -0.0280 -0.0086 0.0049 219 SER B CB 4072 O OG . SER B 152 ? 0.7323 0.8002 0.6879 -0.0299 -0.0068 0.0027 219 SER B OG 4073 N N . GLN B 153 ? 0.7291 0.7818 0.6832 -0.0235 -0.0114 0.0066 220 GLN B N 4074 C CA . GLN B 153 ? 0.6904 0.7381 0.6434 -0.0218 -0.0130 0.0085 220 GLN B CA 4075 C C . GLN B 153 ? 0.6543 0.7008 0.6070 -0.0202 -0.0139 0.0103 220 GLN B C 4076 O O . GLN B 153 ? 0.5641 0.6074 0.5155 -0.0201 -0.0154 0.0125 220 GLN B O 4077 C CB . GLN B 153 ? 0.7092 0.7547 0.6603 -0.0242 -0.0141 0.0097 220 GLN B CB 4078 C CG . GLN B 153 ? 0.8676 0.9145 0.8195 -0.0254 -0.0132 0.0077 220 GLN B CG 4079 C CD . GLN B 153 ? 1.0449 1.0877 0.9956 -0.0257 -0.0144 0.0084 220 GLN B CD 4080 O OE1 . GLN B 153 ? 1.2504 1.2907 1.2019 -0.0234 -0.0145 0.0074 220 GLN B OE1 4081 N NE2 . GLN B 153 ? 0.9274 0.9690 0.8759 -0.0284 -0.0153 0.0101 220 GLN B NE2 4082 N N . ASN B 154 ? 0.6306 0.6799 0.5848 -0.0190 -0.0129 0.0095 221 ASN B N 4083 C CA . ASN B 154 ? 0.6902 0.7392 0.6445 -0.0174 -0.0136 0.0110 221 ASN B CA 4084 C C . ASN B 154 ? 0.5910 0.6418 0.5474 -0.0150 -0.0124 0.0095 221 ASN B C 4085 O O . ASN B 154 ? 0.6516 0.7058 0.6084 -0.0156 -0.0117 0.0092 221 ASN B O 4086 C CB . ASN B 154 ? 0.7079 0.7594 0.6607 -0.0204 -0.0140 0.0126 221 ASN B CB 4087 C CG . ASN B 154 ? 0.8171 0.8675 0.7697 -0.0194 -0.0154 0.0150 221 ASN B CG 4088 O OD1 . ASN B 154 ? 0.7886 0.8364 0.7424 -0.0164 -0.0159 0.0155 221 ASN B OD1 4089 N ND2 . ASN B 154 ? 0.8532 0.9057 0.8042 -0.0222 -0.0159 0.0166 221 ASN B ND2 4090 N N . ILE B 155 ? 0.5688 0.6173 0.5261 -0.0124 -0.0123 0.0085 222 ILE B N 4091 C CA . ILE B 155 ? 0.5577 0.6070 0.5168 -0.0098 -0.0114 0.0073 222 ILE B CA 4092 C C . ILE B 155 ? 0.5464 0.5994 0.5068 -0.0104 -0.0099 0.0051 222 ILE B C 4093 O O . ILE B 155 ? 0.4848 0.5409 0.4458 -0.0109 -0.0093 0.0049 222 ILE B O 4094 C CB . ILE B 155 ? 0.5568 0.6062 0.5163 -0.0083 -0.0119 0.0088 222 ILE B CB 4095 C CG1 . ILE B 155 ? 0.5884 0.6341 0.5472 -0.0075 -0.0134 0.0109 222 ILE B CG1 4096 C CG2 . ILE B 155 ? 0.5992 0.6487 0.5603 -0.0056 -0.0110 0.0075 222 ILE B CG2 4097 C CD1 . ILE B 155 ? 0.6156 0.6618 0.5749 -0.0066 -0.0141 0.0127 222 ILE B CD1 4098 N N . LEU B 156 ? 0.5362 0.5888 0.4970 -0.0106 -0.0095 0.0036 223 LEU B N 4099 C CA . LEU B 156 ? 0.5409 0.5965 0.5036 -0.0106 -0.0082 0.0014 223 LEU B CA 4100 C C . LEU B 156 ? 0.5284 0.5839 0.4923 -0.0080 -0.0079 0.0010 223 LEU B C 4101 O O . LEU B 156 ? 0.5602 0.6128 0.5237 -0.0059 -0.0084 0.0014 223 LEU B O 4102 C CB . LEU B 156 ? 0.5105 0.5652 0.4739 -0.0107 -0.0082 0.0001 223 LEU B CB 4103 C CG . LEU B 156 ? 0.5186 0.5758 0.4843 -0.0105 -0.0072 -0.0020 223 LEU B CG 4104 C CD1 . LEU B 156 ? 0.5551 0.6165 0.5217 -0.0128 -0.0061 -0.0029 223 LEU B CD1 4105 C CD2 . LEU B 156 ? 0.4965 0.5523 0.4627 -0.0105 -0.0076 -0.0028 223 LEU B CD2 4106 N N . ARG B 157 ? 0.5753 0.6339 0.5403 -0.0083 -0.0069 0.0002 224 ARG B N 4107 C CA . ARG B 157 ? 0.5659 0.6249 0.5319 -0.0063 -0.0065 0.0000 224 ARG B CA 4108 C C . ARG B 157 ? 0.5607 0.6229 0.5286 -0.0068 -0.0053 -0.0019 224 ARG B C 4109 O O . ARG B 157 ? 0.5315 0.5962 0.4998 -0.0089 -0.0047 -0.0028 224 ARG B O 4110 C CB . ARG B 157 ? 0.5672 0.6266 0.5324 -0.0061 -0.0069 0.0016 224 ARG B CB 4111 C CG . ARG B 157 ? 0.6287 0.6906 0.5930 -0.0088 -0.0069 0.0024 224 ARG B CG 4112 C CD . ARG B 157 ? 0.7578 0.8190 0.7208 -0.0090 -0.0081 0.0048 224 ARG B CD 4113 N NE . ARG B 157 ? 0.7596 0.8234 0.7215 -0.0119 -0.0081 0.0055 224 ARG B NE 4114 C CZ . ARG B 157 ? 0.8013 0.8647 0.7615 -0.0142 -0.0088 0.0065 224 ARG B CZ 4115 N NH1 . ARG B 157 ? 0.9515 1.0176 0.9105 -0.0170 -0.0088 0.0072 224 ARG B NH1 4116 N NH2 . ARG B 157 ? 0.7860 0.8464 0.7455 -0.0141 -0.0095 0.0069 224 ARG B NH2 4117 N N . THR B 158 ? 0.4964 0.5585 0.4653 -0.0049 -0.0050 -0.0025 225 THR B N 4118 C CA . THR B 158 ? 0.4779 0.5425 0.4488 -0.0051 -0.0039 -0.0042 225 THR B CA 4119 C C . THR B 158 ? 0.4657 0.5314 0.4369 -0.0043 -0.0035 -0.0041 225 THR B C 4120 O O . THR B 158 ? 0.4974 0.5631 0.4675 -0.0042 -0.0038 -0.0026 225 THR B O 4121 C CB . THR B 158 ? 0.5518 0.6152 0.5241 -0.0042 -0.0040 -0.0056 225 THR B CB 4122 O OG1 . THR B 158 ? 0.5149 0.5807 0.4895 -0.0045 -0.0031 -0.0073 225 THR B OG1 4123 C CG2 . THR B 158 ? 0.5421 0.6025 0.5138 -0.0019 -0.0046 -0.0051 225 THR B CG2 4124 N N . GLN B 159 ? 0.5242 0.5908 0.4971 -0.0036 -0.0029 -0.0055 226 GLN B N 4125 C CA . GLN B 159 ? 0.5036 0.5719 0.4770 -0.0034 -0.0023 -0.0056 226 GLN B CA 4126 C C . GLN B 159 ? 0.4496 0.5165 0.4222 -0.0016 -0.0027 -0.0043 226 GLN B C 4127 O O . GLN B 159 ? 0.4413 0.5097 0.4137 -0.0018 -0.0024 -0.0037 226 GLN B O 4128 C CB . GLN B 159 ? 0.5448 0.6141 0.5204 -0.0033 -0.0015 -0.0075 226 GLN B CB 4129 C CG . GLN B 159 ? 0.5544 0.6259 0.5313 -0.0052 -0.0008 -0.0091 226 GLN B CG 4130 C CD . GLN B 159 ? 0.5099 0.5822 0.4896 -0.0049 -0.0001 -0.0111 226 GLN B CD 4131 O OE1 . GLN B 159 ? 0.5679 0.6418 0.5492 -0.0061 0.0004 -0.0127 226 GLN B OE1 4132 N NE2 . GLN B 159 ? 0.5882 0.6599 0.5685 -0.0036 -0.0001 -0.0112 226 GLN B NE2 4133 N N . GLU B 160 ? 0.4098 0.4740 0.3821 0.0001 -0.0032 -0.0040 227 GLU B N 4134 C CA . GLU B 160 ? 0.4439 0.5070 0.4159 0.0018 -0.0032 -0.0033 227 GLU B CA 4135 C C . GLU B 160 ? 0.4629 0.5272 0.4361 0.0021 -0.0026 -0.0042 227 GLU B C 4136 O O . GLU B 160 ? 0.4542 0.5189 0.4273 0.0029 -0.0024 -0.0036 227 GLU B O 4137 C CB . GLU B 160 ? 0.4933 0.5565 0.4644 0.0021 -0.0036 -0.0016 227 GLU B CB 4138 C CG . GLU B 160 ? 0.5569 0.6194 0.5269 0.0013 -0.0043 -0.0005 227 GLU B CG 4139 C CD . GLU B 160 ? 0.6309 0.6903 0.6001 0.0019 -0.0049 -0.0005 227 GLU B CD 4140 O OE1 . GLU B 160 ? 0.6634 0.7210 0.6326 0.0032 -0.0048 -0.0012 227 GLU B OE1 4141 O OE2 . GLU B 160 ? 0.7098 0.7685 0.6781 0.0009 -0.0055 0.0002 227 GLU B OE2 4142 N N . SER B 161 ? 0.4625 0.5276 0.4371 0.0015 -0.0023 -0.0056 228 SER B N 4143 C CA . SER B 161 ? 0.4353 0.5011 0.4113 0.0018 -0.0018 -0.0066 228 SER B CA 4144 C C . SER B 161 ? 0.4307 0.4962 0.4085 0.0016 -0.0018 -0.0081 228 SER B C 4145 O O . SER B 161 ? 0.4260 0.4910 0.4039 0.0012 -0.0022 -0.0084 228 SER B O 4146 C CB . SER B 161 ? 0.4290 0.4974 0.4054 0.0007 -0.0011 -0.0067 228 SER B CB 4147 O OG . SER B 161 ? 0.4713 0.5417 0.4481 -0.0011 -0.0006 -0.0076 228 SER B OG 4148 N N . GLU B 162 ? 0.4376 0.5035 0.4170 0.0018 -0.0015 -0.0090 229 GLU B N 4149 C CA . GLU B 162 ? 0.4506 0.5158 0.4319 0.0020 -0.0018 -0.0101 229 GLU B CA 4150 C C . GLU B 162 ? 0.4846 0.5518 0.4677 0.0006 -0.0013 -0.0115 229 GLU B C 4151 O O . GLU B 162 ? 0.4794 0.5490 0.4628 -0.0007 -0.0003 -0.0122 229 GLU B O 4152 C CB . GLU B 162 ? 0.4426 0.5074 0.4254 0.0027 -0.0019 -0.0107 229 GLU B CB 4153 C CG . GLU B 162 ? 0.4670 0.5338 0.4516 0.0017 -0.0009 -0.0119 229 GLU B CG 4154 C CD . GLU B 162 ? 0.5644 0.6301 0.5509 0.0025 -0.0012 -0.0125 229 GLU B CD 4155 O OE1 . GLU B 162 ? 0.5826 0.6496 0.5708 0.0018 -0.0005 -0.0137 229 GLU B OE1 4156 O OE2 . GLU B 162 ? 0.5212 0.5846 0.5074 0.0036 -0.0023 -0.0118 229 GLU B OE2 4157 N N . CYS B 163 ? 0.4442 0.5107 0.4285 0.0008 -0.0018 -0.0121 230 CYS B N 4158 C CA . CYS B 163 ? 0.4795 0.5481 0.4663 -0.0004 -0.0012 -0.0138 230 CYS B CA 4159 C C . CYS B 163 ? 0.4313 0.5004 0.4213 0.0000 -0.0009 -0.0152 230 CYS B C 4160 O O . CYS B 163 ? 0.4443 0.5120 0.4341 0.0010 -0.0013 -0.0147 230 CYS B O 4161 C CB . CYS B 163 ? 0.4874 0.5553 0.4746 -0.0005 -0.0019 -0.0138 230 CYS B CB 4162 S SG . CYS B 163 ? 0.5508 0.6152 0.5371 0.0012 -0.0036 -0.0126 230 CYS B SG 4163 N N . VAL B 164 ? 0.4329 0.5040 0.4259 -0.0008 -0.0002 -0.0171 231 VAL B N 4164 C CA . VAL B 164 ? 0.4278 0.4994 0.4243 -0.0005 0.0001 -0.0188 231 VAL B CA 4165 C C . VAL B 164 ? 0.4670 0.5394 0.4674 -0.0003 0.0000 -0.0202 231 VAL B C 4166 O O . VAL B 164 ? 0.5591 0.6333 0.5599 -0.0015 0.0004 -0.0209 231 VAL B O 4167 C CB . VAL B 164 ? 0.4770 0.5511 0.4739 -0.0019 0.0017 -0.0202 231 VAL B CB 4168 C CG1 . VAL B 164 ? 0.4543 0.5286 0.4548 -0.0015 0.0022 -0.0219 231 VAL B CG1 4169 C CG2 . VAL B 164 ? 0.4867 0.5607 0.4801 -0.0023 0.0019 -0.0188 231 VAL B CG2 4170 N N . CYS B 165 ? 0.4499 0.5210 0.4530 0.0009 -0.0009 -0.0205 232 CYS B N 4171 C CA . CYS B 165 ? 0.5193 0.5909 0.5266 0.0013 -0.0015 -0.0217 232 CYS B CA 4172 C C . CYS B 165 ? 0.5312 0.6037 0.5429 0.0016 -0.0008 -0.0236 232 CYS B C 4173 O O . CYS B 165 ? 0.4988 0.5697 0.5104 0.0024 -0.0012 -0.0232 232 CYS B O 4174 C CB . CYS B 165 ? 0.5684 0.6373 0.5755 0.0027 -0.0036 -0.0201 232 CYS B CB 4175 S SG . CYS B 165 ? 0.6562 0.7230 0.6579 0.0027 -0.0045 -0.0177 232 CYS B SG 4176 N N . ILE B 166 ? 0.4901 0.5650 0.5057 0.0010 0.0000 -0.0258 233 ILE B N 4177 C CA . ILE B 166 ? 0.4894 0.5651 0.5101 0.0015 0.0005 -0.0279 233 ILE B CA 4178 C C . ILE B 166 ? 0.4997 0.5762 0.5253 0.0022 -0.0002 -0.0288 233 ILE B C 4179 O O . ILE B 166 ? 0.4665 0.5454 0.4930 0.0013 0.0004 -0.0297 233 ILE B O 4180 C CB . ILE B 166 ? 0.5346 0.6132 0.5562 0.0000 0.0029 -0.0303 233 ILE B CB 4181 C CG1 . ILE B 166 ? 0.6096 0.6873 0.6267 -0.0006 0.0035 -0.0293 233 ILE B CG1 4182 C CG2 . ILE B 166 ? 0.4866 0.5660 0.5142 0.0006 0.0036 -0.0329 233 ILE B CG2 4183 C CD1 . ILE B 166 ? 0.5848 0.6652 0.6016 -0.0025 0.0058 -0.0314 233 ILE B CD1 4184 N N . ASN B 167 ? 0.4658 0.5405 0.4947 0.0038 -0.0017 -0.0286 234 ASN B N 4185 C CA . ASN B 167 ? 0.5536 0.6290 0.5878 0.0047 -0.0027 -0.0293 234 ASN B CA 4186 C C . ASN B 167 ? 0.4581 0.5339 0.4908 0.0044 -0.0038 -0.0280 234 ASN B C 4187 O O . ASN B 167 ? 0.4966 0.5747 0.5328 0.0041 -0.0035 -0.0294 234 ASN B O 4188 C CB . ASN B 167 ? 0.6087 0.6874 0.6486 0.0043 -0.0008 -0.0327 234 ASN B CB 4189 C CG . ASN B 167 ? 0.7703 0.8491 0.8170 0.0058 -0.0023 -0.0334 234 ASN B CG 4190 O OD1 . ASN B 167 ? 0.8832 0.9590 0.9300 0.0072 -0.0046 -0.0314 234 ASN B OD1 4191 N ND2 . ASN B 167 ? 1.0452 1.1272 1.0973 0.0056 -0.0009 -0.0361 234 ASN B ND2 4192 N N . GLY B 168 ? 0.4601 0.5335 0.4875 0.0044 -0.0049 -0.0256 235 GLY B N 4193 C CA . GLY B 168 ? 0.4732 0.5463 0.4988 0.0042 -0.0062 -0.0243 235 GLY B CA 4194 C C . GLY B 168 ? 0.4777 0.5525 0.5001 0.0025 -0.0048 -0.0244 235 GLY B C 4195 O O . GLY B 168 ? 0.4942 0.5684 0.5144 0.0022 -0.0057 -0.0232 235 GLY B O 4196 N N . THR B 169 ? 0.4910 0.5680 0.5130 0.0013 -0.0026 -0.0260 236 THR B N 4197 C CA . THR B 169 ? 0.4643 0.5428 0.4829 -0.0004 -0.0014 -0.0259 236 THR B CA 4198 C C . THR B 169 ? 0.4348 0.5119 0.4482 -0.0008 -0.0009 -0.0245 236 THR B C 4199 O O . THR B 169 ? 0.4599 0.5373 0.4733 -0.0008 0.0000 -0.0252 236 THR B O 4200 C CB . THR B 169 ? 0.4742 0.5566 0.4957 -0.0019 0.0007 -0.0285 236 THR B CB 4201 O OG1 . THR B 169 ? 0.4682 0.5524 0.4948 -0.0016 0.0004 -0.0299 236 THR B OG1 4202 C CG2 . THR B 169 ? 0.4838 0.5676 0.5014 -0.0040 0.0018 -0.0282 236 THR B CG2 4203 N N . CYS B 170 ? 0.4624 0.5379 0.4714 -0.0011 -0.0016 -0.0226 237 CYS B N 4204 C CA . CYS B 170 ? 0.4805 0.5547 0.4848 -0.0013 -0.0014 -0.0211 237 CYS B CA 4205 C C . CYS B 170 ? 0.4565 0.5326 0.4584 -0.0032 -0.0002 -0.0212 237 CYS B C 4206 O O . CYS B 170 ? 0.5192 0.5961 0.5211 -0.0042 -0.0002 -0.0213 237 CYS B O 4207 C CB . CYS B 170 ? 0.5481 0.6189 0.5491 -0.0001 -0.0031 -0.0188 237 CYS B CB 4208 S SG . CYS B 170 ? 0.6245 0.6927 0.6275 0.0018 -0.0050 -0.0182 237 CYS B SG 4209 N N . THR B 171 ? 0.4536 0.5299 0.4530 -0.0038 0.0006 -0.0209 238 THR B N 4210 C CA . THR B 171 ? 0.4626 0.5405 0.4593 -0.0058 0.0015 -0.0206 238 THR B CA 4211 C C . THR B 171 ? 0.4380 0.5139 0.4303 -0.0055 0.0009 -0.0183 238 THR B C 4212 O O . THR B 171 ? 0.4320 0.5064 0.4234 -0.0043 0.0005 -0.0175 238 THR B O 4213 C CB . THR B 171 ? 0.5097 0.5907 0.5078 -0.0074 0.0034 -0.0227 238 THR B CB 4214 O OG1 . THR B 171 ? 0.4724 0.5552 0.4681 -0.0096 0.0042 -0.0225 238 THR B OG1 4215 C CG2 . THR B 171 ? 0.4988 0.5792 0.4960 -0.0068 0.0038 -0.0225 238 THR B CG2 4216 N N . VAL B 172 ? 0.4952 0.5712 0.4849 -0.0068 0.0008 -0.0173 239 VAL B N 4217 C CA . VAL B 172 ? 0.4781 0.5523 0.4639 -0.0066 0.0001 -0.0151 239 VAL B CA 4218 C C . VAL B 172 ? 0.4451 0.5208 0.4287 -0.0089 0.0006 -0.0146 239 VAL B C 4219 O O . VAL B 172 ? 0.4516 0.5288 0.4361 -0.0104 0.0010 -0.0155 239 VAL B O 4220 C CB . VAL B 172 ? 0.5513 0.6223 0.5358 -0.0050 -0.0013 -0.0136 239 VAL B CB 4221 C CG1 . VAL B 172 ? 0.5598 0.6306 0.5443 -0.0059 -0.0017 -0.0136 239 VAL B CG1 4222 C CG2 . VAL B 172 ? 0.5793 0.6483 0.5604 -0.0044 -0.0018 -0.0116 239 VAL B CG2 4223 N N . VAL B 173 ? 0.3946 0.4702 0.3757 -0.0093 0.0006 -0.0133 240 VAL B N 4224 C CA . VAL B 173 ? 0.4069 0.4841 0.3858 -0.0116 0.0009 -0.0126 240 VAL B CA 4225 C C . VAL B 173 ? 0.4260 0.5004 0.4021 -0.0110 -0.0003 -0.0103 240 VAL B C 4226 O O . VAL B 173 ? 0.4703 0.5425 0.4456 -0.0091 -0.0011 -0.0090 240 VAL B O 4227 C CB . VAL B 173 ? 0.4792 0.5581 0.4570 -0.0126 0.0017 -0.0126 240 VAL B CB 4228 C CG1 . VAL B 173 ? 0.4596 0.5402 0.4350 -0.0153 0.0018 -0.0117 240 VAL B CG1 4229 C CG2 . VAL B 173 ? 0.4870 0.5683 0.4675 -0.0130 0.0031 -0.0150 240 VAL B CG2 4230 N N . MET B 174 ? 0.4538 0.5284 0.4286 -0.0128 -0.0006 -0.0097 241 MET B N 4231 C CA . MET B 174 ? 0.4828 0.5546 0.4551 -0.0125 -0.0019 -0.0075 241 MET B CA 4232 C C . MET B 174 ? 0.4852 0.5582 0.4552 -0.0151 -0.0020 -0.0064 241 MET B C 4233 O O . MET B 174 ? 0.5133 0.5892 0.4836 -0.0175 -0.0010 -0.0075 241 MET B O 4234 C CB . MET B 174 ? 0.4706 0.5407 0.4437 -0.0120 -0.0025 -0.0079 241 MET B CB 4235 C CG . MET B 174 ? 0.4910 0.5597 0.4661 -0.0096 -0.0027 -0.0088 241 MET B CG 4236 S SD . MET B 174 ? 0.5977 0.6634 0.5727 -0.0089 -0.0039 -0.0084 241 MET B SD 4237 C CE . MET B 174 ? 0.6151 0.6768 0.5870 -0.0073 -0.0051 -0.0062 241 MET B CE 4238 N N . THR B 175 ? 0.5130 0.5839 0.4808 -0.0147 -0.0032 -0.0041 242 THR B N 4239 C CA . THR B 175 ? 0.5077 0.5792 0.4732 -0.0171 -0.0036 -0.0025 242 THR B CA 4240 C C . THR B 175 ? 0.5185 0.5865 0.4824 -0.0166 -0.0051 -0.0006 242 THR B C 4241 O O . THR B 175 ? 0.4984 0.5635 0.4625 -0.0141 -0.0058 0.0000 242 THR B O 4242 C CB . THR B 175 ? 0.5851 0.6577 0.5496 -0.0172 -0.0038 -0.0013 242 THR B CB 4243 O OG1 . THR B 175 ? 0.6099 0.6856 0.5757 -0.0178 -0.0024 -0.0032 242 THR B OG1 4244 C CG2 . THR B 175 ? 0.5981 0.6713 0.5599 -0.0199 -0.0045 0.0005 242 THR B CG2 4245 N N . ASP B 176 ? 0.5397 0.6080 0.5020 -0.0192 -0.0054 0.0000 243 ASP B N 4246 C CA . ASP B 176 ? 0.5262 0.5911 0.4867 -0.0191 -0.0069 0.0020 243 ASP B CA 4247 C C . ASP B 176 ? 0.6152 0.6808 0.5732 -0.0218 -0.0076 0.0040 243 ASP B C 4248 O O . ASP B 176 ? 0.5889 0.6577 0.5463 -0.0246 -0.0067 0.0033 243 ASP B O 4249 C CB . ASP B 176 ? 0.4929 0.5570 0.4539 -0.0198 -0.0068 0.0009 243 ASP B CB 4250 C CG . ASP B 176 ? 0.5394 0.5991 0.4990 -0.0190 -0.0083 0.0026 243 ASP B CG 4251 O OD1 . ASP B 176 ? 0.5062 0.5636 0.4641 -0.0187 -0.0095 0.0048 243 ASP B OD1 4252 O OD2 . ASP B 176 ? 0.5175 0.5761 0.4776 -0.0189 -0.0083 0.0017 243 ASP B OD2 4253 N N . GLY B 177 ? 0.7207 0.7834 0.6773 -0.0212 -0.0092 0.0064 244 GLY B N 4254 C CA . GLY B 177 ? 0.7386 0.8018 0.6928 -0.0240 -0.0101 0.0085 244 GLY B CA 4255 C C . GLY B 177 ? 0.7825 0.8457 0.7363 -0.0232 -0.0111 0.0104 244 GLY B C 4256 O O . GLY B 177 ? 0.7784 0.8411 0.7338 -0.0204 -0.0109 0.0101 244 GLY B O 4257 N N . SER B 178 ? 0.9460 1.0098 0.8976 -0.0258 -0.0121 0.0126 245 SER B N 4258 C CA . SER B 178 ? 1.1423 1.2048 1.0935 -0.0249 -0.0138 0.0153 245 SER B CA 4259 C C . SER B 178 ? 1.1034 1.1688 1.0559 -0.0239 -0.0131 0.0146 245 SER B C 4260 O O . SER B 178 ? 1.0248 1.0938 0.9764 -0.0264 -0.0120 0.0136 245 SER B O 4261 C CB . SER B 178 ? 1.2897 1.3521 1.2381 -0.0282 -0.0154 0.0179 245 SER B CB 4262 O OG . SER B 178 ? 1.3340 1.3961 1.2824 -0.0276 -0.0170 0.0205 245 SER B OG 4263 N N . ALA B 179 ? 1.0758 1.1395 1.0301 -0.0205 -0.0135 0.0150 246 ALA B N 4264 C CA . ALA B 179 ? 1.1732 1.2390 1.1288 -0.0192 -0.0132 0.0150 246 ALA B CA 4265 C C . ALA B 179 ? 1.4528 1.5204 1.4068 -0.0215 -0.0146 0.0175 246 ALA B C 4266 O O . ALA B 179 ? 1.5396 1.6054 1.4940 -0.0203 -0.0164 0.0200 246 ALA B O 4267 C CB . ALA B 179 ? 1.0997 1.1629 1.0574 -0.0153 -0.0137 0.0153 246 ALA B CB 4268 N N . SER B 180 ? 1.5142 1.5855 1.4668 -0.0246 -0.0138 0.0167 247 SER B N 4269 C CA . SER B 180 ? 1.4803 1.5535 1.4307 -0.0276 -0.0150 0.0189 247 SER B CA 4270 C C . SER B 180 ? 1.4696 1.5424 1.4171 -0.0312 -0.0157 0.0201 247 SER B C 4271 O O . SER B 180 ? 1.3137 1.3855 1.2596 -0.0325 -0.0178 0.0231 247 SER B O 4272 C CB . SER B 180 ? 1.4890 1.5609 1.4405 -0.0257 -0.0171 0.0218 247 SER B CB 4273 O OG . SER B 180 ? 1.4108 1.4784 1.3630 -0.0236 -0.0185 0.0234 247 SER B OG 4274 N N . GLY B 181 ? 1.4758 1.5497 1.4226 -0.0329 -0.0140 0.0178 248 GLY B N 4275 C CA . GLY B 181 ? 1.4336 1.5081 1.3774 -0.0369 -0.0143 0.0185 248 GLY B CA 4276 C C . GLY B 181 ? 1.3885 1.4664 1.3324 -0.0387 -0.0116 0.0149 248 GLY B C 4277 O O . GLY B 181 ? 1.2826 1.3633 1.2276 -0.0384 -0.0103 0.0131 248 GLY B O 4278 N N . ARG B 182 ? 1.4633 1.5411 1.4064 -0.0406 -0.0108 0.0139 249 ARG B N 4279 C CA . ARG B 182 ? 1.4648 1.5449 1.4096 -0.0406 -0.0083 0.0101 249 ARG B CA 4280 C C . ARG B 182 ? 1.3265 1.4037 1.2742 -0.0369 -0.0081 0.0090 249 ARG B C 4281 O O . ARG B 182 ? 1.2383 1.3122 1.1856 -0.0363 -0.0093 0.0103 249 ARG B O 4282 C CB . ARG B 182 ? 1.5616 1.6443 1.5045 -0.0449 -0.0070 0.0090 249 ARG B CB 4283 C CG . ARG B 182 ? 1.5710 1.6580 1.5122 -0.0481 -0.0057 0.0079 249 ARG B CG 4284 C CD . ARG B 182 ? 1.5956 1.6858 1.5354 -0.0521 -0.0038 0.0058 249 ARG B CD 4285 N NE . ARG B 182 ? 1.6635 1.7574 1.6011 -0.0554 -0.0030 0.0053 249 ARG B NE 4286 C CZ . ARG B 182 ? 1.5780 1.6748 1.5126 -0.0601 -0.0020 0.0049 249 ARG B CZ 4287 N NH1 . ARG B 182 ? 1.5973 1.6939 1.5309 -0.0621 -0.0018 0.0048 249 ARG B NH1 4288 N NH2 . ARG B 182 ? 1.5511 1.6511 1.4835 -0.0629 -0.0013 0.0044 249 ARG B NH2 4289 N N . ALA B 183 ? 1.0910 1.1693 1.0413 -0.0346 -0.0067 0.0066 250 ALA B N 4290 C CA . ALA B 183 ? 0.8361 0.9123 0.7891 -0.0313 -0.0063 0.0051 250 ALA B CA 4291 C C . ALA B 183 ? 0.7314 0.8103 0.6861 -0.0323 -0.0041 0.0018 250 ALA B C 4292 O O . ALA B 183 ? 0.6618 0.7442 0.6161 -0.0347 -0.0027 0.0003 250 ALA B O 4293 C CB . ALA B 183 ? 0.8027 0.8778 0.7576 -0.0278 -0.0065 0.0051 250 ALA B CB 4294 N N . ASP B 184 ? 0.6890 0.7662 0.6458 -0.0301 -0.0039 0.0006 251 ASP B N 4295 C CA . ASP B 184 ? 0.5449 0.6243 0.5038 -0.0308 -0.0022 -0.0021 251 ASP B CA 4296 C C . ASP B 184 ? 0.5624 0.6415 0.5246 -0.0274 -0.0016 -0.0039 251 ASP B C 4297 O O . ASP B 184 ? 0.4939 0.5700 0.4572 -0.0247 -0.0024 -0.0036 251 ASP B O 4298 C CB . ASP B 184 ? 0.5879 0.6658 0.5463 -0.0317 -0.0028 -0.0017 251 ASP B CB 4299 C CG . ASP B 184 ? 0.6291 0.7096 0.5898 -0.0328 -0.0011 -0.0045 251 ASP B CG 4300 O OD1 . ASP B 184 ? 0.6172 0.6996 0.5808 -0.0315 0.0001 -0.0069 251 ASP B OD1 4301 O OD2 . ASP B 184 ? 0.6937 0.7741 0.6535 -0.0348 -0.0013 -0.0042 251 ASP B OD2 4302 N N . THR B 185 ? 0.5127 0.5948 0.4762 -0.0278 -0.0001 -0.0059 252 THR B N 4303 C CA . THR B 185 ? 0.5036 0.5857 0.4701 -0.0252 0.0005 -0.0076 252 THR B CA 4304 C C . THR B 185 ? 0.5249 0.6090 0.4944 -0.0255 0.0020 -0.0105 252 THR B C 4305 O O . THR B 185 ? 0.5819 0.6692 0.5516 -0.0282 0.0033 -0.0120 252 THR B O 4306 C CB . THR B 185 ? 0.5403 0.6244 0.5066 -0.0254 0.0012 -0.0080 252 THR B CB 4307 O OG1 . THR B 185 ? 0.5126 0.5947 0.4768 -0.0245 -0.0003 -0.0052 252 THR B OG1 4308 C CG2 . THR B 185 ? 0.5501 0.6343 0.5194 -0.0230 0.0020 -0.0099 252 THR B CG2 4309 N N . ARG B 186 ? 0.5442 0.6266 0.5162 -0.0227 0.0017 -0.0112 253 ARG B N 4310 C CA . ARG B 186 ? 0.5216 0.6056 0.4972 -0.0225 0.0027 -0.0138 253 ARG B CA 4311 C C . ARG B 186 ? 0.5029 0.5861 0.4813 -0.0196 0.0028 -0.0149 253 ARG B C 4312 O O . ARG B 186 ? 0.5389 0.6195 0.5165 -0.0174 0.0017 -0.0134 253 ARG B O 4313 C CB . ARG B 186 ? 0.5186 0.6010 0.4943 -0.0225 0.0019 -0.0133 253 ARG B CB 4314 C CG . ARG B 186 ? 0.5286 0.6117 0.5015 -0.0255 0.0018 -0.0122 253 ARG B CG 4315 C CD . ARG B 186 ? 0.5983 0.6807 0.5716 -0.0263 0.0013 -0.0121 253 ARG B CD 4316 N NE . ARG B 186 ? 0.5567 0.6388 0.5264 -0.0291 0.0008 -0.0103 253 ARG B NE 4317 C CZ . ARG B 186 ? 0.6472 0.7290 0.6163 -0.0307 0.0004 -0.0100 253 ARG B CZ 4318 N NH1 . ARG B 186 ? 0.6818 0.7635 0.6536 -0.0298 0.0004 -0.0112 253 ARG B NH1 4319 N NH2 . ARG B 186 ? 0.6038 0.6853 0.5695 -0.0334 0.0000 -0.0082 253 ARG B NH2 4320 N N . ILE B 187 ? 0.4932 0.5789 0.4751 -0.0197 0.0042 -0.0175 254 ILE B N 4321 C CA . ILE B 187 ? 0.4460 0.5312 0.4309 -0.0173 0.0043 -0.0187 254 ILE B CA 4322 C C . ILE B 187 ? 0.4879 0.5727 0.4761 -0.0161 0.0039 -0.0197 254 ILE B C 4323 O O . ILE B 187 ? 0.4862 0.5735 0.4766 -0.0176 0.0049 -0.0214 254 ILE B O 4324 C CB . ILE B 187 ? 0.4342 0.5224 0.4210 -0.0183 0.0061 -0.0210 254 ILE B CB 4325 C CG1 . ILE B 187 ? 0.4616 0.5501 0.4452 -0.0193 0.0063 -0.0199 254 ILE B CG1 4326 C CG2 . ILE B 187 ? 0.4639 0.5513 0.4541 -0.0157 0.0060 -0.0222 254 ILE B CG2 4327 C CD1 . ILE B 187 ? 0.4828 0.5732 0.4633 -0.0225 0.0067 -0.0193 254 ILE B CD1 4328 N N . LEU B 188 ? 0.4953 0.5770 0.4837 -0.0136 0.0024 -0.0186 255 LEU B N 4329 C CA . LEU B 188 ? 0.4779 0.5586 0.4689 -0.0123 0.0016 -0.0190 255 LEU B CA 4330 C C . LEU B 188 ? 0.4861 0.5672 0.4810 -0.0106 0.0017 -0.0205 255 LEU B C 4331 O O . LEU B 188 ? 0.5064 0.5868 0.5010 -0.0095 0.0019 -0.0204 255 LEU B O 4332 C CB . LEU B 188 ? 0.4618 0.5388 0.4503 -0.0109 -0.0001 -0.0168 255 LEU B CB 4333 C CG . LEU B 188 ? 0.4896 0.5657 0.4751 -0.0125 -0.0006 -0.0154 255 LEU B CG 4334 C CD1 . LEU B 188 ? 0.5090 0.5853 0.4911 -0.0138 -0.0003 -0.0141 255 LEU B CD1 4335 C CD2 . LEU B 188 ? 0.5242 0.5965 0.5081 -0.0108 -0.0023 -0.0138 255 LEU B CD2 4336 N N . PHE B 189 ? 0.4495 0.5318 0.4481 -0.0104 0.0017 -0.0220 256 PHE B N 4337 C CA . PHE B 189 ? 0.4522 0.5349 0.4552 -0.0088 0.0016 -0.0234 256 PHE B CA 4338 C C . PHE B 189 ? 0.4559 0.5366 0.4599 -0.0074 -0.0001 -0.0225 256 PHE B C 4339 O O . PHE B 189 ? 0.4552 0.5366 0.4597 -0.0083 -0.0004 -0.0225 256 PHE B O 4340 C CB . PHE B 189 ? 0.4601 0.5467 0.4673 -0.0100 0.0034 -0.0262 256 PHE B CB 4341 C CG . PHE B 189 ? 0.4758 0.5646 0.4818 -0.0117 0.0053 -0.0273 256 PHE B CG 4342 C CD1 . PHE B 189 ? 0.4926 0.5832 0.4958 -0.0143 0.0063 -0.0272 256 PHE B CD1 4343 C CD2 . PHE B 189 ? 0.4584 0.5473 0.4658 -0.0109 0.0060 -0.0284 256 PHE B CD2 4344 C CE1 . PHE B 189 ? 0.4589 0.5515 0.4607 -0.0161 0.0079 -0.0282 256 PHE B CE1 4345 C CE2 . PHE B 189 ? 0.4447 0.5356 0.4508 -0.0126 0.0077 -0.0294 256 PHE B CE2 4346 C CZ . PHE B 189 ? 0.4731 0.5659 0.4763 -0.0153 0.0087 -0.0293 256 PHE B CZ 4347 N N . ILE B 190 ? 0.4921 0.5702 0.4964 -0.0053 -0.0013 -0.0217 257 ILE B N 4348 C CA . ILE B 190 ? 0.4835 0.5590 0.4876 -0.0040 -0.0033 -0.0203 257 ILE B CA 4349 C C . ILE B 190 ? 0.4685 0.5436 0.4766 -0.0023 -0.0042 -0.0210 257 ILE B C 4350 O O . ILE B 190 ? 0.4884 0.5632 0.4974 -0.0014 -0.0039 -0.0213 257 ILE B O 4351 C CB . ILE B 190 ? 0.4508 0.5228 0.4498 -0.0033 -0.0041 -0.0181 257 ILE B CB 4352 C CG1 . ILE B 190 ? 0.5223 0.5947 0.5179 -0.0049 -0.0035 -0.0174 257 ILE B CG1 4353 C CG2 . ILE B 190 ? 0.4871 0.5564 0.4852 -0.0022 -0.0060 -0.0168 257 ILE B CG2 4354 C CD1 . ILE B 190 ? 0.5569 0.6272 0.5484 -0.0045 -0.0035 -0.0158 257 ILE B CD1 4355 N N . LYS B 191 ? 0.5154 0.5904 0.5259 -0.0019 -0.0055 -0.0210 258 LYS B N 4356 C CA . LYS B 191 ? 0.5600 0.6349 0.5749 -0.0005 -0.0067 -0.0214 258 LYS B CA 4357 C C . LYS B 191 ? 0.5272 0.5992 0.5403 0.0002 -0.0090 -0.0196 258 LYS B C 4358 O O . LYS B 191 ? 0.4999 0.5722 0.5129 -0.0005 -0.0096 -0.0193 258 LYS B O 4359 C CB . LYS B 191 ? 0.6667 0.7452 0.6872 -0.0010 -0.0060 -0.0236 258 LYS B CB 4360 C CG . LYS B 191 ? 0.8810 0.9604 0.9069 0.0002 -0.0060 -0.0250 258 LYS B CG 4361 C CD . LYS B 191 ? 0.9828 1.0663 1.0148 -0.0003 -0.0048 -0.0276 258 LYS B CD 4362 C CE . LYS B 191 ? 1.1193 1.2034 1.1565 0.0009 -0.0045 -0.0292 258 LYS B CE 4363 N NZ . LYS B 191 ? 0.9788 1.0597 1.0167 0.0029 -0.0070 -0.0274 258 LYS B NZ 4364 N N . GLU B 192 ? 0.5456 0.6148 0.5573 0.0016 -0.0101 -0.0184 259 GLU B N 4365 C CA . GLU B 192 ? 0.5420 0.6080 0.5511 0.0022 -0.0123 -0.0165 259 GLU B CA 4366 C C . GLU B 192 ? 0.4759 0.5406 0.4804 0.0012 -0.0123 -0.0155 259 GLU B C 4367 O O . GLU B 192 ? 0.5048 0.5685 0.5085 0.0009 -0.0137 -0.0148 259 GLU B O 4368 C CB . GLU B 192 ? 0.5542 0.6209 0.5678 0.0026 -0.0140 -0.0168 259 GLU B CB 4369 C CG . GLU B 192 ? 0.7204 0.7874 0.7383 0.0039 -0.0146 -0.0173 259 GLU B CG 4370 C CD . GLU B 192 ? 0.8627 0.9305 0.8855 0.0043 -0.0166 -0.0173 259 GLU B CD 4371 O OE1 . GLU B 192 ? 0.9905 1.0616 1.0179 0.0038 -0.0160 -0.0189 259 GLU B OE1 4372 O OE2 . GLU B 192 ? 0.8401 0.9053 0.8619 0.0051 -0.0187 -0.0157 259 GLU B OE2 4373 N N . GLY B 193 ? 0.5080 0.5728 0.5094 0.0007 -0.0108 -0.0154 260 GLY B N 4374 C CA . GLY B 193 ? 0.4799 0.5432 0.4769 -0.0001 -0.0106 -0.0145 260 GLY B CA 4375 C C . GLY B 193 ? 0.4746 0.5399 0.4722 -0.0018 -0.0100 -0.0151 260 GLY B C 4376 O O . GLY B 193 ? 0.4952 0.5592 0.4892 -0.0025 -0.0099 -0.0143 260 GLY B O 4377 N N . LYS B 194 ? 0.4934 0.5619 0.4957 -0.0023 -0.0097 -0.0166 261 LYS B N 4378 C CA . LYS B 194 ? 0.5119 0.5828 0.5151 -0.0042 -0.0090 -0.0175 261 LYS B CA 4379 C C . LYS B 194 ? 0.5075 0.5811 0.5111 -0.0053 -0.0068 -0.0186 261 LYS B C 4380 O O . LYS B 194 ? 0.4995 0.5750 0.5060 -0.0048 -0.0058 -0.0199 261 LYS B O 4381 C CB . LYS B 194 ? 0.5699 0.6432 0.5784 -0.0043 -0.0096 -0.0186 261 LYS B CB 4382 C CG . LYS B 194 ? 0.6763 0.7485 0.6838 -0.0050 -0.0112 -0.0178 261 LYS B CG 4383 C CD . LYS B 194 ? 0.8210 0.8893 0.8254 -0.0038 -0.0131 -0.0161 261 LYS B CD 4384 C CE . LYS B 194 ? 0.8290 0.8965 0.8328 -0.0048 -0.0146 -0.0155 261 LYS B CE 4385 N NZ . LYS B 194 ? 0.8216 0.8852 0.8221 -0.0039 -0.0164 -0.0140 261 LYS B NZ 4386 N N . ILE B 195 ? 0.4737 0.5475 0.4743 -0.0069 -0.0062 -0.0182 262 ILE B N 4387 C CA . ILE B 195 ? 0.5043 0.5809 0.5049 -0.0085 -0.0042 -0.0192 262 ILE B CA 4388 C C . ILE B 195 ? 0.4869 0.5676 0.4923 -0.0097 -0.0031 -0.0214 262 ILE B C 4389 O O . ILE B 195 ? 0.5172 0.5987 0.5235 -0.0107 -0.0035 -0.0215 262 ILE B O 4390 C CB . ILE B 195 ? 0.5111 0.5866 0.5072 -0.0102 -0.0040 -0.0179 262 ILE B CB 4391 C CG1 . ILE B 195 ? 0.5917 0.6632 0.5836 -0.0088 -0.0050 -0.0159 262 ILE B CG1 4392 C CG2 . ILE B 195 ? 0.5043 0.5828 0.5001 -0.0120 -0.0021 -0.0188 262 ILE B CG2 4393 C CD1 . ILE B 195 ? 0.6283 0.6979 0.6160 -0.0100 -0.0053 -0.0144 262 ILE B CD1 4394 N N . VAL B 196 ? 0.4799 0.5631 0.4884 -0.0095 -0.0017 -0.0232 263 VAL B N 4395 C CA . VAL B 196 ? 0.5261 0.6134 0.5397 -0.0105 -0.0005 -0.0256 263 VAL B CA 4396 C C . VAL B 196 ? 0.5021 0.5926 0.5151 -0.0129 0.0017 -0.0270 263 VAL B C 4397 O O . VAL B 196 ? 0.5491 0.6431 0.5654 -0.0142 0.0028 -0.0288 263 VAL B O 4398 C CB . VAL B 196 ? 0.5752 0.6635 0.5943 -0.0086 -0.0005 -0.0271 263 VAL B CB 4399 C CG1 . VAL B 196 ? 0.5526 0.6383 0.5729 -0.0066 -0.0030 -0.0258 263 VAL B CG1 4400 C CG2 . VAL B 196 ? 0.5462 0.6340 0.5645 -0.0079 0.0004 -0.0276 263 VAL B CG2 4401 N N . HIS B 197 ? 0.5381 0.6276 0.5469 -0.0135 0.0023 -0.0261 264 HIS B N 4402 C CA . HIS B 197 ? 0.4958 0.5882 0.5032 -0.0161 0.0043 -0.0271 264 HIS B CA 4403 C C . HIS B 197 ? 0.4994 0.5895 0.5011 -0.0166 0.0040 -0.0250 264 HIS B C 4404 O O . HIS B 197 ? 0.5374 0.6245 0.5374 -0.0147 0.0030 -0.0236 264 HIS B O 4405 C CB . HIS B 197 ? 0.5365 0.6321 0.5478 -0.0163 0.0063 -0.0299 264 HIS B CB 4406 C CG . HIS B 197 ? 0.6095 0.7088 0.6202 -0.0193 0.0085 -0.0316 264 HIS B CG 4407 N ND1 . HIS B 197 ? 0.6777 0.7774 0.6849 -0.0207 0.0097 -0.0314 264 HIS B ND1 4408 C CD2 . HIS B 197 ? 0.6709 0.7739 0.6839 -0.0214 0.0098 -0.0333 264 HIS B CD2 4409 C CE1 . HIS B 197 ? 0.6991 0.8024 0.7063 -0.0237 0.0116 -0.0331 264 HIS B CE1 4410 N NE2 . HIS B 197 ? 0.6687 0.7741 0.6793 -0.0242 0.0118 -0.0342 264 HIS B NE2 4411 N N . ILE B 198 ? 0.4889 0.5804 0.4877 -0.0193 0.0049 -0.0247 265 ILE B N 4412 C CA . ILE B 198 ? 0.4978 0.5879 0.4917 -0.0203 0.0048 -0.0229 265 ILE B CA 4413 C C . ILE B 198 ? 0.5596 0.6535 0.5529 -0.0232 0.0069 -0.0244 265 ILE B C 4414 O O . ILE B 198 ? 0.5488 0.6453 0.5427 -0.0255 0.0079 -0.0254 265 ILE B O 4415 C CB . ILE B 198 ? 0.5222 0.6098 0.5124 -0.0210 0.0034 -0.0205 265 ILE B CB 4416 C CG1 . ILE B 198 ? 0.5452 0.6293 0.5359 -0.0185 0.0015 -0.0193 265 ILE B CG1 4417 C CG2 . ILE B 198 ? 0.5357 0.6216 0.5211 -0.0217 0.0030 -0.0184 265 ILE B CG2 4418 C CD1 . ILE B 198 ? 0.5016 0.5821 0.4882 -0.0185 0.0000 -0.0168 265 ILE B CD1 4419 N N . SER B 199 ? 0.5654 0.6593 0.5571 -0.0232 0.0075 -0.0243 266 SER B N 4420 C CA . SER B 199 ? 0.5063 0.6034 0.4968 -0.0261 0.0094 -0.0256 266 SER B CA 4421 C C . SER B 199 ? 0.5352 0.6309 0.5204 -0.0274 0.0087 -0.0231 266 SER B C 4422 O O . SER B 199 ? 0.5630 0.6557 0.5465 -0.0255 0.0072 -0.0211 266 SER B O 4423 C CB . SER B 199 ? 0.5210 0.6199 0.5141 -0.0254 0.0109 -0.0279 266 SER B CB 4424 O OG . SER B 199 ? 0.5382 0.6386 0.5367 -0.0242 0.0116 -0.0305 266 SER B OG 4425 N N . PRO B 200 ? 0.5638 0.6619 0.5466 -0.0308 0.0096 -0.0232 267 PRO B N 4426 C CA . PRO B 200 ? 0.5755 0.6724 0.5533 -0.0323 0.0088 -0.0207 267 PRO B CA 4427 C C . PRO B 200 ? 0.5062 0.6042 0.4835 -0.0323 0.0096 -0.0213 267 PRO B C 4428 O O . PRO B 200 ? 0.5558 0.6562 0.5361 -0.0323 0.0113 -0.0241 267 PRO B O 4429 C CB . PRO B 200 ? 0.5429 0.6425 0.5186 -0.0363 0.0097 -0.0209 267 PRO B CB 4430 C CG . PRO B 200 ? 0.5784 0.6819 0.5582 -0.0373 0.0120 -0.0245 267 PRO B CG 4431 C CD . PRO B 200 ? 0.5511 0.6532 0.5355 -0.0336 0.0116 -0.0256 267 PRO B CD 4432 N N . LEU B 201 ? 0.5244 0.6205 0.4983 -0.0321 0.0083 -0.0187 268 LEU B N 4433 C CA . LEU B 201 ? 0.5183 0.6156 0.4910 -0.0327 0.0089 -0.0190 268 LEU B CA 4434 C C . LEU B 201 ? 0.5414 0.6426 0.5129 -0.0367 0.0108 -0.0208 268 LEU B C 4435 O O . LEU B 201 ? 0.5479 0.6502 0.5172 -0.0393 0.0109 -0.0202 268 LEU B O 4436 C CB . LEU B 201 ? 0.5166 0.6116 0.4858 -0.0324 0.0070 -0.0157 268 LEU B CB 4437 C CG . LEU B 201 ? 0.5849 0.6813 0.5525 -0.0333 0.0075 -0.0157 268 LEU B CG 4438 C CD1 . LEU B 201 ? 0.6088 0.7046 0.5794 -0.0306 0.0080 -0.0172 268 LEU B CD1 4439 C CD2 . LEU B 201 ? 0.6020 0.6965 0.5661 -0.0335 0.0055 -0.0122 268 LEU B CD2 4440 N N . SER B 202 ? 0.5768 0.6800 0.5494 -0.0371 0.0124 -0.0230 269 SER B N 4441 C CA . SER B 202 ? 0.5637 0.6706 0.5350 -0.0408 0.0144 -0.0250 269 SER B CA 4442 C C . SER B 202 ? 0.5603 0.6680 0.5303 -0.0413 0.0148 -0.0254 269 SER B C 4443 O O . SER B 202 ? 0.5897 0.6953 0.5610 -0.0383 0.0139 -0.0248 269 SER B O 4444 C CB . SER B 202 ? 0.6187 0.7280 0.5947 -0.0406 0.0164 -0.0287 269 SER B CB 4445 O OG . SER B 202 ? 0.6928 0.8059 0.6682 -0.0441 0.0187 -0.0312 269 SER B OG 4446 N N . GLY B 203 ? 0.4906 0.6013 0.4579 -0.0451 0.0162 -0.0264 270 GLY B N 4447 C CA . GLY B 203 ? 0.4657 0.5774 0.4312 -0.0461 0.0166 -0.0267 270 GLY B CA 4448 C C . GLY B 203 ? 0.4817 0.5927 0.4422 -0.0480 0.0147 -0.0231 270 GLY B C 4449 O O . GLY B 203 ? 0.5729 0.6836 0.5309 -0.0495 0.0137 -0.0210 270 GLY B O 4450 N N . SER B 204 ? 0.5316 0.6422 0.4907 -0.0476 0.0140 -0.0220 271 SER B N 4451 C CA . SER B 204 ? 0.5443 0.6548 0.4986 -0.0498 0.0121 -0.0185 271 SER B CA 4452 C C . SER B 204 ? 0.5645 0.6716 0.5185 -0.0466 0.0092 -0.0147 271 SER B C 4453 O O . SER B 204 ? 0.5260 0.6328 0.4768 -0.0480 0.0075 -0.0117 271 SER B O 4454 C CB . SER B 204 ? 0.5677 0.6809 0.5199 -0.0526 0.0131 -0.0197 271 SER B CB 4455 O OG . SER B 204 ? 0.5714 0.6840 0.5261 -0.0502 0.0136 -0.0211 271 SER B OG 4456 N N . ALA B 205 ? 0.5736 0.6781 0.5310 -0.0425 0.0088 -0.0148 272 ALA B N 4457 C CA . ALA B 205 ? 0.5899 0.6913 0.5473 -0.0396 0.0064 -0.0116 272 ALA B CA 4458 C C . ALA B 205 ? 0.6203 0.7200 0.5757 -0.0402 0.0048 -0.0089 272 ALA B C 4459 O O . ALA B 205 ? 0.6769 0.7766 0.6329 -0.0408 0.0054 -0.0098 272 ALA B O 4460 C CB . ALA B 205 ? 0.5743 0.6734 0.5356 -0.0354 0.0065 -0.0126 272 ALA B CB 4461 N N . GLN B 206 ? 0.7463 0.8443 0.6997 -0.0396 0.0025 -0.0054 273 GLN B N 4462 C CA . GLN B 206 ? 0.7763 0.8729 0.7276 -0.0407 0.0009 -0.0027 273 GLN B CA 4463 C C . GLN B 206 ? 0.8391 0.9317 0.7915 -0.0374 -0.0008 -0.0005 273 GLN B C 4464 O O . GLN B 206 ? 0.9430 1.0342 0.8945 -0.0380 -0.0015 0.0004 273 GLN B O 4465 C CB . GLN B 206 ? 0.7524 0.8503 0.7000 -0.0439 -0.0002 -0.0003 273 GLN B CB 4466 C CG . GLN B 206 ? 0.8091 0.9105 0.7544 -0.0484 0.0014 -0.0022 273 GLN B CG 4467 C CD . GLN B 206 ? 0.8538 0.9569 0.7952 -0.0518 0.0002 0.0000 273 GLN B CD 4468 O OE1 . GLN B 206 ? 0.8704 0.9765 0.8104 -0.0544 0.0016 -0.0017 273 GLN B OE1 4469 N NE2 . GLN B 206 ? 0.8025 0.9035 0.7421 -0.0518 -0.0023 0.0038 273 GLN B NE2 4470 N N . HIS B 207 ? 0.7243 0.8152 0.6784 -0.0340 -0.0016 0.0002 274 HIS B N 4471 C CA . HIS B 207 ? 0.7866 0.8738 0.7416 -0.0309 -0.0032 0.0021 274 HIS B CA 4472 C C . HIS B 207 ? 0.8473 0.9342 0.8054 -0.0279 -0.0022 0.0001 274 HIS B C 4473 O O . HIS B 207 ? 0.8893 0.9781 0.8478 -0.0281 -0.0015 -0.0006 274 HIS B O 4474 C CB . HIS B 207 ? 0.9141 1.0000 0.8675 -0.0307 -0.0055 0.0057 274 HIS B CB 4475 C CG . HIS B 207 ? 1.1206 1.2077 1.0708 -0.0345 -0.0065 0.0076 274 HIS B CG 4476 N ND1 . HIS B 207 ? 1.1966 1.2815 1.1453 -0.0353 -0.0079 0.0096 274 HIS B ND1 4477 C CD2 . HIS B 207 ? 1.1508 1.2409 1.0986 -0.0378 -0.0063 0.0079 274 HIS B CD2 4478 C CE1 . HIS B 207 ? 1.1726 1.2591 1.1182 -0.0390 -0.0086 0.0112 274 HIS B CE1 4479 N NE2 . HIS B 207 ? 1.1337 1.2235 1.0787 -0.0406 -0.0077 0.0101 274 HIS B NE2 4480 N N . ILE B 208 ? 0.7104 0.7951 0.6704 -0.0255 -0.0019 -0.0007 275 ILE B N 4481 C CA . ILE B 208 ? 0.6525 0.7365 0.6152 -0.0227 -0.0012 -0.0024 275 ILE B CA 4482 C C . ILE B 208 ? 0.5828 0.6631 0.5464 -0.0195 -0.0023 -0.0012 275 ILE B C 4483 O O . ILE B 208 ? 0.5349 0.6133 0.4982 -0.0193 -0.0029 -0.0007 275 ILE B O 4484 C CB . ILE B 208 ? 0.6386 0.7237 0.6032 -0.0231 0.0004 -0.0054 275 ILE B CB 4485 C CG1 . ILE B 208 ? 0.6627 0.7515 0.6268 -0.0263 0.0019 -0.0072 275 ILE B CG1 4486 C CG2 . ILE B 208 ? 0.6951 0.7789 0.6626 -0.0200 0.0008 -0.0068 275 ILE B CG2 4487 C CD1 . ILE B 208 ? 0.7284 0.8187 0.6941 -0.0257 0.0031 -0.0092 275 ILE B CD1 4488 N N . GLU B 209 ? 0.5243 0.6039 0.4890 -0.0171 -0.0026 -0.0009 276 GLU B N 4489 C CA . GLU B 209 ? 0.5348 0.6113 0.5005 -0.0140 -0.0034 -0.0001 276 GLU B CA 4490 C C . GLU B 209 ? 0.5058 0.5823 0.4734 -0.0120 -0.0026 -0.0015 276 GLU B C 4491 O O . GLU B 209 ? 0.4817 0.5605 0.4497 -0.0126 -0.0019 -0.0022 276 GLU B O 4492 C CB . GLU B 209 ? 0.6060 0.6814 0.5706 -0.0133 -0.0049 0.0026 276 GLU B CB 4493 C CG . GLU B 209 ? 0.7404 0.8144 0.7032 -0.0146 -0.0061 0.0045 276 GLU B CG 4494 C CD . GLU B 209 ? 0.9109 0.9816 0.8739 -0.0132 -0.0066 0.0045 276 GLU B CD 4495 O OE1 . GLU B 209 ? 1.1344 1.2036 1.0988 -0.0110 -0.0060 0.0031 276 GLU B OE1 4496 O OE2 . GLU B 209 ? 1.0658 1.1352 1.0272 -0.0144 -0.0076 0.0059 276 GLU B OE2 4497 N N . GLU B 210 ? 0.5057 0.5798 0.4744 -0.0096 -0.0027 -0.0019 277 GLU B N 4498 C CA . GLU B 210 ? 0.4519 0.5252 0.4220 -0.0073 -0.0025 -0.0024 277 GLU B CA 4499 C C . GLU B 210 ? 0.4743 0.5499 0.4457 -0.0080 -0.0013 -0.0042 277 GLU B C 4500 O O . GLU B 210 ? 0.4774 0.5539 0.4492 -0.0075 -0.0011 -0.0041 277 GLU B O 4501 C CB . GLU B 210 ? 0.4717 0.5443 0.4411 -0.0060 -0.0033 -0.0004 277 GLU B CB 4502 C CG . GLU B 210 ? 0.4812 0.5509 0.4499 -0.0047 -0.0044 0.0010 277 GLU B CG 4503 C CD . GLU B 210 ? 0.5817 0.6509 0.5500 -0.0037 -0.0053 0.0032 277 GLU B CD 4504 O OE1 . GLU B 210 ? 0.6458 0.7174 0.6143 -0.0044 -0.0053 0.0037 277 GLU B OE1 4505 O OE2 . GLU B 210 ? 0.6212 0.6877 0.5894 -0.0021 -0.0061 0.0042 277 GLU B OE2 4506 N N . CYS B 211 ? 0.4608 0.5374 0.4332 -0.0091 -0.0004 -0.0061 278 CYS B N 4507 C CA . CYS B 211 ? 0.4864 0.5649 0.4604 -0.0097 0.0007 -0.0082 278 CYS B CA 4508 C C . CYS B 211 ? 0.5060 0.5831 0.4816 -0.0074 0.0007 -0.0087 278 CYS B C 4509 O O . CYS B 211 ? 0.4351 0.5098 0.4113 -0.0056 0.0001 -0.0085 278 CYS B O 4510 C CB . CYS B 211 ? 0.5057 0.5853 0.4811 -0.0110 0.0015 -0.0102 278 CYS B CB 4511 S SG . CYS B 211 ? 0.5899 0.6718 0.5633 -0.0143 0.0019 -0.0100 278 CYS B SG 4512 N N . SER B 212 ? 0.4480 0.5265 0.4242 -0.0077 0.0013 -0.0093 279 SER B N 4513 C CA . SER B 212 ? 0.4261 0.5038 0.4040 -0.0063 0.0016 -0.0102 279 SER B CA 4514 C C . SER B 212 ? 0.4341 0.5132 0.4141 -0.0073 0.0027 -0.0127 279 SER B C 4515 O O . SER B 212 ? 0.4346 0.5159 0.4144 -0.0091 0.0036 -0.0137 279 SER B O 4516 C CB . SER B 212 ? 0.4648 0.5430 0.4421 -0.0059 0.0016 -0.0093 279 SER B CB 4517 O OG . SER B 212 ? 0.5081 0.5857 0.4837 -0.0053 0.0007 -0.0072 279 SER B OG 4518 N N . CYS B 213 ? 0.4688 0.5463 0.4507 -0.0061 0.0026 -0.0137 280 CYS B N 4519 C CA . CYS B 213 ? 0.4601 0.5386 0.4447 -0.0067 0.0035 -0.0161 280 CYS B CA 4520 C C . CYS B 213 ? 0.4688 0.5461 0.4558 -0.0053 0.0035 -0.0170 280 CYS B C 4521 O O . CYS B 213 ? 0.4643 0.5394 0.4509 -0.0035 0.0026 -0.0157 280 CYS B O 4522 C CB . CYS B 213 ? 0.4732 0.5513 0.4589 -0.0066 0.0033 -0.0166 280 CYS B CB 4523 S SG . CYS B 213 ? 0.5007 0.5800 0.4838 -0.0085 0.0032 -0.0155 280 CYS B SG 4524 N N . TYR B 214 ? 0.4840 0.5627 0.4734 -0.0061 0.0046 -0.0193 281 TYR B N 4525 C CA . TYR B 214 ? 0.4381 0.5156 0.4300 -0.0050 0.0045 -0.0203 281 TYR B CA 4526 C C . TYR B 214 ? 0.5126 0.5911 0.5082 -0.0054 0.0055 -0.0230 281 TYR B C 4527 O O . TYR B 214 ? 0.4407 0.5217 0.4367 -0.0072 0.0067 -0.0244 281 TYR B O 4528 C CB . TYR B 214 ? 0.4324 0.5102 0.4233 -0.0054 0.0049 -0.0201 281 TYR B CB 4529 C CG . TYR B 214 ? 0.4640 0.5446 0.4543 -0.0078 0.0063 -0.0214 281 TYR B CG 4530 C CD1 . TYR B 214 ? 0.4418 0.5233 0.4345 -0.0086 0.0076 -0.0240 281 TYR B CD1 4531 C CD2 . TYR B 214 ? 0.4889 0.5710 0.4760 -0.0092 0.0064 -0.0201 281 TYR B CD2 4532 C CE1 . TYR B 214 ? 0.5026 0.5866 0.4944 -0.0109 0.0089 -0.0254 281 TYR B CE1 4533 C CE2 . TYR B 214 ? 0.5230 0.6077 0.5091 -0.0116 0.0075 -0.0213 281 TYR B CE2 4534 C CZ . TYR B 214 ? 0.4966 0.5822 0.4850 -0.0125 0.0089 -0.0240 281 TYR B CZ 4535 O OH . TYR B 214 ? 0.4656 0.5536 0.4527 -0.0150 0.0101 -0.0252 281 TYR B OH 4536 N N . PRO B 215 ? 0.4899 0.5667 0.4885 -0.0039 0.0049 -0.0236 282 PRO B N 4537 C CA . PRO B 215 ? 0.4660 0.5437 0.4688 -0.0040 0.0057 -0.0261 282 PRO B CA 4538 C C . PRO B 215 ? 0.4889 0.5679 0.4927 -0.0052 0.0072 -0.0281 282 PRO B C 4539 O O . PRO B 215 ? 0.4632 0.5412 0.4657 -0.0051 0.0070 -0.0274 282 PRO B O 4540 C CB . PRO B 215 ? 0.4677 0.5427 0.4730 -0.0019 0.0042 -0.0256 282 PRO B CB 4541 C CG . PRO B 215 ? 0.4662 0.5390 0.4685 -0.0010 0.0031 -0.0233 282 PRO B CG 4542 C CD . PRO B 215 ? 0.4814 0.5553 0.4795 -0.0020 0.0034 -0.0218 282 PRO B CD 4543 N N . ARG B 216 ? 0.5090 0.5903 0.5151 -0.0065 0.0087 -0.0307 283 ARG B N 4544 C CA . ARG B 216 ? 0.5190 0.6017 0.5266 -0.0078 0.0104 -0.0332 283 ARG B CA 4545 C C . ARG B 216 ? 0.5223 0.6062 0.5350 -0.0076 0.0113 -0.0361 283 ARG B C 4546 O O . ARG B 216 ? 0.5101 0.5968 0.5233 -0.0093 0.0129 -0.0380 283 ARG B O 4547 C CB . ARG B 216 ? 0.5147 0.6000 0.5186 -0.0103 0.0116 -0.0333 283 ARG B CB 4548 C CG . ARG B 216 ? 0.5811 0.6678 0.5855 -0.0120 0.0132 -0.0356 283 ARG B CG 4549 C CD . ARG B 216 ? 0.6309 0.7199 0.6309 -0.0146 0.0140 -0.0350 283 ARG B CD 4550 N NE . ARG B 216 ? 0.5743 0.6644 0.5740 -0.0163 0.0154 -0.0370 283 ARG B NE 4551 C CZ . ARG B 216 ? 0.6253 0.7175 0.6269 -0.0180 0.0174 -0.0402 283 ARG B CZ 4552 N NH1 . ARG B 216 ? 0.6462 0.7397 0.6505 -0.0180 0.0182 -0.0420 283 ARG B NH1 4553 N NH2 . ARG B 216 ? 0.5712 0.6643 0.5720 -0.0198 0.0187 -0.0419 283 ARG B NH2 4554 N N . TYR B 217 ? 0.4774 0.5591 0.4938 -0.0056 0.0103 -0.0363 284 TYR B N 4555 C CA . TYR B 217 ? 0.5713 0.6536 0.5930 -0.0047 0.0105 -0.0383 284 TYR B CA 4556 C C . TYR B 217 ? 0.5521 0.6375 0.5764 -0.0064 0.0131 -0.0420 284 TYR B C 4557 O O . TYR B 217 ? 0.5349 0.6208 0.5585 -0.0076 0.0144 -0.0434 284 TYR B O 4558 C CB . TYR B 217 ? 0.5936 0.6728 0.6189 -0.0025 0.0091 -0.0381 284 TYR B CB 4559 C CG . TYR B 217 ? 0.6220 0.7017 0.6532 -0.0012 0.0089 -0.0397 284 TYR B CG 4560 C CD1 . TYR B 217 ? 0.5920 0.6711 0.6238 0.0000 0.0071 -0.0380 284 TYR B CD1 4561 C CD2 . TYR B 217 ? 0.6524 0.7333 0.6888 -0.0013 0.0104 -0.0431 284 TYR B CD2 4562 C CE1 . TYR B 217 ? 0.6431 0.7228 0.6806 0.0010 0.0067 -0.0394 284 TYR B CE1 4563 C CE2 . TYR B 217 ? 0.6275 0.7092 0.6699 -0.0001 0.0101 -0.0447 284 TYR B CE2 4564 C CZ . TYR B 217 ? 0.6574 0.7385 0.7003 0.0010 0.0082 -0.0427 284 TYR B CZ 4565 O OH . TYR B 217 ? 0.6416 0.7236 0.6904 0.0022 0.0078 -0.0440 284 TYR B OH 4566 N N . PRO B 218 ? 0.5476 0.6353 0.5746 -0.0068 0.0138 -0.0435 285 PRO B N 4567 C CA . PRO B 218 ? 0.5518 0.6395 0.5800 -0.0057 0.0125 -0.0422 285 PRO B CA 4568 C C . PRO B 218 ? 0.5622 0.6509 0.5853 -0.0070 0.0122 -0.0401 285 PRO B C 4569 O O . PRO B 218 ? 0.6077 0.6966 0.6315 -0.0065 0.0113 -0.0392 285 PRO B O 4570 C CB . PRO B 218 ? 0.5581 0.6488 0.5919 -0.0062 0.0142 -0.0457 285 PRO B CB 4571 C CG . PRO B 218 ? 0.5028 0.5961 0.5349 -0.0088 0.0168 -0.0481 285 PRO B CG 4572 C CD . PRO B 218 ? 0.5463 0.6374 0.5753 -0.0088 0.0165 -0.0472 285 PRO B CD 4573 N N . ASP B 219 ? 0.5376 0.6266 0.5558 -0.0087 0.0127 -0.0391 286 ASP B N 4574 C CA . ASP B 219 ? 0.5134 0.6033 0.5269 -0.0100 0.0124 -0.0371 286 ASP B CA 4575 C C . ASP B 219 ? 0.5043 0.5916 0.5133 -0.0092 0.0107 -0.0338 286 ASP B C 4576 O O . ASP B 219 ? 0.4643 0.5490 0.4737 -0.0074 0.0095 -0.0327 286 ASP B O 4577 C CB . ASP B 219 ? 0.6143 0.7073 0.6259 -0.0130 0.0146 -0.0389 286 ASP B CB 4578 C CG . ASP B 219 ? 0.7913 0.8872 0.8074 -0.0139 0.0165 -0.0425 286 ASP B CG 4579 O OD1 . ASP B 219 ? 1.0422 1.1386 1.0613 -0.0131 0.0161 -0.0427 286 ASP B OD1 4580 O OD2 . ASP B 219 ? 0.8270 0.9245 0.8440 -0.0153 0.0185 -0.0451 286 ASP B OD2 4581 N N . VAL B 220 ? 0.4463 0.5343 0.4513 -0.0105 0.0105 -0.0321 287 VAL B N 4582 C CA . VAL B 220 ? 0.4278 0.5138 0.4287 -0.0099 0.0091 -0.0290 287 VAL B CA 4583 C C . VAL B 220 ? 0.4585 0.5464 0.4556 -0.0123 0.0100 -0.0286 287 VAL B C 4584 O O . VAL B 220 ? 0.4098 0.5002 0.4063 -0.0144 0.0110 -0.0296 287 VAL B O 4585 C CB . VAL B 220 ? 0.4174 0.5019 0.4173 -0.0088 0.0075 -0.0270 287 VAL B CB 4586 C CG1 . VAL B 220 ? 0.4250 0.5077 0.4205 -0.0084 0.0063 -0.0241 287 VAL B CG1 4587 C CG2 . VAL B 220 ? 0.4311 0.5134 0.4342 -0.0065 0.0063 -0.0270 287 VAL B CG2 4588 N N . ARG B 221 ? 0.4103 0.4971 0.4046 -0.0120 0.0093 -0.0268 288 ARG B N 4589 C CA . ARG B 221 ? 0.4489 0.5373 0.4395 -0.0141 0.0097 -0.0259 288 ARG B CA 4590 C C . ARG B 221 ? 0.4954 0.5819 0.4827 -0.0131 0.0080 -0.0226 288 ARG B C 4591 O O . ARG B 221 ? 0.4607 0.5450 0.4485 -0.0110 0.0069 -0.0214 288 ARG B O 4592 C CB . ARG B 221 ? 0.4424 0.5316 0.4333 -0.0150 0.0107 -0.0274 288 ARG B CB 4593 C CG . ARG B 221 ? 0.5460 0.6370 0.5332 -0.0173 0.0110 -0.0264 288 ARG B CG 4594 C CD . ARG B 221 ? 0.5946 0.6872 0.5824 -0.0189 0.0125 -0.0287 288 ARG B CD 4595 N NE . ARG B 221 ? 0.6325 0.7276 0.6215 -0.0210 0.0144 -0.0316 288 ARG B NE 4596 C CZ . ARG B 221 ? 0.5793 0.6758 0.5694 -0.0226 0.0161 -0.0344 288 ARG B CZ 4597 N NH1 . ARG B 221 ? 0.6439 0.7395 0.6342 -0.0222 0.0161 -0.0347 288 ARG B NH1 4598 N NH2 . ARG B 221 ? 0.5530 0.6520 0.5440 -0.0246 0.0179 -0.0371 288 ARG B NH2 4599 N N . CYS B 222 ? 0.4836 0.5712 0.4679 -0.0148 0.0078 -0.0212 289 CYS B N 4600 C CA . CYS B 222 ? 0.4977 0.5838 0.4793 -0.0139 0.0062 -0.0182 289 CYS B CA 4601 C C . CYS B 222 ? 0.5077 0.5955 0.4864 -0.0158 0.0063 -0.0170 289 CYS B C 4602 O O . CYS B 222 ? 0.4762 0.5664 0.4540 -0.0184 0.0073 -0.0181 289 CYS B O 4603 C CB . CYS B 222 ? 0.5279 0.6132 0.5087 -0.0139 0.0055 -0.0171 289 CYS B CB 4604 S SG . CYS B 222 ? 0.5810 0.6647 0.5650 -0.0120 0.0053 -0.0182 289 CYS B SG 4605 N N . VAL B 223 ? 0.4502 0.5368 0.4275 -0.0146 0.0051 -0.0148 290 VAL B N 4606 C CA . VAL B 223 ? 0.4200 0.5080 0.3947 -0.0162 0.0047 -0.0131 290 VAL B CA 4607 C C . VAL B 223 ? 0.4380 0.5242 0.4111 -0.0149 0.0031 -0.0104 290 VAL B C 4608 O O . VAL B 223 ? 0.4863 0.5702 0.4602 -0.0124 0.0024 -0.0095 290 VAL B O 4609 C CB . VAL B 223 ? 0.4938 0.5824 0.4686 -0.0159 0.0048 -0.0131 290 VAL B CB 4610 C CG1 . VAL B 223 ? 0.5070 0.5971 0.4792 -0.0173 0.0041 -0.0110 290 VAL B CG1 4611 C CG2 . VAL B 223 ? 0.4894 0.5794 0.4656 -0.0172 0.0064 -0.0160 290 VAL B CG2 4612 N N . CYS B 224 ? 0.4569 0.5442 0.4278 -0.0167 0.0026 -0.0090 291 CYS B N 4613 C CA . CYS B 224 ? 0.4648 0.5502 0.4346 -0.0158 0.0012 -0.0067 291 CYS B CA 4614 C C . CYS B 224 ? 0.4376 0.5237 0.4054 -0.0165 0.0000 -0.0041 291 CYS B C 4615 O O . CYS B 224 ? 0.4942 0.5819 0.4616 -0.0172 0.0001 -0.0038 291 CYS B O 4616 C CB . CYS B 224 ? 0.5415 0.6270 0.5109 -0.0173 0.0015 -0.0074 291 CYS B CB 4617 S SG . CYS B 224 ? 0.5667 0.6525 0.5390 -0.0170 0.0030 -0.0107 291 CYS B SG 4618 N N . ARG B 225 ? 0.4859 0.5704 0.4527 -0.0161 -0.0011 -0.0022 292 ARG B N 4619 C CA . ARG B 225 ? 0.4779 0.5625 0.4432 -0.0164 -0.0026 0.0005 292 ARG B CA 4620 C C . ARG B 225 ? 0.4724 0.5575 0.4355 -0.0191 -0.0031 0.0014 292 ARG B C 4621 O O . ARG B 225 ? 0.4712 0.5548 0.4341 -0.0192 -0.0031 0.0010 292 ARG B O 4622 C CB . ARG B 225 ? 0.4707 0.5522 0.4368 -0.0133 -0.0037 0.0021 292 ARG B CB 4623 C CG . ARG B 225 ? 0.5105 0.5914 0.4756 -0.0132 -0.0054 0.0049 292 ARG B CG 4624 C CD . ARG B 225 ? 0.5329 0.6106 0.4991 -0.0101 -0.0061 0.0058 292 ARG B CD 4625 N NE . ARG B 225 ? 0.5173 0.5938 0.4830 -0.0098 -0.0077 0.0084 292 ARG B NE 4626 C CZ . ARG B 225 ? 0.5552 0.6291 0.5218 -0.0072 -0.0084 0.0094 292 ARG B CZ 4627 N NH1 . ARG B 225 ? 0.5608 0.6329 0.5285 -0.0049 -0.0076 0.0080 292 ARG B NH1 4628 N NH2 . ARG B 225 ? 0.5558 0.6287 0.5222 -0.0069 -0.0099 0.0118 292 ARG B NH2 4629 N N . ASP B 226 ? 0.5048 0.5922 0.4661 -0.0216 -0.0036 0.0025 293 ASP B N 4630 C CA . ASP B 226 ? 0.5788 0.6668 0.5376 -0.0244 -0.0046 0.0042 293 ASP B CA 4631 C C . ASP B 226 ? 0.5724 0.6588 0.5310 -0.0229 -0.0067 0.0075 293 ASP B C 4632 O O . ASP B 226 ? 0.6469 0.7341 0.6059 -0.0223 -0.0075 0.0089 293 ASP B O 4633 C CB . ASP B 226 ? 0.6112 0.7028 0.5681 -0.0281 -0.0040 0.0037 293 ASP B CB 4634 C CG . ASP B 226 ? 0.6394 0.7316 0.5932 -0.0314 -0.0049 0.0053 293 ASP B CG 4635 O OD1 . ASP B 226 ? 0.5173 0.6077 0.4703 -0.0309 -0.0068 0.0082 293 ASP B OD1 4636 O OD2 . ASP B 226 ? 0.6322 0.7269 0.5845 -0.0347 -0.0035 0.0035 293 ASP B OD2 4637 N N . ASN B 227 ? 0.5760 0.6598 0.5343 -0.0223 -0.0076 0.0086 294 ASN B N 4638 C CA . ASN B 227 ? 0.6867 0.7680 0.6452 -0.0206 -0.0095 0.0113 294 ASN B CA 4639 C C . ASN B 227 ? 0.6880 0.7699 0.6445 -0.0229 -0.0114 0.0143 294 ASN B C 4640 O O . ASN B 227 ? 0.6682 0.7481 0.6252 -0.0214 -0.0132 0.0168 294 ASN B O 4641 C CB . ASN B 227 ? 0.8007 0.8793 0.7590 -0.0203 -0.0093 0.0106 294 ASN B CB 4642 C CG . ASN B 227 ? 0.9138 0.9889 0.8730 -0.0175 -0.0105 0.0121 294 ASN B CG 4643 O OD1 . ASN B 227 ? 1.0989 1.1735 1.0599 -0.0149 -0.0107 0.0126 294 ASN B OD1 4644 N ND2 . ASN B 227 ? 0.9844 1.0571 0.9426 -0.0179 -0.0112 0.0129 294 ASN B ND2 4645 N N . TRP B 228 ? 0.6175 0.7020 0.5716 -0.0266 -0.0111 0.0140 295 TRP B N 4646 C CA . TRP B 228 ? 0.8133 0.8980 0.7649 -0.0293 -0.0128 0.0167 295 TRP B CA 4647 C C . TRP B 228 ? 0.7510 0.8394 0.7007 -0.0326 -0.0131 0.0174 295 TRP B C 4648 O O . TRP B 228 ? 0.6628 0.7513 0.6118 -0.0332 -0.0152 0.0203 295 TRP B O 4649 C CB . TRP B 228 ? 0.9120 0.9956 0.8618 -0.0314 -0.0125 0.0163 295 TRP B CB 4650 C CG . TRP B 228 ? 1.0662 1.1491 1.0133 -0.0339 -0.0148 0.0196 295 TRP B CG 4651 C CD1 . TRP B 228 ? 1.1369 1.2215 1.0808 -0.0382 -0.0148 0.0200 295 TRP B CD1 4652 C CD2 . TRP B 228 ? 1.2458 1.3261 1.1936 -0.0323 -0.0174 0.0231 295 TRP B CD2 4653 N NE1 . TRP B 228 ? 1.1325 1.2156 1.0748 -0.0394 -0.0174 0.0236 295 TRP B NE1 4654 C CE2 . TRP B 228 ? 1.2159 1.2962 1.1606 -0.0358 -0.0190 0.0256 295 TRP B CE2 4655 C CE3 . TRP B 228 ? 1.4072 1.4852 1.3579 -0.0283 -0.0184 0.0242 295 TRP B CE3 4656 C CZ2 . TRP B 228 ? 1.2755 1.3535 1.2203 -0.0353 -0.0219 0.0293 295 TRP B CZ2 4657 C CZ3 . TRP B 228 ? 1.3916 1.4673 1.3424 -0.0276 -0.0210 0.0277 295 TRP B CZ3 4658 C CH2 . TRP B 228 ? 1.3205 1.3961 1.2685 -0.0311 -0.0228 0.0302 295 TRP B CH2 4659 N N . LYS B 229 ? 0.7025 0.7936 0.6513 -0.0347 -0.0111 0.0147 296 LYS B N 4660 C CA . LYS B 229 ? 0.7508 0.8453 0.6970 -0.0384 -0.0112 0.0151 296 LYS B CA 4661 C C . LYS B 229 ? 0.6831 0.7803 0.6303 -0.0383 -0.0099 0.0131 296 LYS B C 4662 O O . LYS B 229 ? 0.6793 0.7790 0.6246 -0.0410 -0.0104 0.0139 296 LYS B O 4663 C CB . LYS B 229 ? 0.8984 0.9945 0.8417 -0.0425 -0.0101 0.0138 296 LYS B CB 4664 C CG . LYS B 229 ? 1.0678 1.1616 1.0096 -0.0434 -0.0116 0.0160 296 LYS B CG 4665 C CD . LYS B 229 ? 1.2935 1.3893 1.2311 -0.0485 -0.0117 0.0166 296 LYS B CD 4666 C CE . LYS B 229 ? 1.3076 1.4056 1.2446 -0.0506 -0.0087 0.0127 296 LYS B CE 4667 N NZ . LYS B 229 ? 1.2753 1.3765 1.2083 -0.0559 -0.0083 0.0127 296 LYS B NZ 4668 N N . GLY B 230 ? 0.5649 0.6613 0.5149 -0.0354 -0.0083 0.0107 297 GLY B N 4669 C CA . GLY B 230 ? 0.5802 0.6787 0.5311 -0.0354 -0.0069 0.0087 297 GLY B CA 4670 C C . GLY B 230 ? 0.5380 0.6354 0.4920 -0.0315 -0.0072 0.0089 297 GLY B C 4671 O O . GLY B 230 ? 0.5857 0.6804 0.5418 -0.0283 -0.0071 0.0086 297 GLY B O 4672 N N . SER B 231 ? 0.5250 0.6244 0.4791 -0.0319 -0.0075 0.0094 298 SER B N 4673 C CA . SER B 231 ? 0.5089 0.6079 0.4658 -0.0289 -0.0072 0.0089 298 SER B CA 4674 C C . SER B 231 ? 0.5071 0.6071 0.4647 -0.0292 -0.0049 0.0053 298 SER B C 4675 O O . SER B 231 ? 0.4690 0.5685 0.4287 -0.0269 -0.0043 0.0045 298 SER B O 4676 C CB . SER B 231 ? 0.5661 0.6670 0.5232 -0.0290 -0.0089 0.0114 298 SER B CB 4677 O OG . SER B 231 ? 0.4912 0.5951 0.4457 -0.0329 -0.0091 0.0115 298 SER B OG 4678 N N . ASN B 232 ? 0.4813 0.5827 0.4370 -0.0322 -0.0035 0.0033 299 ASN B N 4679 C CA . ASN B 232 ? 0.4756 0.5774 0.4325 -0.0322 -0.0012 -0.0001 299 ASN B CA 4680 C C . ASN B 232 ? 0.5013 0.6006 0.4599 -0.0301 -0.0004 -0.0015 299 ASN B C 4681 O O . ASN B 232 ? 0.5566 0.6547 0.5144 -0.0302 -0.0012 -0.0003 299 ASN B O 4682 C CB . ASN B 232 ? 0.5032 0.6078 0.4578 -0.0363 0.0000 -0.0021 299 ASN B CB 4683 C CG . ASN B 232 ? 0.4950 0.6004 0.4468 -0.0393 -0.0001 -0.0015 299 ASN B CG 4684 O OD1 . ASN B 232 ? 0.5047 0.6090 0.4557 -0.0390 -0.0019 0.0011 299 ASN B OD1 4685 N ND2 . ASN B 232 ? 0.4682 0.5756 0.4187 -0.0423 0.0016 -0.0041 299 ASN B ND2 4686 N N . ARG B 233 ? 0.5125 0.6108 0.4735 -0.0280 0.0008 -0.0038 300 ARG B N 4687 C CA . ARG B 233 ? 0.5196 0.6154 0.4826 -0.0256 0.0013 -0.0048 300 ARG B CA 4688 C C . ARG B 233 ? 0.4831 0.5798 0.4462 -0.0274 0.0029 -0.0075 300 ARG B C 4689 O O . ARG B 233 ? 0.5119 0.6104 0.4751 -0.0291 0.0045 -0.0100 300 ARG B O 4690 C CB . ARG B 233 ? 0.4506 0.5447 0.4162 -0.0225 0.0016 -0.0056 300 ARG B CB 4691 C CG . ARG B 233 ? 0.4736 0.5667 0.4396 -0.0202 0.0001 -0.0031 300 ARG B CG 4692 C CD . ARG B 233 ? 0.5094 0.6003 0.4777 -0.0171 0.0005 -0.0038 300 ARG B CD 4693 N NE . ARG B 233 ? 0.4752 0.5651 0.4440 -0.0149 -0.0007 -0.0016 300 ARG B NE 4694 C CZ . ARG B 233 ? 0.4938 0.5819 0.4625 -0.0133 -0.0018 0.0001 300 ARG B CZ 4695 N NH1 . ARG B 233 ? 0.4598 0.5466 0.4279 -0.0137 -0.0019 0.0000 300 ARG B NH1 4696 N NH2 . ARG B 233 ? 0.4715 0.5589 0.4408 -0.0114 -0.0027 0.0019 300 ARG B NH2 4697 N N . PRO B 234 ? 0.4915 0.5867 0.4546 -0.0270 0.0027 -0.0073 301 PRO B N 4698 C CA . PRO B 234 ? 0.4816 0.5776 0.4455 -0.0282 0.0043 -0.0100 301 PRO B CA 4699 C C . PRO B 234 ? 0.4860 0.5812 0.4533 -0.0261 0.0056 -0.0126 301 PRO B C 4700 O O . PRO B 234 ? 0.5262 0.6193 0.4951 -0.0232 0.0049 -0.0120 301 PRO B O 4701 C CB . PRO B 234 ? 0.5210 0.6152 0.4846 -0.0276 0.0034 -0.0086 301 PRO B CB 4702 C CG . PRO B 234 ? 0.5376 0.6303 0.4995 -0.0268 0.0013 -0.0051 301 PRO B CG 4703 C CD . PRO B 234 ? 0.5016 0.5945 0.4642 -0.0253 0.0009 -0.0045 301 PRO B CD 4704 N N . VAL B 235 ? 0.4905 0.5873 0.4589 -0.0276 0.0074 -0.0155 302 VAL B N 4705 C CA . VAL B 235 ? 0.4795 0.5757 0.4513 -0.0259 0.0085 -0.0181 302 VAL B CA 4706 C C . VAL B 235 ? 0.4812 0.5778 0.4545 -0.0264 0.0095 -0.0199 302 VAL B C 4707 O O . VAL B 235 ? 0.5402 0.6392 0.5122 -0.0294 0.0105 -0.0209 302 VAL B O 4708 C CB . VAL B 235 ? 0.4854 0.5834 0.4578 -0.0273 0.0101 -0.0205 302 VAL B CB 4709 C CG1 . VAL B 235 ? 0.5131 0.6101 0.4896 -0.0252 0.0110 -0.0230 302 VAL B CG1 4710 C CG2 . VAL B 235 ? 0.5716 0.6695 0.5425 -0.0270 0.0091 -0.0186 302 VAL B CG2 4711 N N . ILE B 236 ? 0.5159 0.6106 0.4921 -0.0238 0.0092 -0.0203 303 ILE B N 4712 C CA . ILE B 236 ? 0.4316 0.5269 0.4100 -0.0241 0.0101 -0.0222 303 ILE B CA 4713 C C . ILE B 236 ? 0.4998 0.5950 0.4824 -0.0225 0.0112 -0.0250 303 ILE B C 4714 O O . ILE B 236 ? 0.5239 0.6169 0.5081 -0.0199 0.0104 -0.0245 303 ILE B O 4715 C CB . ILE B 236 ? 0.3641 0.4570 0.3422 -0.0224 0.0085 -0.0202 303 ILE B CB 4716 C CG1 . ILE B 236 ? 0.4196 0.5125 0.3937 -0.0240 0.0074 -0.0174 303 ILE B CG1 4717 C CG2 . ILE B 236 ? 0.4345 0.5283 0.4147 -0.0230 0.0093 -0.0219 303 ILE B CG2 4718 C CD1 . ILE B 236 ? 0.4551 0.5450 0.4287 -0.0220 0.0057 -0.0151 303 ILE B CD1 4719 N N . ASP B 237 ? 0.5143 0.6119 0.4989 -0.0242 0.0130 -0.0279 304 ASP B N 4720 C CA . ASP B 237 ? 0.5093 0.6069 0.4987 -0.0227 0.0140 -0.0308 304 ASP B CA 4721 C C . ASP B 237 ? 0.5368 0.6345 0.5288 -0.0220 0.0140 -0.0315 304 ASP B C 4722 O O . ASP B 237 ? 0.5591 0.6587 0.5500 -0.0241 0.0146 -0.0318 304 ASP B O 4723 C CB . ASP B 237 ? 0.5655 0.6658 0.5561 -0.0248 0.0163 -0.0340 304 ASP B CB 4724 C CG . ASP B 237 ? 0.6789 0.7785 0.6682 -0.0247 0.0163 -0.0339 304 ASP B CG 4725 O OD1 . ASP B 237 ? 0.8643 0.9614 0.8540 -0.0223 0.0149 -0.0322 304 ASP B OD1 4726 O OD2 . ASP B 237 ? 0.7458 0.8477 0.7337 -0.0273 0.0178 -0.0354 304 ASP B OD2 4727 N N . ILE B 238 ? 0.5398 0.6354 0.5353 -0.0192 0.0132 -0.0317 305 ILE B N 4728 C CA . ILE B 238 ? 0.5885 0.6837 0.5866 -0.0180 0.0127 -0.0319 305 ILE B CA 4729 C C . ILE B 238 ? 0.5849 0.6809 0.5886 -0.0168 0.0136 -0.0348 305 ILE B C 4730 O O . ILE B 238 ? 0.5732 0.6672 0.5788 -0.0147 0.0130 -0.0348 305 ILE B O 4731 C CB . ILE B 238 ? 0.5566 0.6484 0.5536 -0.0156 0.0104 -0.0290 305 ILE B CB 4732 C CG1 . ILE B 238 ? 0.5225 0.6134 0.5144 -0.0165 0.0094 -0.0261 305 ILE B CG1 4733 C CG2 . ILE B 238 ? 0.5345 0.6259 0.5341 -0.0146 0.0097 -0.0291 305 ILE B CG2 4734 C CD1 . ILE B 238 ? 0.4891 0.5766 0.4799 -0.0141 0.0074 -0.0235 305 ILE B CD1 4735 N N . ASN B 239 ? 0.5401 0.6388 0.5464 -0.0182 0.0150 -0.0371 306 ASN B N 4736 C CA . ASN B 239 ? 0.5517 0.6514 0.5640 -0.0170 0.0159 -0.0400 306 ASN B CA 4737 C C . ASN B 239 ? 0.5188 0.6168 0.5339 -0.0147 0.0142 -0.0389 306 ASN B C 4738 O O . ASN B 239 ? 0.5624 0.6614 0.5772 -0.0154 0.0139 -0.0384 306 ASN B O 4739 C CB . ASN B 239 ? 0.6053 0.7089 0.6196 -0.0194 0.0184 -0.0432 306 ASN B CB 4740 C CG . ASN B 239 ? 0.6502 0.7549 0.6712 -0.0180 0.0195 -0.0464 306 ASN B CG 4741 O OD1 . ASN B 239 ? 0.5860 0.6898 0.6111 -0.0159 0.0183 -0.0463 306 ASN B OD1 4742 N ND2 . ASN B 239 ? 0.5709 0.6777 0.5932 -0.0195 0.0217 -0.0494 306 ASN B ND2 4743 N N . MET B 240 ? 0.4769 0.5725 0.4947 -0.0121 0.0130 -0.0386 307 MET B N 4744 C CA . MET B 240 ? 0.5861 0.6798 0.6060 -0.0099 0.0110 -0.0372 307 MET B CA 4745 C C . MET B 240 ? 0.6223 0.7178 0.6479 -0.0094 0.0113 -0.0393 307 MET B C 4746 O O . MET B 240 ? 0.7055 0.8000 0.7324 -0.0082 0.0096 -0.0380 307 MET B O 4747 C CB . MET B 240 ? 0.5768 0.6670 0.5971 -0.0075 0.0094 -0.0359 307 MET B CB 4748 C CG . MET B 240 ? 0.5792 0.6673 0.5940 -0.0076 0.0086 -0.0333 307 MET B CG 4749 S SD . MET B 240 ? 0.6119 0.6983 0.6219 -0.0077 0.0069 -0.0301 307 MET B SD 4750 C CE . MET B 240 ? 0.5652 0.6484 0.5774 -0.0048 0.0045 -0.0286 307 MET B CE 4751 N N . ALA B 241 ? 0.6711 0.7695 0.7004 -0.0104 0.0134 -0.0425 308 ALA B N 4752 C CA . ALA B 241 ? 0.6474 0.7482 0.6830 -0.0099 0.0140 -0.0449 308 ALA B CA 4753 C C . ALA B 241 ? 0.6482 0.7524 0.6829 -0.0124 0.0152 -0.0456 308 ALA B C 4754 O O . ALA B 241 ? 0.6811 0.7862 0.7190 -0.0118 0.0146 -0.0457 308 ALA B O 4755 C CB . ALA B 241 ? 0.5299 0.6322 0.5701 -0.0098 0.0160 -0.0483 308 ALA B CB 4756 N N . ASP B 242 ? 0.5965 0.7023 0.6267 -0.0151 0.0169 -0.0459 309 ASP B N 4757 C CA . ASP B 242 ? 0.6499 0.7594 0.6789 -0.0181 0.0186 -0.0470 309 ASP B CA 4758 C C . ASP B 242 ? 0.5833 0.6915 0.6061 -0.0196 0.0174 -0.0439 309 ASP B C 4759 O O . ASP B 242 ? 0.5685 0.6793 0.5897 -0.0222 0.0185 -0.0443 309 ASP B O 4760 C CB . ASP B 242 ? 0.6762 0.7883 0.7034 -0.0209 0.0213 -0.0493 309 ASP B CB 4761 C CG . ASP B 242 ? 0.7928 0.9063 0.8252 -0.0201 0.0231 -0.0529 309 ASP B CG 4762 O OD1 . ASP B 242 ? 0.9357 1.0485 0.9741 -0.0175 0.0225 -0.0540 309 ASP B OD1 4763 O OD2 . ASP B 242 ? 0.6621 0.7773 0.6927 -0.0223 0.0252 -0.0548 309 ASP B OD2 4764 N N . TYR B 243 ? 0.5785 0.6831 0.5974 -0.0182 0.0155 -0.0409 310 TYR B N 4765 C CA . TYR B 243 ? 0.5466 0.6495 0.5595 -0.0193 0.0143 -0.0378 310 TYR B CA 4766 C C . TYR B 243 ? 0.5521 0.6567 0.5603 -0.0224 0.0156 -0.0377 310 TYR B C 4767 O O . TYR B 243 ? 0.5715 0.6752 0.5753 -0.0237 0.0147 -0.0353 310 TYR B O 4768 C CB . TYR B 243 ? 0.5708 0.6739 0.5842 -0.0195 0.0133 -0.0368 310 TYR B CB 4769 C CG . TYR B 243 ? 0.5853 0.6867 0.6030 -0.0167 0.0117 -0.0367 310 TYR B CG 4770 C CD1 . TYR B 243 ? 0.5959 0.6939 0.6136 -0.0140 0.0101 -0.0353 310 TYR B CD1 4771 C CD2 . TYR B 243 ? 0.6707 0.7741 0.6923 -0.0168 0.0117 -0.0378 310 TYR B CD2 4772 C CE1 . TYR B 243 ? 0.6419 0.7382 0.6630 -0.0116 0.0084 -0.0349 310 TYR B CE1 4773 C CE2 . TYR B 243 ? 0.7147 0.8164 0.7399 -0.0143 0.0099 -0.0373 310 TYR B CE2 4774 C CZ . TYR B 243 ? 0.6516 0.7498 0.6765 -0.0118 0.0082 -0.0358 310 TYR B CZ 4775 O OH . TYR B 243 ? 0.7073 0.8039 0.7354 -0.0096 0.0064 -0.0352 310 TYR B OH 4776 N N . SER B 244 ? 0.5050 0.6119 0.5140 -0.0238 0.0177 -0.0401 311 SER B N 4777 C CA . SER B 244 ? 0.5278 0.6365 0.5321 -0.0271 0.0190 -0.0401 311 SER B CA 4778 C C . SER B 244 ? 0.4995 0.6056 0.4996 -0.0266 0.0178 -0.0378 311 SER B C 4779 O O . SER B 244 ? 0.5079 0.6117 0.5095 -0.0240 0.0169 -0.0373 311 SER B O 4780 C CB . SER B 244 ? 0.4802 0.5928 0.4868 -0.0293 0.0219 -0.0440 311 SER B CB 4781 O OG . SER B 244 ? 0.5275 0.6395 0.5375 -0.0275 0.0225 -0.0459 311 SER B OG 4782 N N . ILE B 245 ? 0.4870 0.5938 0.4821 -0.0292 0.0178 -0.0362 312 ILE B N 4783 C CA . ILE B 245 ? 0.5012 0.6057 0.4919 -0.0290 0.0164 -0.0334 312 ILE B CA 4784 C C . ILE B 245 ? 0.4662 0.5731 0.4537 -0.0322 0.0178 -0.0342 312 ILE B C 4785 O O . ILE B 245 ? 0.4670 0.5768 0.4534 -0.0352 0.0192 -0.0354 312 ILE B O 4786 C CB . ILE B 245 ? 0.4943 0.5969 0.4814 -0.0291 0.0144 -0.0299 312 ILE B CB 4787 C CG1 . ILE B 245 ? 0.4862 0.5868 0.4760 -0.0266 0.0131 -0.0293 312 ILE B CG1 4788 C CG2 . ILE B 245 ? 0.5212 0.6213 0.5045 -0.0284 0.0127 -0.0269 312 ILE B CG2 4789 C CD1 . ILE B 245 ? 0.5337 0.6313 0.5257 -0.0230 0.0119 -0.0288 312 ILE B CD1 4790 N N . ASP B 246 ? 0.5430 0.6488 0.5288 -0.0316 0.0173 -0.0332 313 ASP B N 4791 C CA . ASP B 246 ? 0.5607 0.6682 0.5423 -0.0347 0.0179 -0.0329 313 ASP B CA 4792 C C . ASP B 246 ? 0.5489 0.6539 0.5273 -0.0335 0.0158 -0.0295 313 ASP B C 4793 O O . ASP B 246 ? 0.5689 0.6710 0.5487 -0.0303 0.0144 -0.0281 313 ASP B O 4794 C CB . ASP B 246 ? 0.5799 0.6897 0.5632 -0.0360 0.0203 -0.0364 313 ASP B CB 4795 C CG . ASP B 246 ? 0.6664 0.7794 0.6458 -0.0404 0.0217 -0.0372 313 ASP B CG 4796 O OD1 . ASP B 246 ? 0.6871 0.8003 0.6621 -0.0425 0.0207 -0.0347 313 ASP B OD1 4797 O OD2 . ASP B 246 ? 0.8306 0.9458 0.8111 -0.0419 0.0239 -0.0405 313 ASP B OD2 4798 N N . SER B 247 ? 0.4830 0.5891 0.4572 -0.0362 0.0156 -0.0281 314 SER B N 4799 C CA . SER B 247 ? 0.4471 0.5514 0.4186 -0.0353 0.0137 -0.0249 314 SER B CA 4800 C C . SER B 247 ? 0.5140 0.6204 0.4816 -0.0386 0.0140 -0.0244 314 SER B C 4801 O O . SER B 247 ? 0.4956 0.6046 0.4616 -0.0420 0.0153 -0.0258 314 SER B O 4802 C CB . SER B 247 ? 0.5084 0.6104 0.4782 -0.0343 0.0116 -0.0216 314 SER B CB 4803 O OG . SER B 247 ? 0.4966 0.6002 0.4633 -0.0376 0.0116 -0.0207 314 SER B OG 4804 N N . SER B 248 ? 0.4943 0.5995 0.4606 -0.0376 0.0126 -0.0223 315 SER B N 4805 C CA . SER B 248 ? 0.5140 0.6209 0.4769 -0.0403 0.0125 -0.0216 315 SER B CA 4806 C C . SER B 248 ? 0.4986 0.6034 0.4608 -0.0380 0.0103 -0.0184 315 SER B C 4807 O O . SER B 248 ? 0.4524 0.5547 0.4155 -0.0353 0.0088 -0.0164 315 SER B O 4808 C CB . SER B 248 ? 0.5229 0.6319 0.4869 -0.0417 0.0147 -0.0252 315 SER B CB 4809 O OG . SER B 248 ? 0.5964 0.7036 0.5639 -0.0385 0.0148 -0.0262 315 SER B OG 4810 N N . TYR B 249 ? 0.4855 0.5914 0.4460 -0.0392 0.0101 -0.0179 316 TYR B N 4811 C CA . TYR B 249 ? 0.4558 0.5603 0.4159 -0.0373 0.0082 -0.0151 316 TYR B CA 4812 C C . TYR B 249 ? 0.4921 0.5971 0.4536 -0.0368 0.0091 -0.0169 316 TYR B C 4813 O O . TYR B 249 ? 0.4885 0.5956 0.4497 -0.0392 0.0109 -0.0196 316 TYR B O 4814 C CB . TYR B 249 ? 0.4625 0.5681 0.4188 -0.0396 0.0065 -0.0120 316 TYR B CB 4815 C CG . TYR B 249 ? 0.4920 0.5962 0.4472 -0.0394 0.0050 -0.0095 316 TYR B CG 4816 C CD1 . TYR B 249 ? 0.5113 0.6165 0.4651 -0.0419 0.0057 -0.0102 316 TYR B CD1 4817 C CD2 . TYR B 249 ? 0.4873 0.5891 0.4429 -0.0367 0.0029 -0.0064 316 TYR B CD2 4818 C CE1 . TYR B 249 ? 0.5049 0.6086 0.4575 -0.0418 0.0042 -0.0077 316 TYR B CE1 4819 C CE2 . TYR B 249 ? 0.4841 0.5844 0.4388 -0.0364 0.0015 -0.0041 316 TYR B CE2 4820 C CZ . TYR B 249 ? 0.5269 0.6279 0.4799 -0.0390 0.0021 -0.0047 316 TYR B CZ 4821 O OH . TYR B 249 ? 0.5988 0.6979 0.5510 -0.0387 0.0006 -0.0024 316 TYR B OH 4822 N N . VAL B 250 ? 0.4923 0.5953 0.4553 -0.0338 0.0080 -0.0155 317 VAL B N 4823 C CA . VAL B 250 ? 0.4809 0.5841 0.4450 -0.0332 0.0084 -0.0164 317 VAL B CA 4824 C C . VAL B 250 ? 0.5481 0.6541 0.5092 -0.0367 0.0085 -0.0163 317 VAL B C 4825 O O . VAL B 250 ? 0.5155 0.6225 0.4740 -0.0381 0.0070 -0.0136 317 VAL B O 4826 C CB . VAL B 250 ? 0.5069 0.6079 0.4723 -0.0298 0.0068 -0.0141 317 VAL B CB 4827 C CG1 . VAL B 250 ? 0.5176 0.6189 0.4837 -0.0295 0.0072 -0.0149 317 VAL B CG1 4828 C CG2 . VAL B 250 ? 0.4858 0.5840 0.4538 -0.0265 0.0068 -0.0144 317 VAL B CG2 4829 N N . CYS B 251 ? 0.5203 0.6275 0.4819 -0.0381 0.0103 -0.0193 318 CYS B N 4830 C CA . CYS B 251 ? 0.5557 0.6656 0.5145 -0.0419 0.0108 -0.0200 318 CYS B CA 4831 C C . CYS B 251 ? 0.5970 0.7075 0.5543 -0.0420 0.0091 -0.0173 318 CYS B C 4832 O O . CYS B 251 ? 0.5437 0.6563 0.4978 -0.0450 0.0084 -0.0159 318 CYS B O 4833 C CB . CYS B 251 ? 0.6122 0.7228 0.5723 -0.0430 0.0133 -0.0241 318 CYS B CB 4834 S SG . CYS B 251 ? 0.7526 0.8644 0.7134 -0.0449 0.0157 -0.0277 318 CYS B SG 4835 N N . SER B 252 ? 0.5568 0.6654 0.5165 -0.0388 0.0084 -0.0164 319 SER B N 4836 C CA . SER B 252 ? 0.4941 0.6032 0.4532 -0.0385 0.0069 -0.0141 319 SER B CA 4837 C C . SER B 252 ? 0.5071 0.6178 0.4635 -0.0400 0.0049 -0.0107 319 SER B C 4838 O O . SER B 252 ? 0.4864 0.5961 0.4427 -0.0387 0.0037 -0.0085 319 SER B O 4839 C CB . SER B 252 ? 0.5208 0.6274 0.4828 -0.0343 0.0062 -0.0130 319 SER B CB 4840 O OG . SER B 252 ? 0.4603 0.5677 0.4220 -0.0340 0.0047 -0.0106 319 SER B OG 4841 N N . GLY B 253 ? 0.5126 0.6256 0.4670 -0.0425 0.0044 -0.0100 320 GLY B N 4842 C CA . GLY B 253 ? 0.5136 0.6283 0.4660 -0.0438 0.0021 -0.0064 320 GLY B CA 4843 C C . GLY B 253 ? 0.5162 0.6297 0.4707 -0.0404 0.0003 -0.0035 320 GLY B C 4844 O O . GLY B 253 ? 0.5341 0.6484 0.4879 -0.0405 -0.0017 -0.0002 320 GLY B O 4845 N N . LEU B 254 ? 0.5007 0.6125 0.4581 -0.0374 0.0010 -0.0046 321 LEU B N 4846 C CA . LEU B 254 ? 0.4815 0.5919 0.4412 -0.0339 -0.0002 -0.0022 321 LEU B CA 4847 C C . LEU B 254 ? 0.5191 0.6266 0.4800 -0.0313 -0.0001 -0.0023 321 LEU B C 4848 O O . LEU B 254 ? 0.4447 0.5504 0.4071 -0.0299 0.0013 -0.0047 321 LEU B O 4849 C CB . LEU B 254 ? 0.4531 0.5631 0.4149 -0.0323 0.0003 -0.0033 321 LEU B CB 4850 C CG . LEU B 254 ? 0.5101 0.6226 0.4707 -0.0348 0.0003 -0.0035 321 LEU B CG 4851 C CD1 . LEU B 254 ? 0.4673 0.5790 0.4300 -0.0333 0.0011 -0.0047 321 LEU B CD1 4852 C CD2 . LEU B 254 ? 0.4972 0.6122 0.4570 -0.0358 -0.0018 -0.0001 321 LEU B CD2 4853 N N . VAL B 255 ? 0.4975 0.6047 0.4579 -0.0307 -0.0017 0.0003 322 VAL B N 4854 C CA . VAL B 255 ? 0.5057 0.6105 0.4668 -0.0289 -0.0016 0.0002 322 VAL B CA 4855 C C . VAL B 255 ? 0.4894 0.5916 0.4529 -0.0249 -0.0021 0.0013 322 VAL B C 4856 O O . VAL B 255 ? 0.4526 0.5554 0.4173 -0.0236 -0.0029 0.0027 322 VAL B O 4857 C CB . VAL B 255 ? 0.4958 0.6011 0.4546 -0.0308 -0.0029 0.0022 322 VAL B CB 4858 C CG1 . VAL B 255 ? 0.5131 0.6210 0.4690 -0.0351 -0.0022 0.0010 322 VAL B CG1 4859 C CG2 . VAL B 255 ? 0.5005 0.6062 0.4596 -0.0299 -0.0052 0.0058 322 VAL B CG2 4860 N N . GLY B 256 ? 0.4995 0.5992 0.4639 -0.0232 -0.0016 0.0005 323 GLY B N 4861 C CA . GLY B 256 ? 0.4848 0.5821 0.4515 -0.0196 -0.0016 0.0005 323 GLY B CA 4862 C C . GLY B 256 ? 0.5549 0.6503 0.5219 -0.0176 -0.0029 0.0028 323 GLY B C 4863 O O . GLY B 256 ? 0.4828 0.5763 0.4515 -0.0147 -0.0030 0.0030 323 GLY B O 4864 N N . ASP B 257 ? 0.5532 0.6490 0.5186 -0.0191 -0.0040 0.0044 324 ASP B N 4865 C CA . ASP B 257 ? 0.5398 0.6336 0.5056 -0.0172 -0.0054 0.0065 324 ASP B CA 4866 C C . ASP B 257 ? 0.5239 0.6186 0.4906 -0.0163 -0.0070 0.0092 324 ASP B C 4867 O O . ASP B 257 ? 0.5386 0.6358 0.5054 -0.0173 -0.0073 0.0098 324 ASP B O 4868 C CB . ASP B 257 ? 0.5571 0.6504 0.5209 -0.0191 -0.0059 0.0071 324 ASP B CB 4869 C CG . ASP B 257 ? 0.5570 0.6469 0.5215 -0.0169 -0.0062 0.0073 324 ASP B CG 4870 O OD1 . ASP B 257 ? 0.5823 0.6703 0.5486 -0.0139 -0.0063 0.0076 324 ASP B OD1 4871 O OD2 . ASP B 257 ? 0.5554 0.6447 0.5184 -0.0185 -0.0062 0.0071 324 ASP B OD2 4872 N N . THR B 258 ? 0.4938 0.5863 0.4614 -0.0141 -0.0081 0.0109 325 THR B N 4873 C CA . THR B 258 ? 0.5393 0.6321 0.5083 -0.0127 -0.0097 0.0135 325 THR B CA 4874 C C . THR B 258 ? 0.5242 0.6150 0.4925 -0.0126 -0.0112 0.0155 325 THR B C 4875 O O . THR B 258 ? 0.5474 0.6352 0.5157 -0.0112 -0.0108 0.0147 325 THR B O 4876 C CB . THR B 258 ? 0.5644 0.6559 0.5359 -0.0092 -0.0092 0.0131 325 THR B CB 4877 O OG1 . THR B 258 ? 0.5369 0.6298 0.5087 -0.0094 -0.0077 0.0112 325 THR B OG1 4878 C CG2 . THR B 258 ? 0.5614 0.6538 0.5348 -0.0078 -0.0107 0.0156 325 THR B CG2 4879 N N . PRO B 259 ? 0.5023 0.5944 0.4699 -0.0141 -0.0131 0.0180 326 PRO B N 4880 C CA . PRO B 259 ? 0.5656 0.6612 0.5331 -0.0159 -0.0140 0.0194 326 PRO B CA 4881 C C . PRO B 259 ? 0.5642 0.6623 0.5290 -0.0197 -0.0132 0.0180 326 PRO B C 4882 O O . PRO B 259 ? 0.5081 0.6052 0.4713 -0.0208 -0.0119 0.0160 326 PRO B O 4883 C CB . PRO B 259 ? 0.5414 0.6368 0.5092 -0.0162 -0.0166 0.0228 326 PRO B CB 4884 C CG . PRO B 259 ? 0.5381 0.6303 0.5046 -0.0162 -0.0168 0.0229 326 PRO B CG 4885 C CD . PRO B 259 ? 0.5565 0.6463 0.5237 -0.0139 -0.0147 0.0201 326 PRO B CD 4886 N N . ARG B 260 ? 0.5442 0.6454 0.5087 -0.0215 -0.0139 0.0189 327 ARG B N 4887 C CA . ARG B 260 ? 0.5413 0.6450 0.5031 -0.0252 -0.0130 0.0175 327 ARG B CA 4888 C C . ARG B 260 ? 0.6007 0.7077 0.5623 -0.0271 -0.0147 0.0197 327 ARG B C 4889 O O . ARG B 260 ? 0.5604 0.6680 0.5246 -0.0250 -0.0161 0.0217 327 ARG B O 4890 C CB . ARG B 260 ? 0.5053 0.6091 0.4676 -0.0247 -0.0106 0.0141 327 ARG B CB 4891 C CG . ARG B 260 ? 0.4705 0.5750 0.4355 -0.0224 -0.0103 0.0139 327 ARG B CG 4892 C CD . ARG B 260 ? 0.4548 0.5595 0.4200 -0.0226 -0.0081 0.0107 327 ARG B CD 4893 N NE . ARG B 260 ? 0.4702 0.5755 0.4377 -0.0205 -0.0079 0.0108 327 ARG B NE 4894 C CZ . ARG B 260 ? 0.4719 0.5753 0.4417 -0.0172 -0.0075 0.0107 327 ARG B CZ 4895 N NH1 . ARG B 260 ? 0.5104 0.6149 0.4820 -0.0160 -0.0073 0.0108 327 ARG B NH1 4896 N NH2 . ARG B 260 ? 0.5050 0.6053 0.4752 -0.0151 -0.0073 0.0105 327 ARG B NH2 4897 N N . ASN B 261 ? 0.6306 0.7401 0.5893 -0.0310 -0.0145 0.0191 328 ASN B N 4898 C CA . ASN B 261 ? 0.6061 0.7189 0.5642 -0.0331 -0.0159 0.0209 328 ASN B CA 4899 C C . ASN B 261 ? 0.6399 0.7540 0.5999 -0.0319 -0.0146 0.0191 328 ASN B C 4900 O O . ASN B 261 ? 0.6935 0.8061 0.6544 -0.0303 -0.0124 0.0163 328 ASN B O 4901 C CB . ASN B 261 ? 0.5864 0.7013 0.5404 -0.0379 -0.0159 0.0204 328 ASN B CB 4902 C CG . ASN B 261 ? 0.6582 0.7725 0.6099 -0.0399 -0.0176 0.0227 328 ASN B CG 4903 O OD1 . ASN B 261 ? 0.6893 0.8018 0.6424 -0.0379 -0.0194 0.0253 328 ASN B OD1 4904 N ND2 . ASN B 261 ? 0.6403 0.7561 0.5881 -0.0441 -0.0170 0.0217 328 ASN B ND2 4905 N N . ASP B 262 ? 0.6009 0.7178 0.5616 -0.0328 -0.0160 0.0209 329 ASP B N 4906 C CA . ASP B 262 ? 0.5997 0.7185 0.5617 -0.0325 -0.0149 0.0194 329 ASP B CA 4907 C C . ASP B 262 ? 0.5622 0.6818 0.5213 -0.0357 -0.0129 0.0163 329 ASP B C 4908 O O . ASP B 262 ? 0.5642 0.6839 0.5201 -0.0386 -0.0127 0.0157 329 ASP B O 4909 C CB . ASP B 262 ? 0.7191 0.8412 0.6823 -0.0333 -0.0170 0.0221 329 ASP B CB 4910 C CG . ASP B 262 ? 0.8264 0.9512 0.7860 -0.0380 -0.0182 0.0231 329 ASP B CG 4911 O OD1 . ASP B 262 ? 0.9353 1.0622 0.8931 -0.0407 -0.0172 0.0214 329 ASP B OD1 4912 O OD2 . ASP B 262 ? 0.9513 1.0760 0.9095 -0.0391 -0.0202 0.0256 329 ASP B OD2 4913 N N . ASP B 263 ? 0.5180 0.6382 0.4783 -0.0352 -0.0114 0.0142 330 ASP B N 4914 C CA . ASP B 263 ? 0.5820 0.7023 0.5405 -0.0372 -0.0092 0.0108 330 ASP B CA 4915 C C . ASP B 263 ? 0.6544 0.7774 0.6093 -0.0419 -0.0094 0.0105 330 ASP B C 4916 O O . ASP B 263 ? 0.5612 0.6840 0.5141 -0.0441 -0.0076 0.0076 330 ASP B O 4917 C CB . ASP B 263 ? 0.6745 0.7949 0.6351 -0.0356 -0.0080 0.0093 330 ASP B CB 4918 C CG . ASP B 263 ? 0.7377 0.8549 0.7012 -0.0315 -0.0069 0.0083 330 ASP B CG 4919 O OD1 . ASP B 263 ? 0.7114 0.8263 0.6749 -0.0301 -0.0067 0.0081 330 ASP B OD1 4920 O OD2 . ASP B 263 ? 0.7487 0.8658 0.7141 -0.0298 -0.0063 0.0077 330 ASP B OD2 4921 N N . SER B 264 ? 0.6840 0.8097 0.6381 -0.0437 -0.0117 0.0134 331 SER B N 4922 C CA . SER B 264 ? 0.7712 0.8995 0.7214 -0.0486 -0.0119 0.0131 331 SER B CA 4923 C C . SER B 264 ? 0.7867 0.9146 0.7339 -0.0509 -0.0125 0.0139 331 SER B C 4924 O O . SER B 264 ? 0.8727 1.0021 0.8163 -0.0549 -0.0118 0.0125 331 SER B O 4925 C CB . SER B 264 ? 0.7124 0.8441 0.6626 -0.0504 -0.0139 0.0154 331 SER B CB 4926 O OG . SER B 264 ? 0.8346 0.9666 0.7876 -0.0478 -0.0163 0.0190 331 SER B OG 4927 N N . SER B 265 ? 0.7457 0.8716 0.6941 -0.0486 -0.0137 0.0160 332 SER B N 4928 C CA . SER B 265 ? 0.6976 0.8230 0.6429 -0.0509 -0.0144 0.0170 332 SER B CA 4929 C C . SER B 265 ? 0.7294 0.8517 0.6751 -0.0491 -0.0126 0.0150 332 SER B C 4930 O O . SER B 265 ? 0.7208 0.8423 0.6643 -0.0506 -0.0132 0.0159 332 SER B O 4931 C CB . SER B 265 ? 0.7346 0.8605 0.6805 -0.0505 -0.0178 0.0215 332 SER B CB 4932 O OG . SER B 265 ? 0.7810 0.9049 0.7311 -0.0457 -0.0183 0.0227 332 SER B OG 4933 N N . SER B 266 ? 0.6425 0.7630 0.5908 -0.0462 -0.0106 0.0123 333 SER B N 4934 C CA . SER B 266 ? 0.6449 0.7625 0.5937 -0.0444 -0.0090 0.0104 333 SER B CA 4935 C C . SER B 266 ? 0.6046 0.7230 0.5510 -0.0475 -0.0066 0.0068 333 SER B C 4936 O O . SER B 266 ? 0.5747 0.6950 0.5201 -0.0497 -0.0056 0.0050 333 SER B O 4937 C CB . SER B 266 ? 0.6361 0.7513 0.5888 -0.0399 -0.0080 0.0093 333 SER B CB 4938 O OG . SER B 266 ? 0.6342 0.7503 0.5878 -0.0398 -0.0065 0.0069 333 SER B OG 4939 N N . SER B 267 ? 0.5710 0.6878 0.5170 -0.0475 -0.0055 0.0054 334 SER B N 4940 C CA . SER B 267 ? 0.6310 0.7485 0.5752 -0.0501 -0.0030 0.0017 334 SER B CA 4941 C C . SER B 267 ? 0.5167 0.6320 0.4623 -0.0484 -0.0013 -0.0003 334 SER B C 4942 O O . SER B 267 ? 0.5262 0.6393 0.4729 -0.0460 -0.0024 0.0014 334 SER B O 4943 C CB . SER B 267 ? 0.6612 0.7814 0.6010 -0.0552 -0.0035 0.0024 334 SER B CB 4944 O OG . SER B 267 ? 0.6398 0.7591 0.5783 -0.0556 -0.0050 0.0049 334 SER B OG 4945 N N . SER B 268 ? 0.4920 0.6079 0.4373 -0.0500 0.0011 -0.0040 335 SER B N 4946 C CA . SER B 268 ? 0.5479 0.6625 0.4941 -0.0494 0.0028 -0.0063 335 SER B CA 4947 C C . SER B 268 ? 0.5177 0.6344 0.4619 -0.0532 0.0051 -0.0098 335 SER B C 4948 O O . SER B 268 ? 0.5838 0.7020 0.5279 -0.0545 0.0063 -0.0119 335 SER B O 4949 C CB . SER B 268 ? 0.5306 0.6426 0.4810 -0.0450 0.0037 -0.0080 335 SER B CB 4950 O OG . SER B 268 ? 0.4805 0.5913 0.4322 -0.0443 0.0052 -0.0101 335 SER B OG 4951 N N . ASN B 269 ? 0.5974 0.7145 0.5404 -0.0550 0.0060 -0.0106 336 ASN B N 4952 C CA . ASN B 269 ? 0.6880 0.8073 0.6296 -0.0584 0.0086 -0.0145 336 ASN B CA 4953 C C . ASN B 269 ? 0.7169 0.8350 0.6619 -0.0564 0.0110 -0.0180 336 ASN B C 4954 O O . ASN B 269 ? 0.6844 0.8042 0.6287 -0.0590 0.0131 -0.0209 336 ASN B O 4955 C CB . ASN B 269 ? 0.6876 0.8089 0.6247 -0.0628 0.0083 -0.0133 336 ASN B CB 4956 C CG . ASN B 269 ? 0.7635 0.8834 0.7010 -0.0619 0.0078 -0.0122 336 ASN B CG 4957 O OD1 . ASN B 269 ? 0.8386 0.9560 0.7796 -0.0580 0.0077 -0.0122 336 ASN B OD1 4958 N ND2 . ASN B 269 ? 0.7322 0.8537 0.6659 -0.0658 0.0075 -0.0111 336 ASN B ND2 4959 N N . CYS B 270 ? 0.6553 0.7706 0.6041 -0.0519 0.0105 -0.0176 337 CYS B N 4960 C CA . CYS B 270 ? 0.7379 0.8520 0.6906 -0.0496 0.0123 -0.0206 337 CYS B CA 4961 C C . CYS B 270 ? 0.6107 0.7245 0.5633 -0.0499 0.0125 -0.0205 337 CYS B C 4962 O O . CYS B 270 ? 0.6586 0.7710 0.6144 -0.0475 0.0133 -0.0220 337 CYS B O 4963 C CB . CYS B 270 ? 0.7619 0.8772 0.7161 -0.0507 0.0151 -0.0252 337 CYS B CB 4964 S SG . CYS B 270 ? 1.0205 1.1361 0.9750 -0.0507 0.0152 -0.0260 337 CYS B SG 4965 N N . ARG B 271 ? 0.6758 0.7909 0.6246 -0.0530 0.0116 -0.0186 338 ARG B N 4966 C CA . ARG B 271 ? 0.6615 0.7770 0.6099 -0.0542 0.0123 -0.0191 338 ARG B CA 4967 C C . ARG B 271 ? 0.6554 0.7691 0.6023 -0.0535 0.0097 -0.0149 338 ARG B C 4968 O O . ARG B 271 ? 0.6893 0.8015 0.6376 -0.0521 0.0097 -0.0149 338 ARG B O 4969 C CB . ARG B 271 ? 0.7104 0.8293 0.6556 -0.0592 0.0141 -0.0211 338 ARG B CB 4970 C CG . ARG B 271 ? 0.9241 1.0440 0.8701 -0.0604 0.0158 -0.0233 338 ARG B CG 4971 C CD . ARG B 271 ? 1.0549 1.1783 0.9970 -0.0658 0.0175 -0.0249 338 ARG B CD 4972 N NE . ARG B 271 ? 1.2214 1.3452 1.1585 -0.0687 0.0152 -0.0209 338 ARG B NE 4973 C CZ . ARG B 271 ? 1.2047 1.3309 1.1372 -0.0732 0.0152 -0.0205 338 ARG B CZ 4974 N NH1 . ARG B 271 ? 1.1624 1.2911 1.0943 -0.0756 0.0176 -0.0240 338 ARG B NH1 4975 N NH2 . ARG B 271 ? 1.1047 1.2307 1.0331 -0.0754 0.0127 -0.0164 338 ARG B NH2 4976 N N . ASP B 272 ? 0.6229 0.7365 0.5670 -0.0543 0.0075 -0.0115 339 ASP B N 4977 C CA . ASP B 272 ? 0.6493 0.7613 0.5918 -0.0541 0.0049 -0.0075 339 ASP B CA 4978 C C . ASP B 272 ? 0.6425 0.7521 0.5864 -0.0505 0.0026 -0.0044 339 ASP B C 4979 O O . ASP B 272 ? 0.5907 0.7007 0.5355 -0.0495 0.0025 -0.0047 339 ASP B O 4980 C CB . ASP B 272 ? 0.6856 0.7998 0.6233 -0.0589 0.0041 -0.0058 339 ASP B CB 4981 C CG . ASP B 272 ? 0.7238 0.8409 0.6596 -0.0630 0.0067 -0.0091 339 ASP B CG 4982 O OD1 . ASP B 272 ? 0.7830 0.8998 0.7203 -0.0626 0.0082 -0.0110 339 ASP B OD1 4983 O OD2 . ASP B 272 ? 0.7597 0.8795 0.6927 -0.0665 0.0075 -0.0100 339 ASP B OD2 4984 N N . PRO B 273 ? 0.5961 0.7032 0.5400 -0.0489 0.0006 -0.0015 340 PRO B N 4985 C CA . PRO B 273 ? 0.6242 0.7296 0.5691 -0.0461 -0.0016 0.0016 340 PRO B CA 4986 C C . PRO B 273 ? 0.6174 0.7250 0.5594 -0.0489 -0.0031 0.0038 340 PRO B C 4987 O O . PRO B 273 ? 0.6189 0.7283 0.5574 -0.0530 -0.0032 0.0042 340 PRO B O 4988 C CB . PRO B 273 ? 0.6460 0.7487 0.5908 -0.0449 -0.0034 0.0041 340 PRO B CB 4989 C CG . PRO B 273 ? 0.5998 0.7035 0.5423 -0.0482 -0.0024 0.0031 340 PRO B CG 4990 C CD . PRO B 273 ? 0.5848 0.6910 0.5277 -0.0499 0.0003 -0.0008 340 PRO B CD 4991 N N . ASN B 274 ? 0.5625 0.6699 0.5059 -0.0470 -0.0042 0.0050 341 ASN B N 4992 C CA . ASN B 274 ? 0.5487 0.6586 0.4900 -0.0494 -0.0053 0.0066 341 ASN B CA 4993 C C . ASN B 274 ? 0.5716 0.6811 0.5112 -0.0502 -0.0084 0.0110 341 ASN B C 4994 O O . ASN B 274 ? 0.6482 0.7598 0.5858 -0.0527 -0.0096 0.0126 341 ASN B O 4995 C CB . ASN B 274 ? 0.5326 0.6431 0.4763 -0.0472 -0.0050 0.0058 341 ASN B CB 4996 C CG . ASN B 274 ? 0.5410 0.6488 0.4881 -0.0426 -0.0064 0.0077 341 ASN B CG 4997 O OD1 . ASN B 274 ? 0.5330 0.6386 0.4806 -0.0409 -0.0078 0.0099 341 ASN B OD1 4998 N ND2 . ASN B 274 ? 0.4780 0.5861 0.4273 -0.0406 -0.0058 0.0068 341 ASN B ND2 4999 N N . ASN B 275 ? 0.5994 0.7061 0.5399 -0.0483 -0.0096 0.0129 342 ASN B N 5000 C CA . ASN B 275 ? 0.6415 0.7472 0.5810 -0.0485 -0.0127 0.0172 342 ASN B CA 5001 C C . ASN B 275 ? 0.6382 0.7442 0.5795 -0.0466 -0.0148 0.0198 342 ASN B C 5002 O O . ASN B 275 ? 0.6358 0.7423 0.5757 -0.0481 -0.0173 0.0232 342 ASN B O 5003 C CB . ASN B 275 ? 0.7120 0.8194 0.6470 -0.0535 -0.0136 0.0187 342 ASN B CB 5004 C CG . ASN B 275 ? 0.8409 0.9472 0.7744 -0.0550 -0.0124 0.0174 342 ASN B CG 5005 O OD1 . ASN B 275 ? 1.0641 1.1673 0.9989 -0.0527 -0.0131 0.0185 342 ASN B OD1 5006 N ND2 . ASN B 275 ? 0.8505 0.9593 0.7816 -0.0586 -0.0102 0.0146 342 ASN B ND2 5007 N N . GLU B 276 ? 0.6253 0.7311 0.5698 -0.0433 -0.0137 0.0182 343 GLU B N 5008 C CA . GLU B 276 ? 0.5837 0.6902 0.5304 -0.0414 -0.0153 0.0202 343 GLU B CA 5009 C C . GLU B 276 ? 0.5971 0.7005 0.5476 -0.0364 -0.0155 0.0206 343 GLU B C 5010 O O . GLU B 276 ? 0.6512 0.7536 0.6037 -0.0340 -0.0135 0.0179 343 GLU B O 5011 C CB . GLU B 276 ? 0.6606 0.7698 0.6075 -0.0422 -0.0138 0.0180 343 GLU B CB 5012 C CG . GLU B 276 ? 0.6862 0.7985 0.6292 -0.0471 -0.0132 0.0171 343 GLU B CG 5013 C CD . GLU B 276 ? 0.7650 0.8793 0.7083 -0.0479 -0.0109 0.0136 343 GLU B CD 5014 O OE1 . GLU B 276 ? 0.6915 0.8048 0.6379 -0.0446 -0.0099 0.0122 343 GLU B OE1 5015 O OE2 . GLU B 276 ? 0.7918 0.9085 0.7319 -0.0520 -0.0101 0.0123 343 GLU B OE2 5016 N N . ARG B 277 ? 0.5752 0.6767 0.5265 -0.0350 -0.0178 0.0238 344 ARG B N 5017 C CA . ARG B 277 ? 0.5859 0.6846 0.5408 -0.0305 -0.0183 0.0245 344 ARG B CA 5018 C C . ARG B 277 ? 0.6284 0.7245 0.5841 -0.0285 -0.0162 0.0217 344 ARG B C 5019 O O . ARG B 277 ? 0.6582 0.7534 0.6165 -0.0254 -0.0150 0.0201 344 ARG B O 5020 C CB . ARG B 277 ? 0.5756 0.6760 0.5333 -0.0284 -0.0185 0.0247 344 ARG B CB 5021 C CG . ARG B 277 ? 0.6133 0.7164 0.5706 -0.0303 -0.0207 0.0277 344 ARG B CG 5022 C CD . ARG B 277 ? 0.6354 0.7401 0.5961 -0.0279 -0.0210 0.0281 344 ARG B CD 5023 N NE . ARG B 277 ? 0.6181 0.7206 0.5824 -0.0239 -0.0222 0.0298 344 ARG B NE 5024 C CZ . ARG B 277 ? 0.6607 0.7638 0.6285 -0.0208 -0.0219 0.0296 344 ARG B CZ 5025 N NH1 . ARG B 277 ? 0.6664 0.7718 0.6347 -0.0210 -0.0204 0.0278 344 ARG B NH1 5026 N NH2 . ARG B 277 ? 0.6131 0.7141 0.5840 -0.0175 -0.0229 0.0311 344 ARG B NH2 5027 N N . GLY B 278 ? 0.6181 0.7132 0.5715 -0.0305 -0.0158 0.0211 345 GLY B N 5028 C CA . GLY B 278 ? 0.6361 0.7295 0.5899 -0.0295 -0.0137 0.0182 345 GLY B CA 5029 C C . GLY B 278 ? 0.6810 0.7707 0.6372 -0.0255 -0.0139 0.0184 345 GLY B C 5030 O O . GLY B 278 ? 0.7181 0.8066 0.6753 -0.0240 -0.0122 0.0159 345 GLY B O 5031 N N . ASN B 279 ? 0.7167 0.8047 0.6740 -0.0239 -0.0160 0.0212 346 ASN B N 5032 C CA . ASN B 279 ? 0.6983 0.7826 0.6574 -0.0207 -0.0164 0.0217 346 ASN B CA 5033 C C . ASN B 279 ? 0.6401 0.7238 0.6024 -0.0171 -0.0169 0.0225 346 ASN B C 5034 O O . ASN B 279 ? 0.6659 0.7516 0.6290 -0.0173 -0.0181 0.0242 346 ASN B O 5035 C CB . ASN B 279 ? 0.8461 0.9288 0.8034 -0.0223 -0.0186 0.0246 346 ASN B CB 5036 C CG . ASN B 279 ? 0.9697 1.0487 0.9290 -0.0193 -0.0199 0.0262 346 ASN B CG 5037 O OD1 . ASN B 279 ? 1.1472 1.2259 1.1079 -0.0184 -0.0220 0.0290 346 ASN B OD1 5038 N ND2 . ASN B 279 ? 1.0224 1.0986 0.9819 -0.0178 -0.0188 0.0246 346 ASN B ND2 5039 N N . PRO B 280 ? 0.6175 0.6987 0.5818 -0.0138 -0.0159 0.0211 347 PRO B N 5040 C CA . PRO B 280 ? 0.6009 0.6796 0.5647 -0.0130 -0.0145 0.0189 347 PRO B CA 5041 C C . PRO B 280 ? 0.5932 0.6732 0.5572 -0.0129 -0.0122 0.0157 347 PRO B C 5042 O O . PRO B 280 ? 0.6557 0.7341 0.6194 -0.0126 -0.0111 0.0139 347 PRO B O 5043 C CB . PRO B 280 ? 0.6308 0.7062 0.5969 -0.0093 -0.0149 0.0193 347 PRO B CB 5044 C CG . PRO B 280 ? 0.6617 0.7391 0.6301 -0.0076 -0.0151 0.0200 347 PRO B CG 5045 C CD . PRO B 280 ? 0.6869 0.7675 0.6543 -0.0104 -0.0164 0.0219 347 PRO B CD 5046 N N . GLY B 281 ? 0.5265 0.6092 0.4914 -0.0130 -0.0117 0.0152 348 GLY B N 5047 C CA . GLY B 281 ? 0.4857 0.5693 0.4511 -0.0127 -0.0097 0.0124 348 GLY B CA 5048 C C . GLY B 281 ? 0.5201 0.6016 0.4876 -0.0093 -0.0089 0.0114 348 GLY B C 5049 O O . GLY B 281 ? 0.4618 0.5409 0.4302 -0.0071 -0.0098 0.0125 348 GLY B O 5050 N N . VAL B 282 ? 0.5066 0.5888 0.4746 -0.0090 -0.0074 0.0091 349 VAL B N 5051 C CA . VAL B 282 ? 0.4930 0.5734 0.4626 -0.0062 -0.0066 0.0079 349 VAL B CA 5052 C C . VAL B 282 ? 0.4850 0.5654 0.4545 -0.0067 -0.0050 0.0053 349 VAL B C 5053 O O . VAL B 282 ? 0.4596 0.5422 0.4285 -0.0089 -0.0044 0.0042 349 VAL B O 5054 C CB . VAL B 282 ? 0.4811 0.5628 0.4522 -0.0047 -0.0066 0.0086 349 VAL B CB 5055 C CG1 . VAL B 282 ? 0.4717 0.5563 0.4428 -0.0063 -0.0058 0.0075 349 VAL B CG1 5056 C CG2 . VAL B 282 ? 0.4902 0.5697 0.4627 -0.0018 -0.0060 0.0078 349 VAL B CG2 5057 N N . LYS B 283 ? 0.4656 0.5435 0.4358 -0.0048 -0.0045 0.0042 350 LYS B N 5058 C CA . LYS B 283 ? 0.4278 0.5057 0.3985 -0.0050 -0.0033 0.0018 350 LYS B CA 5059 C C . LYS B 283 ? 0.4523 0.5320 0.4239 -0.0051 -0.0025 0.0010 350 LYS B C 5060 O O . LYS B 283 ? 0.4291 0.5088 0.4013 -0.0036 -0.0027 0.0018 350 LYS B O 5061 C CB . LYS B 283 ? 0.4919 0.5667 0.4630 -0.0029 -0.0032 0.0011 350 LYS B CB 5062 C CG . LYS B 283 ? 0.4802 0.5548 0.4521 -0.0031 -0.0022 -0.0010 350 LYS B CG 5063 C CD . LYS B 283 ? 0.5864 0.6581 0.5587 -0.0010 -0.0023 -0.0014 350 LYS B CD 5064 C CE . LYS B 283 ? 0.5706 0.6422 0.5441 -0.0010 -0.0015 -0.0034 350 LYS B CE 5065 N NZ . LYS B 283 ? 0.5508 0.6232 0.5247 -0.0026 -0.0011 -0.0047 350 LYS B NZ 5066 N N . GLY B 284 ? 0.3900 0.4712 0.3616 -0.0068 -0.0016 -0.0007 351 GLY B N 5067 C CA . GLY B 284 ? 0.3847 0.4672 0.3571 -0.0070 -0.0008 -0.0018 351 GLY B CA 5068 C C . GLY B 284 ? 0.4137 0.4965 0.3867 -0.0081 0.0003 -0.0043 351 GLY B C 5069 O O . GLY B 284 ? 0.4638 0.5455 0.4371 -0.0081 0.0004 -0.0051 351 GLY B O 5070 N N . TRP B 285 ? 0.4160 0.5003 0.3897 -0.0088 0.0010 -0.0054 352 TRP B N 5071 C CA . TRP B 285 ? 0.3916 0.4759 0.3666 -0.0094 0.0021 -0.0079 352 TRP B CA 5072 C C . TRP B 285 ? 0.4448 0.5314 0.4196 -0.0115 0.0030 -0.0090 352 TRP B C 5073 O O . TRP B 285 ? 0.3669 0.4550 0.3408 -0.0122 0.0026 -0.0078 352 TRP B O 5074 C CB . TRP B 285 ? 0.4134 0.4953 0.3899 -0.0071 0.0022 -0.0084 352 TRP B CB 5075 C CG . TRP B 285 ? 0.4270 0.5091 0.4036 -0.0063 0.0020 -0.0076 352 TRP B CG 5076 C CD1 . TRP B 285 ? 0.4556 0.5370 0.4317 -0.0048 0.0013 -0.0057 352 TRP B CD1 5077 C CD2 . TRP B 285 ? 0.4337 0.5167 0.4109 -0.0071 0.0027 -0.0086 352 TRP B CD2 5078 N NE1 . TRP B 285 ? 0.4559 0.5380 0.4322 -0.0046 0.0015 -0.0054 352 TRP B NE1 5079 C CE2 . TRP B 285 ? 0.4164 0.4994 0.3933 -0.0061 0.0023 -0.0071 352 TRP B CE2 5080 C CE3 . TRP B 285 ? 0.4499 0.5338 0.4279 -0.0086 0.0036 -0.0107 352 TRP B CE3 5081 C CZ2 . TRP B 285 ? 0.4082 0.4921 0.3855 -0.0067 0.0027 -0.0075 352 TRP B CZ2 5082 C CZ3 . TRP B 285 ? 0.4288 0.5134 0.4072 -0.0092 0.0040 -0.0111 352 TRP B CZ3 5083 C CH2 . TRP B 285 ? 0.4279 0.5124 0.4059 -0.0082 0.0035 -0.0095 352 TRP B CH2 5084 N N . ALA B 286 ? 0.4019 0.4888 0.3779 -0.0123 0.0041 -0.0115 353 ALA B N 5085 C CA . ALA B 286 ? 0.4296 0.5181 0.4060 -0.0141 0.0051 -0.0132 353 ALA B CA 5086 C C . ALA B 286 ? 0.4303 0.5180 0.4090 -0.0139 0.0062 -0.0159 353 ALA B C 5087 O O . ALA B 286 ? 0.4225 0.5092 0.4021 -0.0132 0.0062 -0.0164 353 ALA B O 5088 C CB . ALA B 286 ? 0.4105 0.5018 0.3849 -0.0170 0.0054 -0.0132 353 ALA B CB 5089 N N . PHE B 287 ? 0.4264 0.5144 0.4061 -0.0146 0.0071 -0.0176 354 PHE B N 5090 C CA . PHE B 287 ? 0.4510 0.5387 0.4333 -0.0147 0.0082 -0.0204 354 PHE B CA 5091 C C . PHE B 287 ? 0.4682 0.5574 0.4507 -0.0168 0.0095 -0.0226 354 PHE B C 5092 O O . PHE B 287 ? 0.5101 0.6002 0.4911 -0.0178 0.0094 -0.0219 354 PHE B O 5093 C CB . PHE B 287 ? 0.4230 0.5077 0.4076 -0.0121 0.0077 -0.0205 354 PHE B CB 5094 C CG . PHE B 287 ? 0.4551 0.5386 0.4401 -0.0112 0.0073 -0.0200 354 PHE B CG 5095 C CD1 . PHE B 287 ? 0.4085 0.4911 0.3919 -0.0099 0.0062 -0.0174 354 PHE B CD1 5096 C CD2 . PHE B 287 ? 0.4353 0.5183 0.4222 -0.0116 0.0081 -0.0220 354 PHE B CD2 5097 C CE1 . PHE B 287 ? 0.3989 0.4804 0.3826 -0.0093 0.0059 -0.0169 354 PHE B CE1 5098 C CE2 . PHE B 287 ? 0.4206 0.5022 0.4076 -0.0109 0.0077 -0.0214 354 PHE B CE2 5099 C CZ . PHE B 287 ? 0.3997 0.4807 0.3850 -0.0098 0.0066 -0.0188 354 PHE B CZ 5100 N N . ASP B 288 ? 0.5003 0.5900 0.4847 -0.0176 0.0108 -0.0254 355 ASP B N 5101 C CA . ASP B 288 ? 0.5228 0.6140 0.5076 -0.0198 0.0124 -0.0281 355 ASP B CA 5102 C C . ASP B 288 ? 0.5433 0.6324 0.5308 -0.0185 0.0127 -0.0295 355 ASP B C 5103 O O . ASP B 288 ? 0.5210 0.6079 0.5112 -0.0162 0.0121 -0.0295 355 ASP B O 5104 C CB . ASP B 288 ? 0.5024 0.5954 0.4883 -0.0214 0.0139 -0.0307 355 ASP B CB 5105 C CG . ASP B 288 ? 0.5444 0.6357 0.5342 -0.0193 0.0141 -0.0321 355 ASP B CG 5106 O OD1 . ASP B 288 ? 0.6022 0.6923 0.5924 -0.0174 0.0129 -0.0303 355 ASP B OD1 5107 O OD2 . ASP B 288 ? 0.4829 0.5741 0.4756 -0.0194 0.0154 -0.0349 355 ASP B OD2 5108 N N . ASN B 289 ? 0.5865 0.6764 0.5733 -0.0202 0.0134 -0.0306 356 ASN B N 5109 C CA . ASN B 289 ? 0.5827 0.6710 0.5723 -0.0198 0.0142 -0.0328 356 ASN B CA 5110 C C . ASN B 289 ? 0.5646 0.6549 0.5538 -0.0227 0.0160 -0.0358 356 ASN B C 5111 O O . ASN B 289 ? 0.4480 0.5395 0.4348 -0.0246 0.0161 -0.0355 356 ASN B O 5112 C CB . ASN B 289 ? 0.6515 0.7380 0.6405 -0.0187 0.0130 -0.0309 356 ASN B CB 5113 C CG . ASN B 289 ? 0.6937 0.7777 0.6858 -0.0179 0.0134 -0.0328 356 ASN B CG 5114 O OD1 . ASN B 289 ? 0.7012 0.7850 0.6926 -0.0189 0.0136 -0.0331 356 ASN B OD1 5115 N ND2 . ASN B 289 ? 0.6388 0.7211 0.6343 -0.0161 0.0134 -0.0340 356 ASN B ND2 5116 N N . GLY B 290 ? 0.5847 0.6756 0.5763 -0.0231 0.0175 -0.0387 357 GLY B N 5117 C CA . GLY B 290 ? 0.5893 0.6825 0.5805 -0.0261 0.0196 -0.0419 357 GLY B CA 5118 C C . GLY B 290 ? 0.5746 0.6709 0.5614 -0.0289 0.0197 -0.0408 357 GLY B C 5119 O O . GLY B 290 ? 0.6322 0.7296 0.6179 -0.0290 0.0193 -0.0396 357 GLY B O 5120 N N . ASN B 291 ? 0.5959 0.6935 0.5800 -0.0314 0.0201 -0.0411 358 ASN B N 5121 C CA . ASN B 291 ? 0.6328 0.7334 0.6124 -0.0343 0.0199 -0.0397 358 ASN B CA 5122 C C . ASN B 291 ? 0.5825 0.6829 0.5596 -0.0334 0.0177 -0.0354 358 ASN B C 5123 O O . ASN B 291 ? 0.5623 0.6649 0.5361 -0.0354 0.0171 -0.0336 358 ASN B O 5124 C CB . ASN B 291 ? 0.6435 0.7457 0.6213 -0.0376 0.0214 -0.0420 358 ASN B CB 5125 C CG . ASN B 291 ? 0.6396 0.7426 0.6192 -0.0392 0.0240 -0.0465 358 ASN B CG 5126 O OD1 . ASN B 291 ? 0.6490 0.7535 0.6289 -0.0397 0.0248 -0.0473 358 ASN B OD1 5127 N ND2 . ASN B 291 ? 0.6362 0.7384 0.6175 -0.0398 0.0253 -0.0493 358 ASN B ND2 5128 N N . ASP B 292 ? 0.5569 0.6547 0.5357 -0.0306 0.0164 -0.0338 359 ASP B N 5129 C CA . ASP B 292 ? 0.5852 0.6828 0.5623 -0.0295 0.0145 -0.0301 359 ASP B CA 5130 C C . ASP B 292 ? 0.5616 0.6581 0.5391 -0.0270 0.0132 -0.0278 359 ASP B C 5131 O O . ASP B 292 ? 0.5829 0.6783 0.5627 -0.0256 0.0137 -0.0290 359 ASP B O 5132 C CB . ASP B 292 ? 0.5958 0.6914 0.5742 -0.0280 0.0140 -0.0297 359 ASP B CB 5133 C CG . ASP B 292 ? 0.6276 0.7240 0.6053 -0.0305 0.0150 -0.0317 359 ASP B CG 5134 O OD1 . ASP B 292 ? 0.6030 0.7018 0.5788 -0.0336 0.0161 -0.0334 359 ASP B OD1 5135 O OD2 . ASP B 292 ? 0.6220 0.7166 0.6009 -0.0296 0.0147 -0.0316 359 ASP B OD2 5136 N N . VAL B 293 ? 0.5044 0.6016 0.4798 -0.0267 0.0117 -0.0245 360 VAL B N 5137 C CA . VAL B 293 ? 0.5687 0.6645 0.5445 -0.0242 0.0103 -0.0222 360 VAL B CA 5138 C C . VAL B 293 ? 0.5206 0.6151 0.4966 -0.0221 0.0090 -0.0198 360 VAL B C 5139 O O . VAL B 293 ? 0.4985 0.5945 0.4731 -0.0233 0.0086 -0.0187 360 VAL B O 5140 C CB . VAL B 293 ? 0.5361 0.6335 0.5094 -0.0249 0.0092 -0.0196 360 VAL B CB 5141 C CG1 . VAL B 293 ? 0.5206 0.6168 0.4947 -0.0236 0.0091 -0.0195 360 VAL B CG1 5142 C CG2 . VAL B 293 ? 0.5153 0.6157 0.4859 -0.0283 0.0095 -0.0197 360 VAL B CG2 5143 N N . TRP B 294 ? 0.4475 0.5396 0.4251 -0.0193 0.0084 -0.0190 361 TRP B N 5144 C CA . TRP B 294 ? 0.4860 0.5770 0.4634 -0.0173 0.0071 -0.0165 361 TRP B CA 5145 C C . TRP B 294 ? 0.4479 0.5389 0.4244 -0.0162 0.0061 -0.0143 361 TRP B C 5146 O O . TRP B 294 ? 0.4420 0.5323 0.4190 -0.0158 0.0062 -0.0149 361 TRP B O 5147 C CB . TRP B 294 ? 0.4717 0.5597 0.4514 -0.0150 0.0070 -0.0170 361 TRP B CB 5148 C CG . TRP B 294 ? 0.4711 0.5585 0.4519 -0.0154 0.0076 -0.0184 361 TRP B CG 5149 C CD1 . TRP B 294 ? 0.4894 0.5756 0.4721 -0.0158 0.0086 -0.0210 361 TRP B CD1 5150 C CD2 . TRP B 294 ? 0.4759 0.5633 0.4560 -0.0155 0.0072 -0.0172 361 TRP B CD2 5151 N NE1 . TRP B 294 ? 0.4938 0.5794 0.4770 -0.0162 0.0088 -0.0216 361 TRP B NE1 5152 C CE2 . TRP B 294 ? 0.4405 0.5268 0.4221 -0.0161 0.0080 -0.0193 361 TRP B CE2 5153 C CE3 . TRP B 294 ? 0.4442 0.5328 0.4231 -0.0151 0.0063 -0.0148 361 TRP B CE3 5154 C CZ2 . TRP B 294 ? 0.4589 0.5449 0.4403 -0.0164 0.0078 -0.0188 361 TRP B CZ2 5155 C CZ3 . TRP B 294 ? 0.3946 0.4834 0.3734 -0.0156 0.0063 -0.0144 361 TRP B CZ3 5156 C CH2 . TRP B 294 ? 0.4396 0.5270 0.4195 -0.0163 0.0070 -0.0164 361 TRP B CH2 5157 N N . MET B 295 ? 0.4577 0.5495 0.4330 -0.0158 0.0050 -0.0119 362 MET B N 5158 C CA . MET B 295 ? 0.4983 0.5901 0.4727 -0.0150 0.0040 -0.0098 362 MET B CA 5159 C C . MET B 295 ? 0.4523 0.5439 0.4267 -0.0133 0.0030 -0.0074 362 MET B C 5160 O O . MET B 295 ? 0.4711 0.5637 0.4456 -0.0136 0.0030 -0.0071 362 MET B O 5161 C CB . MET B 295 ? 0.5003 0.5945 0.4728 -0.0175 0.0039 -0.0094 362 MET B CB 5162 C CG . MET B 295 ? 0.5688 0.6657 0.5400 -0.0199 0.0038 -0.0091 362 MET B CG 5163 S SD . MET B 295 ? 0.5692 0.6689 0.5377 -0.0232 0.0034 -0.0083 362 MET B SD 5164 C CE . MET B 295 ? 0.6098 0.7093 0.5779 -0.0215 0.0014 -0.0045 362 MET B CE 5165 N N . GLY B 296 ? 0.4689 0.5593 0.4432 -0.0116 0.0022 -0.0059 363 GLY B N 5166 C CA . GLY B 296 ? 0.4916 0.5822 0.4659 -0.0101 0.0012 -0.0036 363 GLY B CA 5167 C C . GLY B 296 ? 0.4653 0.5573 0.4386 -0.0108 0.0002 -0.0016 363 GLY B C 5168 O O . GLY B 296 ? 0.5266 0.6186 0.4988 -0.0121 0.0001 -0.0020 363 GLY B O 5169 N N . ARG B 297 ? 0.4094 0.5024 0.3830 -0.0100 -0.0006 0.0003 364 ARG B N 5170 C CA . ARG B 297 ? 0.4271 0.5208 0.4002 -0.0100 -0.0019 0.0025 364 ARG B CA 5171 C C . ARG B 297 ? 0.4524 0.5466 0.4268 -0.0081 -0.0027 0.0044 364 ARG B C 5172 O O . ARG B 297 ? 0.4551 0.5499 0.4305 -0.0075 -0.0022 0.0041 364 ARG B O 5173 C CB . ARG B 297 ? 0.4582 0.5544 0.4298 -0.0130 -0.0024 0.0029 364 ARG B CB 5174 C CG . ARG B 297 ? 0.4556 0.5546 0.4273 -0.0143 -0.0024 0.0032 364 ARG B CG 5175 C CD . ARG B 297 ? 0.4714 0.5728 0.4411 -0.0178 -0.0027 0.0032 364 ARG B CD 5176 N NE . ARG B 297 ? 0.4962 0.6005 0.4659 -0.0192 -0.0032 0.0041 364 ARG B NE 5177 C CZ . ARG B 297 ? 0.5266 0.6335 0.4945 -0.0223 -0.0037 0.0045 364 ARG B CZ 5178 N NH1 . ARG B 297 ? 0.4999 0.6094 0.4680 -0.0234 -0.0042 0.0053 364 ARG B NH1 5179 N NH2 . ARG B 297 ? 0.4720 0.5791 0.4378 -0.0245 -0.0037 0.0040 364 ARG B NH2 5180 N N . THR B 298 ? 0.4432 0.5372 0.4178 -0.0074 -0.0039 0.0063 365 THR B N 5181 C CA . THR B 298 ? 0.5084 0.6033 0.4846 -0.0057 -0.0047 0.0082 365 THR B CA 5182 C C . THR B 298 ? 0.5100 0.6085 0.4864 -0.0076 -0.0052 0.0091 365 THR B C 5183 O O . THR B 298 ? 0.4585 0.5586 0.4334 -0.0102 -0.0054 0.0089 365 THR B O 5184 C CB . THR B 298 ? 0.5099 0.6037 0.4865 -0.0046 -0.0060 0.0102 365 THR B CB 5185 O OG1 . THR B 298 ? 0.5088 0.6041 0.4839 -0.0070 -0.0071 0.0113 365 THR B OG1 5186 C CG2 . THR B 298 ? 0.5210 0.6112 0.4971 -0.0031 -0.0056 0.0093 365 THR B CG2 5187 N N . ILE B 299 ? 0.4699 0.5699 0.4482 -0.0063 -0.0053 0.0100 366 ILE B N 5188 C CA . ILE B 299 ? 0.5247 0.6284 0.5035 -0.0080 -0.0060 0.0110 366 ILE B CA 5189 C C . ILE B 299 ? 0.5540 0.6593 0.5329 -0.0089 -0.0078 0.0135 366 ILE B C 5190 O O . ILE B 299 ? 0.5005 0.6082 0.4781 -0.0116 -0.0086 0.0140 366 ILE B O 5191 C CB . ILE B 299 ? 0.5318 0.6368 0.5127 -0.0066 -0.0055 0.0111 366 ILE B CB 5192 C CG1 . ILE B 299 ? 0.5611 0.6648 0.5412 -0.0068 -0.0038 0.0088 366 ILE B CG1 5193 C CG2 . ILE B 299 ? 0.4767 0.5857 0.4583 -0.0083 -0.0064 0.0126 366 ILE B CG2 5194 C CD1 . ILE B 299 ? 0.5314 0.6356 0.5134 -0.0051 -0.0031 0.0088 366 ILE B CD1 5195 N N . SER B 300 ? 0.5480 0.6518 0.5282 -0.0067 -0.0087 0.0149 367 SER B N 5196 C CA . SER B 300 ? 0.4910 0.5959 0.4715 -0.0074 -0.0107 0.0174 367 SER B CA 5197 C C . SER B 300 ? 0.4986 0.6023 0.4760 -0.0097 -0.0111 0.0172 367 SER B C 5198 O O . SER B 300 ? 0.5670 0.6680 0.5431 -0.0094 -0.0100 0.0155 367 SER B O 5199 C CB . SER B 300 ? 0.4782 0.5814 0.4611 -0.0043 -0.0114 0.0188 367 SER B CB 5200 O OG . SER B 300 ? 0.5308 0.6336 0.5135 -0.0048 -0.0134 0.0210 367 SER B OG 5201 N N . GLU B 301 ? 0.5589 0.6648 0.5355 -0.0120 -0.0127 0.0190 368 GLU B N 5202 C CA . GLU B 301 ? 0.5920 0.6972 0.5655 -0.0146 -0.0133 0.0193 368 GLU B CA 5203 C C . GLU B 301 ? 0.5449 0.6477 0.5189 -0.0133 -0.0147 0.0212 368 GLU B C 5204 O O . GLU B 301 ? 0.5494 0.6510 0.5209 -0.0151 -0.0151 0.0213 368 GLU B O 5205 C CB . GLU B 301 ? 0.6329 0.7415 0.6048 -0.0180 -0.0146 0.0207 368 GLU B CB 5206 C CG . GLU B 301 ? 0.7510 0.8617 0.7218 -0.0200 -0.0130 0.0185 368 GLU B CG 5207 C CD . GLU B 301 ? 0.7620 0.8764 0.7338 -0.0212 -0.0141 0.0198 368 GLU B CD 5208 O OE1 . GLU B 301 ? 0.9789 1.0946 0.9527 -0.0202 -0.0159 0.0225 368 GLU B OE1 5209 O OE2 . GLU B 301 ? 0.9382 1.0543 0.9088 -0.0232 -0.0130 0.0182 368 GLU B OE2 5210 N N . ASP B 302 ? 0.5231 0.6252 0.5001 -0.0103 -0.0155 0.0226 369 ASP B N 5211 C CA . ASP B 302 ? 0.5980 0.6978 0.5759 -0.0088 -0.0171 0.0246 369 ASP B CA 5212 C C . ASP B 302 ? 0.6504 0.7466 0.6294 -0.0058 -0.0159 0.0233 369 ASP B C 5213 O O . ASP B 302 ? 0.6616 0.7549 0.6396 -0.0055 -0.0164 0.0237 369 ASP B O 5214 C CB . ASP B 302 ? 0.5977 0.6992 0.5788 -0.0075 -0.0190 0.0274 369 ASP B CB 5215 C CG . ASP B 302 ? 0.6926 0.7979 0.6729 -0.0105 -0.0206 0.0292 369 ASP B CG 5216 O OD1 . ASP B 302 ? 0.7249 0.8305 0.7019 -0.0137 -0.0213 0.0296 369 ASP B OD1 5217 O OD2 . ASP B 302 ? 0.8431 0.9513 0.8259 -0.0098 -0.0212 0.0301 369 ASP B OD2 5218 N N . SER B 303 ? 0.6226 0.7187 0.6033 -0.0036 -0.0144 0.0217 370 SER B N 5219 C CA . SER B 303 ? 0.5974 0.6902 0.5790 -0.0008 -0.0134 0.0205 370 SER B CA 5220 C C . SER B 303 ? 0.5342 0.6262 0.5150 -0.0004 -0.0112 0.0177 370 SER B C 5221 O O . SER B 303 ? 0.5788 0.6731 0.5590 -0.0019 -0.0103 0.0166 370 SER B O 5222 C CB . SER B 303 ? 0.6426 0.7355 0.6278 0.0019 -0.0142 0.0220 370 SER B CB 5223 O OG . SER B 303 ? 0.7431 0.8389 0.7302 0.0025 -0.0134 0.0216 370 SER B OG 5224 N N . ARG B 304 ? 0.5535 0.6423 0.5345 0.0016 -0.0103 0.0165 371 ARG B N 5225 C CA . ARG B 304 ? 0.5485 0.6361 0.5288 0.0023 -0.0084 0.0141 371 ARG B CA 5226 C C . ARG B 304 ? 0.5499 0.6387 0.5323 0.0041 -0.0075 0.0136 371 ARG B C 5227 O O . ARG B 304 ? 0.5617 0.6486 0.5450 0.0064 -0.0067 0.0129 371 ARG B O 5228 C CB . ARG B 304 ? 0.6185 0.7021 0.5979 0.0036 -0.0080 0.0131 371 ARG B CB 5229 C CG . ARG B 304 ? 0.6131 0.6956 0.5904 0.0017 -0.0087 0.0134 371 ARG B CG 5230 C CD . ARG B 304 ? 0.5588 0.6373 0.5357 0.0032 -0.0088 0.0131 371 ARG B CD 5231 N NE . ARG B 304 ? 0.5633 0.6408 0.5380 0.0012 -0.0093 0.0131 371 ARG B NE 5232 C CZ . ARG B 304 ? 0.4962 0.5707 0.4699 0.0015 -0.0092 0.0125 371 ARG B CZ 5233 N NH1 . ARG B 304 ? 0.5356 0.6074 0.5099 0.0038 -0.0086 0.0117 371 ARG B NH1 5234 N NH2 . ARG B 304 ? 0.4630 0.5373 0.4349 -0.0006 -0.0096 0.0126 371 ARG B NH2 5235 N N . SER B 305 ? 0.5352 0.6275 0.5183 0.0028 -0.0076 0.0140 372 SER B N 5236 C CA . SER B 305 ? 0.5319 0.6261 0.5170 0.0040 -0.0068 0.0138 372 SER B CA 5237 C C . SER B 305 ? 0.5217 0.6179 0.5056 0.0020 -0.0060 0.0126 372 SER B C 5238 O O . SER B 305 ? 0.5022 0.5999 0.4847 -0.0004 -0.0065 0.0128 372 SER B O 5239 C CB . SER B 305 ? 0.5448 0.6414 0.5327 0.0049 -0.0081 0.0160 372 SER B CB 5240 O OG . SER B 305 ? 0.6517 0.7516 0.6395 0.0026 -0.0092 0.0172 372 SER B OG 5241 N N . GLY B 306 ? 0.4730 0.5690 0.4574 0.0029 -0.0046 0.0113 373 GLY B N 5242 C CA . GLY B 306 ? 0.4617 0.5588 0.4450 0.0012 -0.0037 0.0100 373 GLY B CA 5243 C C . GLY B 306 ? 0.4217 0.5165 0.4027 0.0000 -0.0031 0.0082 373 GLY B C 5244 O O . GLY B 306 ? 0.4426 0.5354 0.4226 0.0000 -0.0035 0.0082 373 GLY B O 5245 N N . TYR B 307 ? 0.3833 0.4785 0.3637 -0.0010 -0.0021 0.0068 374 TYR B N 5246 C CA . TYR B 307 ? 0.4258 0.5194 0.4045 -0.0023 -0.0016 0.0051 374 TYR B CA 5247 C C . TYR B 307 ? 0.4214 0.5165 0.3999 -0.0040 -0.0009 0.0040 374 TYR B C 5248 O O . TYR B 307 ? 0.4932 0.5889 0.4725 -0.0035 -0.0004 0.0040 374 TYR B O 5249 C CB . TYR B 307 ? 0.4366 0.5267 0.4150 -0.0005 -0.0009 0.0039 374 TYR B CB 5250 C CG . TYR B 307 ? 0.4064 0.4947 0.3835 -0.0016 -0.0007 0.0026 374 TYR B CG 5251 C CD1 . TYR B 307 ? 0.4109 0.4983 0.3874 -0.0017 -0.0013 0.0030 374 TYR B CD1 5252 C CD2 . TYR B 307 ? 0.4057 0.4936 0.3825 -0.0026 0.0000 0.0008 374 TYR B CD2 5253 C CE1 . TYR B 307 ? 0.4209 0.5073 0.3964 -0.0028 -0.0011 0.0017 374 TYR B CE1 5254 C CE2 . TYR B 307 ? 0.4597 0.5464 0.4359 -0.0035 0.0003 -0.0005 374 TYR B CE2 5255 C CZ . TYR B 307 ? 0.4647 0.5508 0.4402 -0.0037 -0.0002 0.0000 374 TYR B CZ 5256 O OH . TYR B 307 ? 0.4894 0.5746 0.4645 -0.0047 0.0001 -0.0015 374 TYR B OH 5257 N N . GLU B 308 ? 0.4134 0.5088 0.3907 -0.0061 -0.0007 0.0029 375 GLU B N 5258 C CA . GLU B 308 ? 0.4072 0.5038 0.3842 -0.0081 -0.0001 0.0017 375 GLU B CA 5259 C C . GLU B 308 ? 0.4321 0.5270 0.4081 -0.0091 0.0006 -0.0003 375 GLU B C 5260 O O . GLU B 308 ? 0.4144 0.5085 0.3898 -0.0093 0.0003 -0.0005 375 GLU B O 5261 C CB . GLU B 308 ? 0.4272 0.5273 0.4038 -0.0103 -0.0008 0.0027 375 GLU B CB 5262 C CG . GLU B 308 ? 0.4511 0.5519 0.4263 -0.0119 -0.0015 0.0032 375 GLU B CG 5263 C CD . GLU B 308 ? 0.5417 0.6463 0.5164 -0.0143 -0.0025 0.0046 375 GLU B CD 5264 O OE1 . GLU B 308 ? 0.5220 0.6285 0.4973 -0.0150 -0.0024 0.0048 375 GLU B OE1 5265 O OE2 . GLU B 308 ? 0.5096 0.6152 0.4831 -0.0158 -0.0035 0.0056 375 GLU B OE2 5266 N N . THR B 309 ? 0.4225 0.5169 0.3986 -0.0099 0.0014 -0.0019 376 THR B N 5267 C CA . THR B 309 ? 0.4518 0.5452 0.4276 -0.0112 0.0022 -0.0041 376 THR B CA 5268 C C . THR B 309 ? 0.4423 0.5377 0.4176 -0.0137 0.0027 -0.0052 376 THR B C 5269 O O . THR B 309 ? 0.4576 0.5544 0.4331 -0.0142 0.0025 -0.0045 376 THR B O 5270 C CB . THR B 309 ? 0.4796 0.5700 0.4563 -0.0097 0.0028 -0.0055 376 THR B CB 5271 O OG1 . THR B 309 ? 0.4684 0.5586 0.4457 -0.0091 0.0029 -0.0051 376 THR B OG1 5272 C CG2 . THR B 309 ? 0.5453 0.6336 0.5222 -0.0076 0.0024 -0.0048 376 THR B CG2 5273 N N . PHE B 310 ? 0.4231 0.5184 0.3978 -0.0154 0.0033 -0.0070 377 PHE B N 5274 C CA . PHE B 310 ? 0.4348 0.5316 0.4091 -0.0179 0.0040 -0.0086 377 PHE B CA 5275 C C . PHE B 310 ? 0.4286 0.5247 0.4029 -0.0192 0.0051 -0.0111 377 PHE B C 5276 O O . PHE B 310 ? 0.4432 0.5382 0.4176 -0.0184 0.0051 -0.0114 377 PHE B O 5277 C CB . PHE B 310 ? 0.3946 0.4948 0.3675 -0.0201 0.0033 -0.0071 377 PHE B CB 5278 C CG . PHE B 310 ? 0.4176 0.5191 0.3892 -0.0207 0.0025 -0.0058 377 PHE B CG 5279 C CD1 . PHE B 310 ? 0.4432 0.5451 0.4135 -0.0227 0.0031 -0.0073 377 PHE B CD1 5280 C CD2 . PHE B 310 ? 0.4367 0.5390 0.4085 -0.0194 0.0012 -0.0031 377 PHE B CD2 5281 C CE1 . PHE B 310 ? 0.4819 0.5850 0.4508 -0.0236 0.0023 -0.0058 377 PHE B CE1 5282 C CE2 . PHE B 310 ? 0.4603 0.5634 0.4310 -0.0200 0.0003 -0.0017 377 PHE B CE2 5283 C CZ . PHE B 310 ? 0.5131 0.6167 0.4823 -0.0222 0.0008 -0.0030 377 PHE B CZ 5284 N N . ARG B 311 ? 0.4757 0.5725 0.4498 -0.0212 0.0059 -0.0130 378 ARG B N 5285 C CA . ARG B 311 ? 0.4614 0.5581 0.4354 -0.0229 0.0072 -0.0156 378 ARG B CA 5286 C C . ARG B 311 ? 0.4996 0.5994 0.4712 -0.0262 0.0073 -0.0159 378 ARG B C 5287 O O . ARG B 311 ? 0.4620 0.5638 0.4326 -0.0276 0.0068 -0.0147 378 ARG B O 5288 C CB . ARG B 311 ? 0.4836 0.5785 0.4592 -0.0228 0.0081 -0.0178 378 ARG B CB 5289 C CG . ARG B 311 ? 0.5503 0.6451 0.5264 -0.0244 0.0096 -0.0210 378 ARG B CG 5290 C CD . ARG B 311 ? 0.5784 0.6704 0.5569 -0.0233 0.0103 -0.0230 378 ARG B CD 5291 N NE . ARG B 311 ? 0.6879 0.7805 0.6661 -0.0255 0.0112 -0.0249 378 ARG B NE 5292 C CZ . ARG B 311 ? 0.6815 0.7733 0.6600 -0.0255 0.0109 -0.0245 378 ARG B CZ 5293 N NH1 . ARG B 311 ? 0.7195 0.8117 0.6978 -0.0277 0.0118 -0.0266 378 ARG B NH1 5294 N NH2 . ARG B 311 ? 0.7958 0.8865 0.7746 -0.0236 0.0098 -0.0222 378 ARG B NH2 5295 N N . VAL B 312 ? 0.4961 0.5966 0.4670 -0.0276 0.0081 -0.0173 379 VAL B N 5296 C CA . VAL B 312 ? 0.5427 0.6460 0.5111 -0.0311 0.0084 -0.0178 379 VAL B CA 5297 C C . VAL B 312 ? 0.5673 0.6704 0.5363 -0.0328 0.0103 -0.0215 379 VAL B C 5298 O O . VAL B 312 ? 0.5612 0.6632 0.5313 -0.0322 0.0112 -0.0232 379 VAL B O 5299 C CB . VAL B 312 ? 0.5532 0.6579 0.5198 -0.0319 0.0076 -0.0162 379 VAL B CB 5300 C CG1 . VAL B 312 ? 0.5180 0.6258 0.4816 -0.0359 0.0078 -0.0164 379 VAL B CG1 5301 C CG2 . VAL B 312 ? 0.5588 0.6633 0.5255 -0.0298 0.0057 -0.0126 379 VAL B CG2 5302 N N . THR B 313 ? 0.5878 0.6920 0.5559 -0.0350 0.0109 -0.0228 380 THR B N 5303 C CA . THR B 313 ? 0.6536 0.7574 0.6223 -0.0367 0.0129 -0.0267 380 THR B CA 5304 C C . THR B 313 ? 0.5805 0.6865 0.5471 -0.0395 0.0139 -0.0280 380 THR B C 5305 O O . THR B 313 ? 0.5443 0.6528 0.5080 -0.0416 0.0130 -0.0261 380 THR B O 5306 C CB . THR B 313 ? 0.6826 0.7868 0.6508 -0.0386 0.0134 -0.0279 380 THR B CB 5307 O OG1 . THR B 313 ? 0.8008 0.9080 0.7657 -0.0414 0.0126 -0.0264 380 THR B OG1 5308 C CG2 . THR B 313 ? 0.7233 0.8254 0.6933 -0.0361 0.0125 -0.0265 380 THR B CG2 5309 N N . ASP B 314 ? 0.5861 0.6912 0.5545 -0.0393 0.0155 -0.0309 381 ASP B N 5310 C CA . ASP B 314 ? 0.5926 0.6997 0.5594 -0.0416 0.0166 -0.0323 381 ASP B CA 5311 C C . ASP B 314 ? 0.5498 0.6575 0.5153 -0.0410 0.0152 -0.0295 381 ASP B C 5312 O O . ASP B 314 ? 0.5698 0.6793 0.5335 -0.0432 0.0159 -0.0301 381 ASP B O 5313 C CB . ASP B 314 ? 0.6904 0.8002 0.6540 -0.0459 0.0175 -0.0337 381 ASP B CB 5314 C CG . ASP B 314 ? 0.7555 0.8644 0.7205 -0.0468 0.0193 -0.0374 381 ASP B CG 5315 O OD1 . ASP B 314 ? 0.7540 0.8614 0.7222 -0.0456 0.0209 -0.0405 381 ASP B OD1 5316 O OD2 . ASP B 314 ? 0.8583 0.9679 0.8217 -0.0485 0.0190 -0.0372 381 ASP B OD2 5317 N N . GLY B 315 ? 0.5067 0.6129 0.4732 -0.0380 0.0135 -0.0265 382 GLY B N 5318 C CA . GLY B 315 ? 0.5213 0.6279 0.4866 -0.0373 0.0120 -0.0236 382 GLY B CA 5319 C C . GLY B 315 ? 0.5096 0.6151 0.4764 -0.0360 0.0126 -0.0246 382 GLY B C 5320 O O . GLY B 315 ? 0.5279 0.6337 0.4935 -0.0359 0.0116 -0.0225 382 GLY B O 5321 N N . TRP B 316 ? 0.4546 0.5587 0.4244 -0.0350 0.0142 -0.0276 383 TRP B N 5322 C CA . TRP B 316 ? 0.4718 0.5754 0.4432 -0.0342 0.0149 -0.0289 383 TRP B CA 5323 C C . TRP B 316 ? 0.4960 0.6021 0.4662 -0.0375 0.0168 -0.0316 383 TRP B C 5324 O O . TRP B 316 ? 0.5517 0.6583 0.5220 -0.0378 0.0170 -0.0317 383 TRP B O 5325 C CB . TRP B 316 ? 0.5144 0.6154 0.4901 -0.0313 0.0155 -0.0307 383 TRP B CB 5326 C CG . TRP B 316 ? 0.5796 0.6799 0.5572 -0.0299 0.0157 -0.0312 383 TRP B CG 5327 C CD1 . TRP B 316 ? 0.5848 0.6857 0.5647 -0.0304 0.0175 -0.0344 383 TRP B CD1 5328 C CD2 . TRP B 316 ? 0.5680 0.6672 0.5453 -0.0280 0.0141 -0.0285 383 TRP B CD2 5329 N NE1 . TRP B 316 ? 0.5408 0.6410 0.5220 -0.0289 0.0170 -0.0337 383 TRP B NE1 5330 C CE2 . TRP B 316 ? 0.5328 0.6319 0.5122 -0.0275 0.0149 -0.0301 383 TRP B CE2 5331 C CE3 . TRP B 316 ? 0.5419 0.6401 0.5175 -0.0266 0.0122 -0.0250 383 TRP B CE3 5332 C CZ2 . TRP B 316 ? 0.5862 0.6841 0.5657 -0.0259 0.0138 -0.0282 383 TRP B CZ2 5333 C CZ3 . TRP B 316 ? 0.5358 0.6327 0.5118 -0.0248 0.0111 -0.0232 383 TRP B CZ3 5334 C CH2 . TRP B 316 ? 0.5403 0.6370 0.5180 -0.0245 0.0119 -0.0248 383 TRP B CH2 5335 N N . THR B 317 ? 0.5955 0.7031 0.5649 -0.0401 0.0183 -0.0340 384 THR B N 5336 C CA . THR B 317 ? 0.5950 0.7049 0.5636 -0.0433 0.0205 -0.0373 384 THR B CA 5337 C C . THR B 317 ? 0.6107 0.7236 0.5746 -0.0477 0.0207 -0.0370 384 THR B C 5338 O O . THR B 317 ? 0.6344 0.7494 0.5969 -0.0505 0.0223 -0.0392 384 THR B O 5339 C CB . THR B 317 ? 0.6134 0.7227 0.5854 -0.0431 0.0228 -0.0416 384 THR B CB 5340 O OG1 . THR B 317 ? 0.6263 0.7347 0.5984 -0.0431 0.0227 -0.0420 384 THR B OG1 5341 C CG2 . THR B 317 ? 0.6767 0.7837 0.6535 -0.0394 0.0228 -0.0423 384 THR B CG2 5342 N N . THR B 318 ? 0.5691 0.6823 0.5305 -0.0482 0.0190 -0.0342 385 THR B N 5343 C CA . THR B 318 ? 0.5871 0.7031 0.5439 -0.0524 0.0187 -0.0334 385 THR B CA 5344 C C . THR B 318 ? 0.6260 0.7425 0.5802 -0.0523 0.0161 -0.0288 385 THR B C 5345 O O . THR B 318 ? 0.7316 0.8467 0.6865 -0.0499 0.0141 -0.0259 385 THR B O 5346 C CB . THR B 318 ? 0.6279 0.7443 0.5838 -0.0536 0.0187 -0.0340 385 THR B CB 5347 O OG1 . THR B 318 ? 0.6282 0.7438 0.5866 -0.0536 0.0211 -0.0382 385 THR B OG1 5348 C CG2 . THR B 318 ? 0.6355 0.7550 0.5865 -0.0581 0.0183 -0.0330 385 THR B CG2 5349 N N . ALA B 319 ? 0.6427 0.7611 0.5938 -0.0552 0.0161 -0.0282 386 ALA B N 5350 C CA . ALA B 319 ? 0.6172 0.7361 0.5658 -0.0556 0.0136 -0.0239 386 ALA B CA 5351 C C . ALA B 319 ? 0.5986 0.7182 0.5456 -0.0560 0.0116 -0.0211 386 ALA B C 5352 O O . ALA B 319 ? 0.6290 0.7504 0.5741 -0.0588 0.0122 -0.0223 386 ALA B O 5353 C CB . ALA B 319 ? 0.6288 0.7501 0.5736 -0.0597 0.0140 -0.0240 386 ALA B CB 5354 N N . ASN B 320 ? 0.6985 0.8167 0.6466 -0.0531 0.0093 -0.0176 387 ASN B N 5355 C CA . ASN B 320 ? 0.6622 0.7813 0.6090 -0.0534 0.0071 -0.0143 387 ASN B CA 5356 C C . ASN B 320 ? 0.5795 0.6984 0.5278 -0.0524 0.0072 -0.0150 387 ASN B C 5357 O O . ASN B 320 ? 0.5580 0.6784 0.5050 -0.0534 0.0056 -0.0127 387 ASN B O 5358 C CB . ASN B 320 ? 0.6723 0.7943 0.6145 -0.0580 0.0064 -0.0131 387 ASN B CB 5359 C CG . ASN B 320 ? 0.7775 0.8998 0.7185 -0.0577 0.0033 -0.0084 387 ASN B CG 5360 O OD1 . ASN B 320 ? 0.8804 1.0010 0.8228 -0.0552 0.0022 -0.0065 387 ASN B OD1 5361 N ND2 . ASN B 320 ? 0.8979 1.0226 0.8365 -0.0604 0.0018 -0.0066 387 ASN B ND2 5362 N N . SER B 321 ? 0.5638 0.6808 0.5151 -0.0502 0.0089 -0.0178 388 SER B N 5363 C CA . SER B 321 ? 0.6020 0.7186 0.5548 -0.0491 0.0089 -0.0181 388 SER B CA 5364 C C . SER B 321 ? 0.5966 0.7124 0.5507 -0.0463 0.0066 -0.0145 388 SER B C 5365 O O . SER B 321 ? 0.5103 0.6244 0.4659 -0.0434 0.0058 -0.0129 388 SER B O 5366 C CB . SER B 321 ? 0.6949 0.8091 0.6510 -0.0469 0.0107 -0.0213 388 SER B CB 5367 O OG . SER B 321 ? 0.8216 0.9361 0.7776 -0.0486 0.0129 -0.0248 388 SER B OG 5368 N N . LYS B 322 ? 0.5388 0.6560 0.4925 -0.0471 0.0057 -0.0134 389 LYS B N 5369 C CA . LYS B 322 ? 0.5477 0.6648 0.5027 -0.0447 0.0037 -0.0100 389 LYS B CA 5370 C C . LYS B 322 ? 0.5126 0.6290 0.4695 -0.0434 0.0041 -0.0109 389 LYS B C 5371 O O . LYS B 322 ? 0.4959 0.6131 0.4535 -0.0425 0.0027 -0.0085 389 LYS B O 5372 C CB . LYS B 322 ? 0.5691 0.6890 0.5216 -0.0470 0.0017 -0.0069 389 LYS B CB 5373 C CG . LYS B 322 ? 0.6095 0.7294 0.5607 -0.0473 0.0007 -0.0052 389 LYS B CG 5374 C CD . LYS B 322 ? 0.6083 0.7304 0.5577 -0.0488 -0.0017 -0.0014 389 LYS B CD 5375 C CE . LYS B 322 ? 0.6373 0.7591 0.5849 -0.0497 -0.0025 0.0000 389 LYS B CE 5376 N NZ . LYS B 322 ? 0.6727 0.7958 0.6198 -0.0499 -0.0054 0.0041 389 LYS B NZ 5377 N N . SER B 323 ? 0.5025 0.6173 0.4604 -0.0434 0.0061 -0.0142 390 SER B N 5378 C CA . SER B 323 ? 0.5330 0.6472 0.4922 -0.0431 0.0067 -0.0155 390 SER B CA 5379 C C . SER B 323 ? 0.5487 0.6599 0.5113 -0.0389 0.0066 -0.0150 390 SER B C 5380 O O . SER B 323 ? 0.5513 0.6601 0.5157 -0.0374 0.0079 -0.0174 390 SER B O 5381 C CB . SER B 323 ? 0.5760 0.6900 0.5344 -0.0456 0.0089 -0.0194 390 SER B CB 5382 O OG . SER B 323 ? 0.8390 0.9523 0.7985 -0.0456 0.0094 -0.0207 390 SER B OG 5383 N N . GLN B 324 ? 0.5578 0.6694 0.5213 -0.0369 0.0051 -0.0121 391 GLN B N 5384 C CA . GLN B 324 ? 0.6260 0.7348 0.5921 -0.0332 0.0050 -0.0117 391 GLN B CA 5385 C C . GLN B 324 ? 0.5679 0.6758 0.5353 -0.0327 0.0054 -0.0124 391 GLN B C 5386 O O . GLN B 324 ? 0.4938 0.6037 0.4604 -0.0346 0.0051 -0.0120 391 GLN B O 5387 C CB . GLN B 324 ? 0.6216 0.7303 0.5886 -0.0306 0.0035 -0.0085 391 GLN B CB 5388 C CG . GLN B 324 ? 0.6194 0.7304 0.5865 -0.0306 0.0020 -0.0057 391 GLN B CG 5389 C CD . GLN B 324 ? 0.6494 0.7592 0.6184 -0.0271 0.0011 -0.0036 391 GLN B CD 5390 O OE1 . GLN B 324 ? 0.5813 0.6903 0.5519 -0.0254 0.0012 -0.0034 391 GLN B OE1 5391 N NE2 . GLN B 324 ? 0.6040 0.7137 0.5728 -0.0262 0.0002 -0.0020 391 GLN B NE2 5392 N N . VAL B 325 ? 0.4914 0.5963 0.4610 -0.0300 0.0060 -0.0132 392 VAL B N 5393 C CA . VAL B 325 ? 0.5195 0.6229 0.4904 -0.0292 0.0063 -0.0137 392 VAL B CA 5394 C C . VAL B 325 ? 0.5143 0.6150 0.4872 -0.0256 0.0060 -0.0128 392 VAL B C 5395 O O . VAL B 325 ? 0.4914 0.5910 0.4647 -0.0240 0.0059 -0.0125 392 VAL B O 5396 C CB . VAL B 325 ? 0.5527 0.6550 0.5237 -0.0310 0.0077 -0.0169 392 VAL B CB 5397 C CG1 . VAL B 325 ? 0.5651 0.6649 0.5374 -0.0298 0.0088 -0.0192 392 VAL B CG1 5398 C CG2 . VAL B 325 ? 0.6553 0.7561 0.6274 -0.0305 0.0078 -0.0171 392 VAL B CG2 5399 N N . ASN B 326 ? 0.5388 0.6386 0.5126 -0.0246 0.0058 -0.0121 393 ASN B N 5400 C CA . ASN B 326 ? 0.4946 0.5918 0.4700 -0.0215 0.0055 -0.0113 393 ASN B CA 5401 C C . ASN B 326 ? 0.4574 0.5550 0.4329 -0.0195 0.0046 -0.0090 393 ASN B C 5402 O O . ASN B 326 ? 0.3960 0.4912 0.3722 -0.0173 0.0046 -0.0090 393 ASN B O 5403 C CB . ASN B 326 ? 0.4994 0.5932 0.4759 -0.0206 0.0063 -0.0135 393 ASN B CB 5404 C CG . ASN B 326 ? 0.5098 0.6024 0.4870 -0.0220 0.0072 -0.0158 393 ASN B CG 5405 O OD1 . ASN B 326 ? 0.4624 0.5532 0.4404 -0.0220 0.0080 -0.0180 393 ASN B OD1 5406 N ND2 . ASN B 326 ? 0.5201 0.6135 0.4968 -0.0232 0.0071 -0.0153 393 ASN B ND2 5407 N N . ARG B 327 ? 0.4597 0.5602 0.4345 -0.0202 0.0038 -0.0071 394 ARG B N 5408 C CA . ARG B 327 ? 0.4742 0.5751 0.4494 -0.0181 0.0029 -0.0049 394 ARG B CA 5409 C C . ARG B 327 ? 0.4483 0.5477 0.4248 -0.0158 0.0029 -0.0041 394 ARG B C 5410 O O . ARG B 327 ? 0.4334 0.5332 0.4103 -0.0162 0.0031 -0.0041 394 ARG B O 5411 C CB . ARG B 327 ? 0.4633 0.5678 0.4380 -0.0193 0.0019 -0.0029 394 ARG B CB 5412 C CG . ARG B 327 ? 0.4913 0.5963 0.4668 -0.0172 0.0009 -0.0006 394 ARG B CG 5413 C CD . ARG B 327 ? 0.5095 0.6181 0.4847 -0.0186 -0.0002 0.0012 394 ARG B CD 5414 N NE . ARG B 327 ? 0.5335 0.6423 0.5096 -0.0166 -0.0012 0.0033 394 ARG B NE 5415 C CZ . ARG B 327 ? 0.5692 0.6799 0.5470 -0.0154 -0.0020 0.0053 394 ARG B CZ 5416 N NH1 . ARG B 327 ? 0.6271 0.7400 0.6058 -0.0161 -0.0019 0.0057 394 ARG B NH1 5417 N NH2 . ARG B 327 ? 0.5150 0.6256 0.4937 -0.0136 -0.0029 0.0070 394 ARG B NH2 5418 N N . GLN B 328 ? 0.4121 0.5101 0.3890 -0.0135 0.0026 -0.0032 395 GLN B N 5419 C CA . GLN B 328 ? 0.4536 0.5507 0.4314 -0.0112 0.0025 -0.0020 395 GLN B CA 5420 C C . GLN B 328 ? 0.4464 0.5442 0.4246 -0.0095 0.0018 -0.0003 395 GLN B C 5421 O O . GLN B 328 ? 0.5309 0.6278 0.5087 -0.0092 0.0015 -0.0003 395 GLN B O 5422 C CB . GLN B 328 ? 0.4811 0.5745 0.4592 -0.0098 0.0030 -0.0032 395 GLN B CB 5423 C CG . GLN B 328 ? 0.4556 0.5475 0.4336 -0.0110 0.0036 -0.0050 395 GLN B CG 5424 C CD . GLN B 328 ? 0.4616 0.5498 0.4401 -0.0096 0.0039 -0.0060 395 GLN B CD 5425 O OE1 . GLN B 328 ? 0.4989 0.5856 0.4777 -0.0099 0.0041 -0.0075 395 GLN B OE1 5426 N NE2 . GLN B 328 ? 0.4339 0.5208 0.4125 -0.0082 0.0038 -0.0051 395 GLN B NE2 5427 N N . ILE B 329 ? 0.4828 0.5822 0.4620 -0.0086 0.0015 0.0011 396 ILE B N 5428 C CA . ILE B 329 ? 0.4818 0.5813 0.4618 -0.0065 0.0010 0.0026 396 ILE B CA 5429 C C . ILE B 329 ? 0.4755 0.5716 0.4554 -0.0043 0.0016 0.0020 396 ILE B C 5430 O O . ILE B 329 ? 0.4248 0.5201 0.4048 -0.0041 0.0022 0.0015 396 ILE B O 5431 C CB . ILE B 329 ? 0.4541 0.5568 0.4356 -0.0062 0.0007 0.0042 396 ILE B CB 5432 C CG1 . ILE B 329 ? 0.4730 0.5789 0.4544 -0.0083 -0.0002 0.0051 396 ILE B CG1 5433 C CG2 . ILE B 329 ? 0.4495 0.5517 0.4322 -0.0037 0.0004 0.0054 396 ILE B CG2 5434 C CD1 . ILE B 329 ? 0.4624 0.5719 0.4457 -0.0082 -0.0008 0.0069 396 ILE B CD1 5435 N N . ILE B 330 ? 0.4397 0.5339 0.4193 -0.0031 0.0013 0.0021 397 ILE B N 5436 C CA . ILE B 330 ? 0.4525 0.5437 0.4319 -0.0011 0.0017 0.0017 397 ILE B CA 5437 C C . ILE B 330 ? 0.4402 0.5319 0.4206 0.0008 0.0015 0.0029 397 ILE B C 5438 O O . ILE B 330 ? 0.4654 0.5561 0.4458 0.0020 0.0022 0.0029 397 ILE B O 5439 C CB . ILE B 330 ? 0.4870 0.5756 0.4655 -0.0009 0.0015 0.0008 397 ILE B CB 5440 C CG1 . ILE B 330 ? 0.5276 0.6162 0.5057 -0.0028 0.0017 -0.0006 397 ILE B CG1 5441 C CG2 . ILE B 330 ? 0.4798 0.5654 0.4580 0.0007 0.0018 0.0003 397 ILE B CG2 5442 C CD1 . ILE B 330 ? 0.5285 0.6158 0.5066 -0.0033 0.0023 -0.0017 397 ILE B CD1 5443 N N . VAL B 331 ? 0.4771 0.5703 0.4582 0.0010 0.0008 0.0041 398 VAL B N 5444 C CA . VAL B 331 ? 0.4494 0.5434 0.4319 0.0028 0.0005 0.0054 398 VAL B CA 5445 C C . VAL B 331 ? 0.4864 0.5841 0.4703 0.0019 -0.0003 0.0069 398 VAL B C 5446 O O . VAL B 331 ? 0.4920 0.5904 0.4753 0.0005 -0.0011 0.0074 398 VAL B O 5447 C CB . VAL B 331 ? 0.4590 0.5504 0.4410 0.0041 0.0001 0.0056 398 VAL B CB 5448 C CG1 . VAL B 331 ? 0.4787 0.5708 0.4626 0.0061 -0.0001 0.0068 398 VAL B CG1 5449 C CG2 . VAL B 331 ? 0.4978 0.5857 0.4784 0.0048 0.0007 0.0042 398 VAL B CG2 5450 N N . ASP B 332 ? 0.4376 0.5378 0.4235 0.0026 -0.0001 0.0078 399 ASP B N 5451 C CA . ASP B 332 ? 0.4725 0.5765 0.4600 0.0017 -0.0011 0.0093 399 ASP B CA 5452 C C . ASP B 332 ? 0.4801 0.5840 0.4686 0.0027 -0.0023 0.0108 399 ASP B C 5453 O O . ASP B 332 ? 0.4546 0.5558 0.4430 0.0045 -0.0022 0.0106 399 ASP B O 5454 C CB . ASP B 332 ? 0.5129 0.6198 0.5026 0.0023 -0.0005 0.0098 399 ASP B CB 5455 C CG . ASP B 332 ? 0.6102 0.7164 0.6017 0.0050 0.0000 0.0099 399 ASP B CG 5456 O OD1 . ASP B 332 ? 0.7054 0.8104 0.6965 0.0058 0.0014 0.0088 399 ASP B OD1 5457 O OD2 . ASP B 332 ? 0.6565 0.7630 0.6497 0.0063 -0.0008 0.0111 399 ASP B OD2 5458 N N . ASN B 333 ? 0.5115 0.6185 0.5009 0.0014 -0.0036 0.0123 400 ASN B N 5459 C CA . ASN B 333 ? 0.4716 0.5787 0.4618 0.0018 -0.0052 0.0140 400 ASN B CA 5460 C C . ASN B 333 ? 0.4706 0.5782 0.4639 0.0044 -0.0056 0.0152 400 ASN B C 5461 O O . ASN B 333 ? 0.5184 0.6260 0.5128 0.0049 -0.0071 0.0169 400 ASN B O 5462 C CB . ASN B 333 ? 0.5155 0.6253 0.5050 -0.0008 -0.0066 0.0153 400 ASN B CB 5463 C CG . ASN B 333 ? 0.6511 0.7598 0.6399 -0.0011 -0.0082 0.0167 400 ASN B CG 5464 O OD1 . ASN B 333 ? 0.5960 0.7014 0.5837 -0.0002 -0.0080 0.0161 400 ASN B OD1 5465 N ND2 . ASN B 333 ? 0.6091 0.7207 0.5987 -0.0025 -0.0099 0.0187 400 ASN B ND2 5466 N N . ASN B 334 ? 0.4724 0.5806 0.4675 0.0061 -0.0043 0.0146 401 ASN B N 5467 C CA . ASN B 334 ? 0.4962 0.6042 0.4943 0.0089 -0.0043 0.0152 401 ASN B CA 5468 C C . ASN B 334 ? 0.4979 0.6016 0.4948 0.0107 -0.0033 0.0138 401 ASN B C 5469 O O . ASN B 334 ? 0.4966 0.5999 0.4958 0.0130 -0.0028 0.0138 401 ASN B O 5470 C CB . ASN B 334 ? 0.5977 0.7089 0.5985 0.0096 -0.0033 0.0150 401 ASN B CB 5471 C CG . ASN B 334 ? 0.6911 0.8069 0.6939 0.0081 -0.0045 0.0166 401 ASN B CG 5472 O OD1 . ASN B 334 ? 0.7015 0.8185 0.7052 0.0076 -0.0063 0.0184 401 ASN B OD1 5473 N ND2 . ASN B 334 ? 0.7707 0.8891 0.7739 0.0072 -0.0035 0.0160 401 ASN B ND2 5474 N N . ASN B 335 ? 0.4511 0.5518 0.4447 0.0097 -0.0029 0.0126 402 ASN B N 5475 C CA . ASN B 335 ? 0.4580 0.5546 0.4501 0.0111 -0.0021 0.0113 402 ASN B CA 5476 C C . ASN B 335 ? 0.4507 0.5445 0.4404 0.0103 -0.0029 0.0112 402 ASN B C 5477 O O . ASN B 335 ? 0.4722 0.5668 0.4605 0.0081 -0.0036 0.0116 402 ASN B O 5478 C CB . ASN B 335 ? 0.4823 0.5780 0.4728 0.0109 -0.0004 0.0095 402 ASN B CB 5479 C CG . ASN B 335 ? 0.5013 0.5991 0.4939 0.0121 0.0006 0.0093 402 ASN B CG 5480 O OD1 . ASN B 335 ? 0.5236 0.6202 0.5172 0.0140 0.0013 0.0089 402 ASN B OD1 5481 N ND2 . ASN B 335 ? 0.5169 0.6179 0.5102 0.0108 0.0008 0.0096 402 ASN B ND2 5482 N N . TRP B 336 ? 0.5079 0.5983 0.4971 0.0119 -0.0027 0.0107 403 TRP B N 5483 C CA . TRP B 336 ? 0.5234 0.6110 0.5108 0.0113 -0.0035 0.0108 403 TRP B CA 5484 C C . TRP B 336 ? 0.5307 0.6166 0.5153 0.0101 -0.0027 0.0092 403 TRP B C 5485 O O . TRP B 336 ? 0.5415 0.6266 0.5256 0.0106 -0.0015 0.0078 403 TRP B O 5486 C CB . TRP B 336 ? 0.5326 0.6172 0.5206 0.0135 -0.0036 0.0109 403 TRP B CB 5487 C CG . TRP B 336 ? 0.5504 0.6365 0.5415 0.0149 -0.0045 0.0125 403 TRP B CG 5488 C CD1 . TRP B 336 ? 0.5708 0.6574 0.5645 0.0171 -0.0038 0.0123 403 TRP B CD1 5489 C CD2 . TRP B 336 ? 0.4880 0.5756 0.4803 0.0141 -0.0064 0.0146 403 TRP B CD2 5490 N NE1 . TRP B 336 ? 0.5670 0.6553 0.5638 0.0179 -0.0051 0.0142 403 TRP B NE1 5491 C CE2 . TRP B 336 ? 0.4928 0.5818 0.4887 0.0161 -0.0068 0.0157 403 TRP B CE2 5492 C CE3 . TRP B 336 ? 0.5129 0.6011 0.5035 0.0118 -0.0077 0.0157 403 TRP B CE3 5493 C CZ2 . TRP B 336 ? 0.5281 0.6188 0.5262 0.0159 -0.0087 0.0181 403 TRP B CZ2 5494 C CZ3 . TRP B 336 ? 0.5359 0.6258 0.5281 0.0113 -0.0096 0.0180 403 TRP B CZ3 5495 C CH2 . TRP B 336 ? 0.5407 0.6317 0.5367 0.0135 -0.0102 0.0193 403 TRP B CH2 5496 N N . SER B 337 ? 0.4869 0.5722 0.4699 0.0084 -0.0035 0.0093 404 SER B N 5497 C CA . SER B 337 ? 0.4841 0.5675 0.4649 0.0073 -0.0028 0.0077 404 SER B CA 5498 C C . SER B 337 ? 0.4434 0.5237 0.4230 0.0077 -0.0034 0.0077 404 SER B C 5499 O O . SER B 337 ? 0.4764 0.5548 0.4567 0.0095 -0.0035 0.0080 404 SER B O 5500 C CB . SER B 337 ? 0.4500 0.5356 0.4300 0.0048 -0.0029 0.0073 404 SER B CB 5501 O OG . SER B 337 ? 0.4671 0.5544 0.4469 0.0033 -0.0040 0.0086 404 SER B OG 5502 N N . GLY B 338 ? 0.4491 0.5290 0.4272 0.0059 -0.0037 0.0072 405 GLY B N 5503 C CA . GLY B 338 ? 0.4650 0.5420 0.4419 0.0059 -0.0040 0.0069 405 GLY B CA 5504 C C . GLY B 338 ? 0.4502 0.5273 0.4257 0.0040 -0.0037 0.0056 405 GLY B C 5505 O O . GLY B 338 ? 0.5294 0.6088 0.5047 0.0022 -0.0035 0.0053 405 GLY B O 5506 N N . TYR B 339 ? 0.4533 0.5277 0.4278 0.0043 -0.0035 0.0046 406 TYR B N 5507 C CA . TYR B 339 ? 0.3972 0.4716 0.3709 0.0027 -0.0031 0.0032 406 TYR B CA 5508 C C . TYR B 339 ? 0.3963 0.4716 0.3704 0.0025 -0.0022 0.0018 406 TYR B C 5509 O O . TYR B 339 ? 0.4045 0.4794 0.3792 0.0038 -0.0018 0.0018 406 TYR B O 5510 C CB . TYR B 339 ? 0.4133 0.4847 0.3863 0.0034 -0.0032 0.0025 406 TYR B CB 5511 C CG . TYR B 339 ? 0.4293 0.4996 0.4015 0.0028 -0.0041 0.0035 406 TYR B CG 5512 C CD1 . TYR B 339 ? 0.4220 0.4935 0.3942 0.0022 -0.0050 0.0053 406 TYR B CD1 5513 C CD2 . TYR B 339 ? 0.4421 0.5101 0.4136 0.0028 -0.0041 0.0027 406 TYR B CD2 5514 C CE1 . TYR B 339 ? 0.4535 0.5237 0.4249 0.0016 -0.0059 0.0063 406 TYR B CE1 5515 C CE2 . TYR B 339 ? 0.4312 0.4980 0.4018 0.0022 -0.0050 0.0036 406 TYR B CE2 5516 C CZ . TYR B 339 ? 0.4377 0.5055 0.4082 0.0016 -0.0058 0.0054 406 TYR B CZ 5517 O OH . TYR B 339 ? 0.5002 0.5666 0.4697 0.0007 -0.0068 0.0064 406 TYR B OH 5518 N N . SER B 340 ? 0.3969 0.4733 0.3709 0.0007 -0.0017 0.0006 407 SER B N 5519 C CA . SER B 340 ? 0.4246 0.5011 0.3992 0.0006 -0.0009 -0.0008 407 SER B CA 5520 C C . SER B 340 ? 0.4315 0.5075 0.4061 -0.0004 -0.0006 -0.0023 407 SER B C 5521 O O . SER B 340 ? 0.4197 0.4961 0.3937 -0.0016 -0.0008 -0.0023 407 SER B O 5522 C CB . SER B 340 ? 0.4331 0.5123 0.4081 -0.0005 -0.0006 -0.0008 407 SER B CB 5523 O OG . SER B 340 ? 0.4656 0.5469 0.4400 -0.0025 -0.0008 -0.0005 407 SER B OG 5524 N N . GLY B 341 ? 0.4208 0.4958 0.3961 0.0000 -0.0001 -0.0037 408 GLY B N 5525 C CA . GLY B 341 ? 0.4285 0.5033 0.4046 -0.0008 0.0002 -0.0054 408 GLY B CA 5526 C C . GLY B 341 ? 0.4744 0.5488 0.4518 -0.0007 0.0007 -0.0068 408 GLY B C 5527 O O . GLY B 341 ? 0.4650 0.5388 0.4424 0.0001 0.0007 -0.0064 408 GLY B O 5528 N N . ILE B 342 ? 0.4351 0.5096 0.4136 -0.0015 0.0011 -0.0084 409 ILE B N 5529 C CA . ILE B 342 ? 0.3997 0.4738 0.3799 -0.0015 0.0015 -0.0099 409 ILE B CA 5530 C C . ILE B 342 ? 0.4094 0.4810 0.3907 -0.0002 0.0010 -0.0104 409 ILE B C 5531 O O . ILE B 342 ? 0.3855 0.4562 0.3665 0.0001 0.0005 -0.0101 409 ILE B O 5532 C CB . ILE B 342 ? 0.4403 0.5165 0.4215 -0.0034 0.0024 -0.0117 409 ILE B CB 5533 C CG1 . ILE B 342 ? 0.4705 0.5466 0.4535 -0.0037 0.0030 -0.0132 409 ILE B CG1 5534 C CG2 . ILE B 342 ? 0.4178 0.4940 0.3999 -0.0039 0.0025 -0.0127 409 ILE B CG2 5535 C CD1 . ILE B 342 ? 0.4486 0.5270 0.4324 -0.0057 0.0041 -0.0150 409 ILE B CD1 5536 N N . PHE B 343 ? 0.3608 0.4312 0.3432 0.0003 0.0009 -0.0109 410 PHE B N 5537 C CA . PHE B 343 ? 0.3932 0.4618 0.3772 0.0012 0.0004 -0.0116 410 PHE B CA 5538 C C . PHE B 343 ? 0.3982 0.4666 0.3844 0.0009 0.0007 -0.0129 410 PHE B C 5539 O O . PHE B 343 ? 0.4190 0.4884 0.4049 0.0002 0.0012 -0.0130 410 PHE B O 5540 C CB . PHE B 343 ? 0.3944 0.4604 0.3770 0.0027 -0.0005 -0.0102 410 PHE B CB 5541 C CG . PHE B 343 ? 0.3931 0.4584 0.3746 0.0033 -0.0006 -0.0092 410 PHE B CG 5542 C CD1 . PHE B 343 ? 0.4240 0.4874 0.4063 0.0038 -0.0012 -0.0093 410 PHE B CD1 5543 C CD2 . PHE B 343 ? 0.4035 0.4700 0.3834 0.0031 -0.0002 -0.0082 410 PHE B CD2 5544 C CE1 . PHE B 343 ? 0.4070 0.4696 0.3879 0.0041 -0.0013 -0.0083 410 PHE B CE1 5545 C CE2 . PHE B 343 ? 0.4106 0.4765 0.3895 0.0036 -0.0002 -0.0073 410 PHE B CE2 5546 C CZ . PHE B 343 ? 0.4242 0.4882 0.4035 0.0040 -0.0007 -0.0074 410 PHE B CZ 5547 N N . SER B 344 ? 0.3798 0.4470 0.3683 0.0014 0.0002 -0.0139 411 SER B N 5548 C CA . SER B 344 ? 0.4041 0.4711 0.3953 0.0011 0.0005 -0.0154 411 SER B CA 5549 C C . SER B 344 ? 0.4184 0.4827 0.4107 0.0024 -0.0006 -0.0148 411 SER B C 5550 O O . SER B 344 ? 0.4020 0.4649 0.3937 0.0033 -0.0016 -0.0140 411 SER B O 5551 C CB . SER B 344 ? 0.4567 0.5254 0.4507 0.0003 0.0013 -0.0176 411 SER B CB 5552 O OG . SER B 344 ? 0.4612 0.5325 0.4538 -0.0011 0.0024 -0.0180 411 SER B OG 5553 N N . VAL B 345 ? 0.4643 0.5278 0.4579 0.0023 -0.0007 -0.0153 412 VAL B N 5554 C CA . VAL B 345 ? 0.4751 0.5358 0.4695 0.0033 -0.0020 -0.0145 412 VAL B CA 5555 C C . VAL B 345 ? 0.4866 0.5465 0.4848 0.0033 -0.0021 -0.0161 412 VAL B C 5556 O O . VAL B 345 ? 0.5327 0.5937 0.5318 0.0024 -0.0011 -0.0173 412 VAL B O 5557 C CB . VAL B 345 ? 0.5042 0.5639 0.4957 0.0033 -0.0023 -0.0128 412 VAL B CB 5558 C CG1 . VAL B 345 ? 0.5510 0.6078 0.5429 0.0040 -0.0037 -0.0119 412 VAL B CG1 5559 C CG2 . VAL B 345 ? 0.4972 0.5573 0.4855 0.0036 -0.0023 -0.0113 412 VAL B CG2 5560 N N . GLU B 346 ? 0.5864 0.6447 0.5871 0.0042 -0.0034 -0.0161 413 GLU B N 5561 C CA . GLU B 346 ? 0.5879 0.6454 0.5929 0.0044 -0.0036 -0.0177 413 GLU B CA 5562 C C . GLU B 346 ? 0.5781 0.6329 0.5831 0.0046 -0.0047 -0.0166 413 GLU B C 5563 O O . GLU B 346 ? 0.6208 0.6735 0.6244 0.0053 -0.0062 -0.0147 413 GLU B O 5564 C CB . GLU B 346 ? 0.6067 0.6638 0.6150 0.0054 -0.0047 -0.0182 413 GLU B CB 5565 C CG . GLU B 346 ? 0.7871 0.8440 0.8007 0.0057 -0.0046 -0.0202 413 GLU B CG 5566 C CD . GLU B 346 ? 0.8825 0.9404 0.9002 0.0063 -0.0049 -0.0215 413 GLU B CD 5567 O OE1 . GLU B 346 ? 1.0314 1.0904 1.0477 0.0064 -0.0051 -0.0209 413 GLU B OE1 5568 O OE2 . GLU B 346 ? 0.8790 0.9368 0.9015 0.0067 -0.0049 -0.0232 413 GLU B OE2 5569 N N . GLY B 347 ? 0.5784 0.6333 0.5845 0.0039 -0.0038 -0.0177 414 GLY B N 5570 C CA . GLY B 347 ? 0.5567 0.6088 0.5631 0.0040 -0.0049 -0.0168 414 GLY B CA 5571 C C . GLY B 347 ? 0.6395 0.6900 0.6510 0.0047 -0.0057 -0.0181 414 GLY B C 5572 O O . GLY B 347 ? 0.5475 0.5991 0.5620 0.0053 -0.0056 -0.0195 414 GLY B O 5573 N N . LYS B 348 ? 0.7132 0.7610 0.7258 0.0047 -0.0067 -0.0176 415 LYS B N 5574 C CA . LYS B 348 ? 0.7652 0.8111 0.7830 0.0056 -0.0078 -0.0187 415 LYS B CA 5575 C C . LYS B 348 ? 0.7459 0.7937 0.7677 0.0053 -0.0059 -0.0220 415 LYS B C 5576 O O . LYS B 348 ? 0.7151 0.7631 0.7416 0.0062 -0.0061 -0.0235 415 LYS B O 5577 C CB . LYS B 348 ? 0.9332 0.9757 0.9506 0.0053 -0.0091 -0.0173 415 LYS B CB 5578 C CG . LYS B 348 ? 1.2181 1.2577 1.2405 0.0063 -0.0109 -0.0175 415 LYS B CG 5579 C CD . LYS B 348 ? 1.3349 1.3719 1.3577 0.0055 -0.0110 -0.0174 415 LYS B CD 5580 C CE . LYS B 348 ? 1.3386 1.3736 1.3677 0.0064 -0.0116 -0.0193 415 LYS B CE 5581 N NZ . LYS B 348 ? 1.2553 1.2863 1.2862 0.0072 -0.0146 -0.0171 415 LYS B NZ 5582 N N A SER B 349 ? 0.6922 0.7415 0.7120 0.0040 -0.0040 -0.0231 416 SER B N 5583 N N B SER B 349 ? 0.7045 0.7539 0.7243 0.0040 -0.0040 -0.0231 416 SER B N 5584 C CA A SER B 349 ? 0.7339 0.7850 0.7568 0.0034 -0.0020 -0.0263 416 SER B CA 5585 C CA B SER B 349 ? 0.7146 0.7657 0.7375 0.0034 -0.0020 -0.0264 416 SER B CA 5586 C C A SER B 349 ? 0.6930 0.7480 0.7136 0.0022 0.0000 -0.0276 416 SER B C 5587 C C B SER B 349 ? 0.6832 0.7382 0.7038 0.0022 0.0000 -0.0277 416 SER B C 5588 O O A SER B 349 ? 0.7013 0.7581 0.7245 0.0016 0.0017 -0.0305 416 SER B O 5589 O O B SER B 349 ? 0.6845 0.7414 0.7077 0.0016 0.0017 -0.0305 416 SER B O 5590 C CB A SER B 349 ? 0.7885 0.8378 0.8118 0.0025 -0.0016 -0.0271 416 SER B CB 5591 C CB B SER B 349 ? 0.7422 0.7914 0.7655 0.0025 -0.0016 -0.0271 416 SER B CB 5592 O OG A SER B 349 ? 0.7496 0.7989 0.7678 0.0014 -0.0015 -0.0252 416 SER B OG 5593 O OG B SER B 349 ? 0.7271 0.7725 0.7529 0.0035 -0.0037 -0.0259 416 SER B OG 5594 N N . CYS B 350 ? 0.6327 0.6889 0.6487 0.0018 0.0000 -0.0257 417 CYS B N 5595 C CA . CYS B 350 ? 0.6575 0.7172 0.6712 0.0006 0.0017 -0.0265 417 CYS B CA 5596 C C . CYS B 350 ? 0.5656 0.6263 0.5758 0.0009 0.0012 -0.0244 417 CYS B C 5597 O O . CYS B 350 ? 0.5984 0.6572 0.6069 0.0018 -0.0003 -0.0221 417 CYS B O 5598 C CB . CYS B 350 ? 0.6721 0.7329 0.6837 -0.0011 0.0031 -0.0273 417 CYS B CB 5599 S SG . CYS B 350 ? 0.7692 0.8284 0.7765 -0.0014 0.0022 -0.0244 417 CYS B SG 5600 N N . ILE B 351 ? 0.5295 0.5932 0.5382 0.0000 0.0025 -0.0252 418 ILE B N 5601 C CA . ILE B 351 ? 0.5294 0.5943 0.5349 0.0000 0.0022 -0.0235 418 ILE B CA 5602 C C . ILE B 351 ? 0.5391 0.6052 0.5405 -0.0010 0.0028 -0.0223 418 ILE B C 5603 O O . ILE B 351 ? 0.5310 0.5993 0.5319 -0.0026 0.0042 -0.0236 418 ILE B O 5604 C CB . ILE B 351 ? 0.5314 0.5989 0.5378 -0.0004 0.0032 -0.0249 418 ILE B CB 5605 C CG1 . ILE B 351 ? 0.5357 0.6027 0.5468 0.0004 0.0030 -0.0266 418 ILE B CG1 5606 C CG2 . ILE B 351 ? 0.5877 0.6558 0.5908 -0.0003 0.0027 -0.0230 418 ILE B CG2 5607 C CD1 . ILE B 351 ? 0.5780 0.6422 0.5901 0.0022 0.0009 -0.0249 418 ILE B CD1 5608 N N . ASN B 352 ? 0.4624 0.5274 0.4610 -0.0003 0.0018 -0.0198 419 ASN B N 5609 C CA . ASN B 352 ? 0.4656 0.5318 0.4608 -0.0011 0.0022 -0.0185 419 ASN B CA 5610 C C . ASN B 352 ? 0.4691 0.5371 0.4620 -0.0012 0.0024 -0.0176 419 ASN B C 5611 O O . ASN B 352 ? 0.4445 0.5122 0.4379 -0.0004 0.0019 -0.0174 419 ASN B O 5612 C CB . ASN B 352 ? 0.4462 0.5103 0.4398 -0.0005 0.0012 -0.0165 419 ASN B CB 5613 C CG . ASN B 352 ? 0.5141 0.5795 0.5050 -0.0015 0.0017 -0.0155 419 ASN B CG 5614 O OD1 . ASN B 352 ? 0.4978 0.5655 0.4884 -0.0028 0.0028 -0.0165 419 ASN B OD1 5615 N ND2 . ASN B 352 ? 0.5215 0.5858 0.5106 -0.0009 0.0010 -0.0136 419 ASN B ND2 5616 N N . ARG B 353 ? 0.4629 0.5331 0.4536 -0.0024 0.0031 -0.0171 420 ARG B N 5617 C CA . ARG B 353 ? 0.4642 0.5360 0.4527 -0.0026 0.0032 -0.0160 420 ARG B CA 5618 C C . ARG B 353 ? 0.4357 0.5072 0.4218 -0.0020 0.0026 -0.0138 420 ARG B C 5619 O O . ARG B 353 ? 0.4488 0.5206 0.4343 -0.0025 0.0029 -0.0135 420 ARG B O 5620 C CB . ARG B 353 ? 0.4811 0.5558 0.4690 -0.0045 0.0043 -0.0171 420 ARG B CB 5621 C CG . ARG B 353 ? 0.4699 0.5455 0.4602 -0.0055 0.0053 -0.0196 420 ARG B CG 5622 C CD . ARG B 353 ? 0.5150 0.5899 0.5069 -0.0046 0.0050 -0.0202 420 ARG B CD 5623 N NE . ARG B 353 ? 0.4758 0.5519 0.4703 -0.0056 0.0061 -0.0229 420 ARG B NE 5624 C CZ . ARG B 353 ? 0.4653 0.5412 0.4623 -0.0051 0.0062 -0.0241 420 ARG B CZ 5625 N NH1 . ARG B 353 ? 0.4444 0.5189 0.4416 -0.0036 0.0050 -0.0229 420 ARG B NH1 5626 N NH2 . ARG B 353 ? 0.4570 0.5344 0.4563 -0.0062 0.0075 -0.0267 420 ARG B NH2 5627 N N . CYS B 354 ? 0.4269 0.4979 0.4115 -0.0010 0.0020 -0.0124 421 CYS B N 5628 C CA . CYS B 354 ? 0.4098 0.4807 0.3924 -0.0002 0.0017 -0.0105 421 CYS B CA 5629 C C . CYS B 354 ? 0.4242 0.4964 0.4053 -0.0002 0.0016 -0.0095 421 CYS B C 5630 O O . CYS B 354 ? 0.4142 0.4869 0.3957 -0.0007 0.0017 -0.0102 421 CYS B O 5631 C CB . CYS B 354 ? 0.4623 0.5304 0.4446 0.0012 0.0008 -0.0097 421 CYS B CB 5632 S SG . CYS B 354 ? 0.4634 0.5293 0.4473 0.0013 0.0004 -0.0103 421 CYS B SG 5633 N N . PHE B 355 ? 0.3818 0.4546 0.3614 0.0001 0.0015 -0.0080 422 PHE B N 5634 C CA . PHE B 355 ? 0.3603 0.4339 0.3388 0.0004 0.0013 -0.0069 422 PHE B CA 5635 C C . PHE B 355 ? 0.3836 0.4564 0.3610 0.0018 0.0010 -0.0054 422 PHE B C 5636 O O . PHE B 355 ? 0.3464 0.4187 0.3236 0.0022 0.0011 -0.0050 422 PHE B O 5637 C CB . PHE B 355 ? 0.4038 0.4804 0.3820 -0.0011 0.0016 -0.0067 422 PHE B CB 5638 C CG . PHE B 355 ? 0.3810 0.4591 0.3589 -0.0015 0.0018 -0.0060 422 PHE B CG 5639 C CD1 . PHE B 355 ? 0.4369 0.5156 0.4155 -0.0026 0.0023 -0.0070 422 PHE B CD1 5640 C CD2 . PHE B 355 ? 0.4382 0.5174 0.4155 -0.0009 0.0015 -0.0043 422 PHE B CD2 5641 C CE1 . PHE B 355 ? 0.4856 0.5659 0.4639 -0.0031 0.0025 -0.0063 422 PHE B CE1 5642 C CE2 . PHE B 355 ? 0.4963 0.5773 0.4736 -0.0013 0.0017 -0.0036 422 PHE B CE2 5643 C CZ . PHE B 355 ? 0.4186 0.5003 0.3964 -0.0025 0.0022 -0.0045 422 PHE B CZ 5644 N N . TYR B 356 ? 0.3868 0.4593 0.3635 0.0025 0.0006 -0.0046 423 TYR B N 5645 C CA . TYR B 356 ? 0.4180 0.4898 0.3937 0.0039 0.0004 -0.0033 423 TYR B CA 5646 C C . TYR B 356 ? 0.4166 0.4905 0.3923 0.0036 0.0003 -0.0022 423 TYR B C 5647 O O . TYR B 356 ? 0.4035 0.4784 0.3792 0.0024 0.0001 -0.0023 423 TYR B O 5648 C CB . TYR B 356 ? 0.3852 0.4542 0.3602 0.0051 0.0000 -0.0034 423 TYR B CB 5649 C CG . TYR B 356 ? 0.3995 0.4683 0.3745 0.0047 -0.0003 -0.0035 423 TYR B CG 5650 C CD1 . TYR B 356 ? 0.4140 0.4825 0.3896 0.0039 -0.0004 -0.0046 423 TYR B CD1 5651 C CD2 . TYR B 356 ? 0.4388 0.5079 0.4132 0.0051 -0.0006 -0.0024 423 TYR B CD2 5652 C CE1 . TYR B 356 ? 0.4252 0.4938 0.4007 0.0033 -0.0006 -0.0047 423 TYR B CE1 5653 C CE2 . TYR B 356 ? 0.5084 0.5773 0.4826 0.0045 -0.0010 -0.0023 423 TYR B CE2 5654 C CZ . TYR B 356 ? 0.4653 0.5341 0.4399 0.0035 -0.0009 -0.0035 423 TYR B CZ 5655 O OH . TYR B 356 ? 0.5236 0.5924 0.4978 0.0027 -0.0013 -0.0034 423 TYR B OH 5656 N N . VAL B 357 ? 0.4023 0.4766 0.3778 0.0046 0.0003 -0.0011 424 VAL B N 5657 C CA . VAL B 357 ? 0.4043 0.4800 0.3800 0.0048 0.0000 0.0001 424 VAL B CA 5658 C C . VAL B 357 ? 0.3889 0.4628 0.3644 0.0067 -0.0001 0.0008 424 VAL B C 5659 O O . VAL B 357 ? 0.4476 0.5209 0.4230 0.0077 0.0003 0.0007 424 VAL B O 5660 C CB . VAL B 357 ? 0.4296 0.5083 0.4061 0.0042 0.0001 0.0009 424 VAL B CB 5661 C CG1 . VAL B 357 ? 0.4207 0.5010 0.3977 0.0042 -0.0005 0.0024 424 VAL B CG1 5662 C CG2 . VAL B 357 ? 0.4742 0.5545 0.4509 0.0023 0.0004 0.0000 424 VAL B CG2 5663 N N . GLU B 358 ? 0.4058 0.4789 0.3810 0.0069 -0.0007 0.0014 425 GLU B N 5664 C CA . GLU B 358 ? 0.4477 0.5192 0.4228 0.0086 -0.0009 0.0021 425 GLU B CA 5665 C C . GLU B 358 ? 0.4711 0.5448 0.4477 0.0093 -0.0009 0.0033 425 GLU B C 5666 O O . GLU B 358 ? 0.4635 0.5395 0.4408 0.0083 -0.0015 0.0042 425 GLU B O 5667 C CB . GLU B 358 ? 0.4212 0.4912 0.3958 0.0084 -0.0017 0.0024 425 GLU B CB 5668 C CG . GLU B 358 ? 0.4343 0.5019 0.4087 0.0101 -0.0019 0.0029 425 GLU B CG 5669 C CD . GLU B 358 ? 0.4701 0.5365 0.4441 0.0096 -0.0029 0.0036 425 GLU B CD 5670 O OE1 . GLU B 358 ? 0.5067 0.5749 0.4808 0.0081 -0.0035 0.0043 425 GLU B OE1 5671 O OE2 . GLU B 358 ? 0.4968 0.5604 0.4702 0.0107 -0.0031 0.0035 425 GLU B OE2 5672 N N . LEU B 359 ? 0.4264 0.4997 0.4035 0.0109 -0.0004 0.0033 426 LEU B N 5673 C CA . LEU B 359 ? 0.4301 0.5054 0.4090 0.0119 -0.0003 0.0044 426 LEU B CA 5674 C C . LEU B 359 ? 0.4551 0.5284 0.4345 0.0136 -0.0006 0.0048 426 LEU B C 5675 O O . LEU B 359 ? 0.4454 0.5168 0.4244 0.0150 0.0001 0.0040 426 LEU B O 5676 C CB . LEU B 359 ? 0.4728 0.5492 0.4520 0.0123 0.0007 0.0038 426 LEU B CB 5677 C CG . LEU B 359 ? 0.4818 0.5591 0.4601 0.0106 0.0010 0.0031 426 LEU B CG 5678 C CD1 . LEU B 359 ? 0.5336 0.6114 0.5118 0.0109 0.0020 0.0025 426 LEU B CD1 5679 C CD2 . LEU B 359 ? 0.4998 0.5801 0.4790 0.0090 0.0005 0.0038 426 LEU B CD2 5680 N N . ILE B 360 ? 0.4408 0.5143 0.4209 0.0135 -0.0017 0.0060 427 ILE B N 5681 C CA . ILE B 360 ? 0.4228 0.4939 0.4034 0.0150 -0.0022 0.0065 427 ILE B CA 5682 C C . ILE B 360 ? 0.4828 0.5552 0.4660 0.0168 -0.0019 0.0072 427 ILE B C 5683 O O . ILE B 360 ? 0.5025 0.5783 0.4876 0.0164 -0.0023 0.0083 427 ILE B O 5684 C CB . ILE B 360 ? 0.4082 0.4791 0.3887 0.0140 -0.0036 0.0078 427 ILE B CB 5685 C CG1 . ILE B 360 ? 0.4482 0.5180 0.4264 0.0122 -0.0038 0.0070 427 ILE B CG1 5686 C CG2 . ILE B 360 ? 0.4112 0.4794 0.3923 0.0155 -0.0042 0.0084 427 ILE B CG2 5687 C CD1 . ILE B 360 ? 0.4775 0.5475 0.4552 0.0106 -0.0051 0.0082 427 ILE B CD1 5688 N N . ARG B 361 ? 0.4571 0.5272 0.4405 0.0186 -0.0012 0.0064 428 ARG B N 5689 C CA . ARG B 361 ? 0.4400 0.5111 0.4263 0.0206 -0.0008 0.0067 428 ARG B CA 5690 C C . ARG B 361 ? 0.4327 0.5005 0.4195 0.0221 -0.0014 0.0070 428 ARG B C 5691 O O . ARG B 361 ? 0.4988 0.5632 0.4834 0.0218 -0.0016 0.0063 428 ARG B O 5692 C CB . ARG B 361 ? 0.4516 0.5231 0.4378 0.0214 0.0009 0.0052 428 ARG B CB 5693 C CG . ARG B 361 ? 0.4321 0.5063 0.4175 0.0200 0.0016 0.0049 428 ARG B CG 5694 C CD . ARG B 361 ? 0.4328 0.5112 0.4206 0.0193 0.0009 0.0063 428 ARG B CD 5695 N NE . ARG B 361 ? 0.4265 0.5069 0.4178 0.0210 0.0012 0.0069 428 ARG B NE 5696 C CZ . ARG B 361 ? 0.4098 0.4926 0.4028 0.0218 0.0025 0.0064 428 ARG B CZ 5697 N NH1 . ARG B 361 ? 0.3918 0.4755 0.3832 0.0208 0.0037 0.0054 428 ARG B NH1 5698 N NH2 . ARG B 361 ? 0.4871 0.5717 0.4837 0.0235 0.0025 0.0070 428 ARG B NH2 5699 N N . GLY B 362 ? 0.4359 0.5046 0.4259 0.0237 -0.0016 0.0078 429 GLY B N 5700 C CA . GLY B 362 ? 0.4728 0.5385 0.4639 0.0253 -0.0023 0.0082 429 GLY B CA 5701 C C . GLY B 362 ? 0.4714 0.5369 0.4631 0.0244 -0.0045 0.0104 429 GLY B C 5702 O O . GLY B 362 ? 0.5196 0.5884 0.5124 0.0232 -0.0055 0.0119 429 GLY B O 5703 N N . ARG B 363 ? 0.4581 0.5198 0.4490 0.0248 -0.0053 0.0106 430 ARG B N 5704 C CA . ARG B 363 ? 0.5497 0.6107 0.5411 0.0240 -0.0075 0.0128 430 ARG B CA 5705 C C . ARG B 363 ? 0.5247 0.5868 0.5132 0.0211 -0.0083 0.0134 430 ARG B C 5706 O O . ARG B 363 ? 0.5031 0.5645 0.4888 0.0200 -0.0073 0.0119 430 ARG B O 5707 C CB . ARG B 363 ? 0.5949 0.6512 0.5859 0.0250 -0.0081 0.0127 430 ARG B CB 5708 C CG . ARG B 363 ? 0.6556 0.7100 0.6494 0.0279 -0.0073 0.0119 430 ARG B CG 5709 C CD . ARG B 363 ? 0.7632 0.8196 0.7613 0.0291 -0.0087 0.0140 430 ARG B CD 5710 N NE . ARG B 363 ? 0.8437 0.8989 0.8453 0.0320 -0.0078 0.0131 430 ARG B NE 5711 C CZ . ARG B 363 ? 0.7916 0.8441 0.7957 0.0335 -0.0091 0.0141 430 ARG B CZ 5712 N NH1 . ARG B 363 ? 0.7664 0.8170 0.7694 0.0322 -0.0113 0.0162 430 ARG B NH1 5713 N NH2 . ARG B 363 ? 0.7250 0.7768 0.7327 0.0363 -0.0081 0.0131 430 ARG B NH2 5714 N N . PRO B 364 ? 0.5849 0.6486 0.5740 0.0198 -0.0101 0.0157 431 PRO B N 5715 C CA . PRO B 364 ? 0.5960 0.6604 0.5884 0.0208 -0.0118 0.0179 431 PRO B CA 5716 C C . PRO B 364 ? 0.5857 0.6546 0.5815 0.0215 -0.0117 0.0187 431 PRO B C 5717 O O . PRO B 364 ? 0.6721 0.7416 0.6713 0.0230 -0.0128 0.0202 431 PRO B O 5718 C CB . PRO B 364 ? 0.5403 0.6046 0.5308 0.0183 -0.0138 0.0200 431 PRO B CB 5719 C CG . PRO B 364 ? 0.5960 0.6625 0.5837 0.0159 -0.0129 0.0189 431 PRO B CG 5720 C CD . PRO B 364 ? 0.5972 0.6623 0.5836 0.0168 -0.0108 0.0162 431 PRO B CD 5721 N N . GLN B 365 ? 0.6047 0.6767 0.5996 0.0205 -0.0105 0.0177 432 GLN B N 5722 C CA . GLN B 365 ? 0.5809 0.6573 0.5786 0.0207 -0.0106 0.0185 432 GLN B CA 5723 C C . GLN B 365 ? 0.5958 0.6730 0.5972 0.0235 -0.0094 0.0178 432 GLN B C 5724 O O . GLN B 365 ? 0.6510 0.7314 0.6559 0.0242 -0.0101 0.0190 432 GLN B O 5725 C CB . GLN B 365 ? 0.5718 0.6510 0.5673 0.0186 -0.0096 0.0176 432 GLN B CB 5726 C CG . GLN B 365 ? 0.5836 0.6634 0.5762 0.0156 -0.0106 0.0183 432 GLN B CG 5727 C CD . GLN B 365 ? 0.6520 0.7339 0.6458 0.0143 -0.0130 0.0211 432 GLN B CD 5728 O OE1 . GLN B 365 ? 0.6529 0.7371 0.6502 0.0155 -0.0138 0.0226 432 GLN B OE1 5729 N NE2 . GLN B 365 ? 0.6437 0.7249 0.6346 0.0119 -0.0140 0.0219 432 GLN B NE2 5730 N N . GLU B 366 ? 0.6598 0.7343 0.6604 0.0250 -0.0077 0.0156 433 GLU B N 5731 C CA . GLU B 366 ? 0.5843 0.6597 0.5882 0.0275 -0.0061 0.0144 433 GLU B CA 5732 C C . GLU B 366 ? 0.5518 0.6230 0.5566 0.0297 -0.0060 0.0137 433 GLU B C 5733 O O . GLU B 366 ? 0.6943 0.7620 0.6964 0.0298 -0.0049 0.0120 433 GLU B O 5734 C CB . GLU B 366 ? 0.5579 0.6342 0.5595 0.0270 -0.0038 0.0121 433 GLU B CB 5735 C CG . GLU B 366 ? 0.6106 0.6911 0.6117 0.0249 -0.0039 0.0127 433 GLU B CG 5736 C CD . GLU B 366 ? 0.5866 0.6676 0.5852 0.0241 -0.0019 0.0107 433 GLU B CD 5737 O OE1 . GLU B 366 ? 0.6528 0.7370 0.6532 0.0244 -0.0009 0.0104 433 GLU B OE1 5738 O OE2 . GLU B 366 ? 0.5916 0.6698 0.5866 0.0231 -0.0015 0.0095 433 GLU B OE2 5739 N N . THR B 367 ? 0.6382 0.7098 0.6473 0.0315 -0.0070 0.0151 434 THR B N 5740 C CA . THR B 367 ? 0.6395 0.7069 0.6501 0.0336 -0.0074 0.0148 434 THR B CA 5741 C C . THR B 367 ? 0.5479 0.6148 0.5614 0.0364 -0.0053 0.0127 434 THR B C 5742 O O . THR B 367 ? 0.6013 0.6644 0.6158 0.0381 -0.0052 0.0121 434 THR B O 5743 C CB . THR B 367 ? 0.6650 0.7322 0.6786 0.0340 -0.0101 0.0177 434 THR B CB 5744 O OG1 . THR B 367 ? 0.6612 0.7330 0.6795 0.0350 -0.0105 0.0189 434 THR B OG1 5745 C CG2 . THR B 367 ? 0.6668 0.7337 0.6769 0.0310 -0.0121 0.0197 434 THR B CG2 5746 N N . ARG B 368 ? 0.5415 0.6120 0.5562 0.0368 -0.0034 0.0114 435 ARG B N 5747 C CA . ARG B 368 ? 0.5268 0.5965 0.5432 0.0390 -0.0010 0.0089 435 ARG B CA 5748 C C . ARG B 368 ? 0.5839 0.6487 0.5957 0.0387 0.0002 0.0067 435 ARG B C 5749 O O . ARG B 368 ? 0.6333 0.6957 0.6462 0.0406 0.0016 0.0048 435 ARG B O 5750 C CB . ARG B 368 ? 0.5689 0.6433 0.5865 0.0389 0.0007 0.0079 435 ARG B CB 5751 C CG . ARG B 368 ? 0.6382 0.7116 0.6559 0.0405 0.0036 0.0049 435 ARG B CG 5752 C CD . ARG B 368 ? 0.6294 0.7074 0.6486 0.0404 0.0056 0.0038 435 ARG B CD 5753 N NE . ARG B 368 ? 0.6721 0.7488 0.6918 0.0421 0.0082 0.0010 435 ARG B NE 5754 C CZ . ARG B 368 ? 0.7483 0.8226 0.7635 0.0412 0.0101 -0.0011 435 ARG B CZ 5755 N NH1 . ARG B 368 ? 0.6831 0.7561 0.6928 0.0387 0.0097 -0.0010 435 ARG B NH1 5756 N NH2 . ARG B 368 ? 0.7533 0.8268 0.7696 0.0428 0.0124 -0.0036 435 ARG B NH2 5757 N N . VAL B 369 ? 0.5951 0.6585 0.6020 0.0363 -0.0001 0.0067 436 VAL B N 5758 C CA . VAL B 369 ? 0.5855 0.6446 0.5881 0.0358 0.0008 0.0048 436 VAL B CA 5759 C C . VAL B 369 ? 0.5656 0.6210 0.5662 0.0350 -0.0011 0.0060 436 VAL B C 5760 O O . VAL B 369 ? 0.5797 0.6361 0.5814 0.0342 -0.0031 0.0083 436 VAL B O 5761 C CB . VAL B 369 ? 0.5931 0.6534 0.5916 0.0338 0.0020 0.0036 436 VAL B CB 5762 C CG1 . VAL B 369 ? 0.6110 0.6750 0.6110 0.0344 0.0040 0.0024 436 VAL B CG1 5763 C CG2 . VAL B 369 ? 0.5468 0.6086 0.5433 0.0314 0.0004 0.0054 436 VAL B CG2 5764 N N . TRP B 370 ? 0.5671 0.6182 0.5646 0.0349 -0.0004 0.0044 437 TRP B N 5765 C CA . TRP B 370 ? 0.5333 0.5803 0.5286 0.0340 -0.0021 0.0053 437 TRP B CA 5766 C C . TRP B 370 ? 0.4844 0.5307 0.4750 0.0315 -0.0023 0.0050 437 TRP B C 5767 O O . TRP B 370 ? 0.5496 0.5930 0.5381 0.0304 -0.0035 0.0056 437 TRP B O 5768 C CB . TRP B 370 ? 0.5468 0.5892 0.5424 0.0357 -0.0015 0.0038 437 TRP B CB 5769 C CG . TRP B 370 ? 0.6645 0.7068 0.6652 0.0382 -0.0019 0.0045 437 TRP B CG 5770 C CD1 . TRP B 370 ? 0.7421 0.7862 0.7463 0.0404 -0.0002 0.0031 437 TRP B CD1 5771 C CD2 . TRP B 370 ? 0.7399 0.7806 0.7431 0.0388 -0.0042 0.0068 437 TRP B CD2 5772 N NE1 . TRP B 370 ? 0.7725 0.8163 0.7816 0.0424 -0.0013 0.0043 437 TRP B NE1 5773 C CE2 . TRP B 370 ? 0.7951 0.8365 0.8036 0.0415 -0.0038 0.0067 437 TRP B CE2 5774 C CE3 . TRP B 370 ? 0.7814 0.8199 0.7828 0.0372 -0.0066 0.0089 437 TRP B CE3 5775 C CZ2 . TRP B 370 ? 0.8879 0.9280 0.9003 0.0428 -0.0060 0.0088 437 TRP B CZ2 5776 C CZ3 . TRP B 370 ? 0.8981 0.9351 0.9028 0.0382 -0.0087 0.0111 437 TRP B CZ3 5777 C CH2 . TRP B 370 ? 0.9231 0.9608 0.9334 0.0411 -0.0084 0.0111 437 TRP B CH2 5778 N N . TRP B 371 ? 0.4946 0.5434 0.4835 0.0305 -0.0010 0.0040 438 TRP B N 5779 C CA . TRP B 371 ? 0.4514 0.4997 0.4363 0.0284 -0.0010 0.0035 438 TRP B CA 5780 C C . TRP B 371 ? 0.4608 0.5126 0.4456 0.0265 -0.0020 0.0050 438 TRP B C 5781 O O . TRP B 371 ? 0.4189 0.4739 0.4065 0.0269 -0.0024 0.0063 438 TRP B O 5782 C CB . TRP B 371 ? 0.4550 0.5028 0.4377 0.0283 0.0008 0.0012 438 TRP B CB 5783 C CG . TRP B 371 ? 0.4789 0.5300 0.4635 0.0293 0.0023 0.0006 438 TRP B CG 5784 C CD1 . TRP B 371 ? 0.4818 0.5325 0.4681 0.0312 0.0039 -0.0007 438 TRP B CD1 5785 C CD2 . TRP B 371 ? 0.5045 0.5598 0.4896 0.0283 0.0026 0.0011 438 TRP B CD2 5786 N NE1 . TRP B 371 ? 0.5005 0.5553 0.4886 0.0314 0.0050 -0.0009 438 TRP B NE1 5787 C CE2 . TRP B 371 ? 0.4989 0.5564 0.4861 0.0296 0.0042 0.0002 438 TRP B CE2 5788 C CE3 . TRP B 371 ? 0.5129 0.5703 0.4969 0.0263 0.0017 0.0022 438 TRP B CE3 5789 C CZ2 . TRP B 371 ? 0.4738 0.5354 0.4620 0.0290 0.0048 0.0005 438 TRP B CZ2 5790 C CZ3 . TRP B 371 ? 0.4472 0.5086 0.4322 0.0258 0.0023 0.0024 438 TRP B CZ3 5791 C CH2 . TRP B 371 ? 0.4763 0.5397 0.4633 0.0271 0.0038 0.0017 438 TRP B CH2 5792 N N . THR B 372 ? 0.4367 0.4880 0.4184 0.0246 -0.0023 0.0047 439 THR B N 5793 C CA . THR B 372 ? 0.4338 0.4883 0.4150 0.0227 -0.0027 0.0055 439 THR B CA 5794 C C . THR B 372 ? 0.4282 0.4823 0.4066 0.0217 -0.0017 0.0039 439 THR B C 5795 O O . THR B 372 ? 0.4554 0.5065 0.4316 0.0214 -0.0017 0.0030 439 THR B O 5796 C CB . THR B 372 ? 0.4415 0.4954 0.4219 0.0210 -0.0045 0.0070 439 THR B CB 5797 O OG1 . THR B 372 ? 0.5204 0.5745 0.5033 0.0218 -0.0058 0.0088 439 THR B OG1 5798 C CG2 . THR B 372 ? 0.3974 0.4544 0.3770 0.0190 -0.0048 0.0075 439 THR B CG2 5799 N N . SER B 373 ? 0.4163 0.4735 0.3949 0.0210 -0.0010 0.0037 440 SER B N 5800 C CA . SER B 373 ? 0.4199 0.4767 0.3961 0.0200 -0.0003 0.0024 440 SER B CA 5801 C C . SER B 373 ? 0.4492 0.5096 0.4259 0.0187 -0.0003 0.0028 440 SER B C 5802 O O . SER B 373 ? 0.5170 0.5801 0.4956 0.0184 -0.0008 0.0041 440 SER B O 5803 C CB . SER B 373 ? 0.4350 0.4905 0.4104 0.0211 0.0011 0.0009 440 SER B CB 5804 O OG . SER B 373 ? 0.4537 0.5079 0.4264 0.0201 0.0014 -0.0001 440 SER B OG 5805 N N . ASN B 374 ? 0.4469 0.5074 0.4219 0.0178 0.0003 0.0018 441 ASN B N 5806 C CA . ASN B 374 ? 0.4344 0.4980 0.4099 0.0165 0.0004 0.0021 441 ASN B CA 5807 C C . ASN B 374 ? 0.4640 0.5276 0.4383 0.0163 0.0014 0.0010 441 ASN B C 5808 O O . ASN B 374 ? 0.4433 0.5043 0.4158 0.0166 0.0017 0.0001 441 ASN B O 5809 C CB . ASN B 374 ? 0.4415 0.5052 0.4163 0.0148 -0.0005 0.0024 441 ASN B CB 5810 C CG . ASN B 374 ? 0.4058 0.4671 0.3785 0.0142 -0.0005 0.0012 441 ASN B CG 5811 O OD1 . ASN B 374 ? 0.3987 0.4572 0.3703 0.0145 -0.0008 0.0009 441 ASN B OD1 5812 N ND2 . ASN B 374 ? 0.4059 0.4681 0.3781 0.0133 -0.0001 0.0006 441 ASN B ND2 5813 N N . SER B 375 ? 0.4379 0.5043 0.4128 0.0154 0.0017 0.0012 442 SER B N 5814 C CA . SER B 375 ? 0.4387 0.5048 0.4122 0.0145 0.0022 0.0004 442 SER B CA 5815 C C . SER B 375 ? 0.4531 0.5205 0.4268 0.0129 0.0015 0.0006 442 SER B C 5816 O O . SER B 375 ? 0.4751 0.5433 0.4496 0.0124 0.0008 0.0011 442 SER B O 5817 C CB . SER B 375 ? 0.4845 0.5526 0.4587 0.0149 0.0033 0.0003 442 SER B CB 5818 O OG . SER B 375 ? 0.5521 0.6236 0.5282 0.0144 0.0033 0.0012 442 SER B OG 5819 N N . ILE B 376 ? 0.4520 0.5194 0.4249 0.0120 0.0018 0.0000 443 ILE B N 5820 C CA . ILE B 376 ? 0.4746 0.5432 0.4479 0.0105 0.0014 -0.0001 443 ILE B CA 5821 C C . ILE B 376 ? 0.4131 0.4833 0.3867 0.0097 0.0019 -0.0002 443 ILE B C 5822 O O . ILE B 376 ? 0.4453 0.5150 0.4182 0.0101 0.0025 -0.0003 443 ILE B O 5823 C CB . ILE B 376 ? 0.5898 0.6562 0.5622 0.0099 0.0008 -0.0009 443 ILE B CB 5824 C CG1 . ILE B 376 ? 0.6498 0.7138 0.6207 0.0103 0.0010 -0.0014 443 ILE B CG1 5825 C CG2 . ILE B 376 ? 0.7398 0.8045 0.7118 0.0103 0.0002 -0.0008 443 ILE B CG2 5826 C CD1 . ILE B 376 ? 0.7938 0.8559 0.7643 0.0096 0.0003 -0.0021 443 ILE B CD1 5827 N N . VAL B 377 ? 0.3530 0.4249 0.3274 0.0084 0.0016 -0.0002 444 VAL B N 5828 C CA . VAL B 377 ? 0.3488 0.4217 0.3234 0.0073 0.0020 -0.0005 444 VAL B CA 5829 C C . VAL B 377 ? 0.3845 0.4570 0.3593 0.0061 0.0016 -0.0013 444 VAL B C 5830 O O . VAL B 377 ? 0.4033 0.4761 0.3785 0.0057 0.0012 -0.0014 444 VAL B O 5831 C CB . VAL B 377 ? 0.4137 0.4899 0.3895 0.0070 0.0023 0.0002 444 VAL B CB 5832 C CG1 . VAL B 377 ? 0.4320 0.5102 0.4087 0.0061 0.0018 0.0006 444 VAL B CG1 5833 C CG2 . VAL B 377 ? 0.4966 0.5736 0.4723 0.0059 0.0028 0.0000 444 VAL B CG2 5834 N N . VAL B 378 ? 0.4227 0.4942 0.3973 0.0055 0.0016 -0.0019 445 VAL B N 5835 C CA . VAL B 378 ? 0.3946 0.4652 0.3698 0.0047 0.0013 -0.0029 445 VAL B CA 5836 C C . VAL B 378 ? 0.4217 0.4930 0.3974 0.0035 0.0015 -0.0033 445 VAL B C 5837 O O . VAL B 378 ? 0.3960 0.4671 0.3712 0.0035 0.0018 -0.0029 445 VAL B O 5838 C CB . VAL B 378 ? 0.4540 0.5214 0.4285 0.0054 0.0008 -0.0033 445 VAL B CB 5839 C CG1 . VAL B 378 ? 0.4559 0.5226 0.4316 0.0047 0.0004 -0.0044 445 VAL B CG1 5840 C CG2 . VAL B 378 ? 0.4311 0.4974 0.4046 0.0065 0.0005 -0.0030 445 VAL B CG2 5841 N N . PHE B 379 ? 0.4002 0.4724 0.3770 0.0023 0.0015 -0.0042 446 PHE B N 5842 C CA . PHE B 379 ? 0.4101 0.4830 0.3877 0.0010 0.0018 -0.0049 446 PHE B CA 5843 C C . PHE B 379 ? 0.4270 0.4986 0.4057 0.0005 0.0017 -0.0064 446 PHE B C 5844 O O . PHE B 379 ? 0.4062 0.4776 0.3854 0.0007 0.0015 -0.0069 446 PHE B O 5845 C CB . PHE B 379 ? 0.4165 0.4927 0.3944 -0.0001 0.0022 -0.0047 446 PHE B CB 5846 C CG . PHE B 379 ? 0.4313 0.5092 0.4087 0.0000 0.0025 -0.0035 446 PHE B CG 5847 C CD1 . PHE B 379 ? 0.4587 0.5367 0.4356 0.0012 0.0024 -0.0024 446 PHE B CD1 5848 C CD2 . PHE B 379 ? 0.5071 0.5864 0.4848 -0.0013 0.0028 -0.0036 446 PHE B CD2 5849 C CE1 . PHE B 379 ? 0.4516 0.5315 0.4286 0.0014 0.0028 -0.0014 446 PHE B CE1 5850 C CE2 . PHE B 379 ? 0.4496 0.5307 0.4272 -0.0013 0.0031 -0.0025 446 PHE B CE2 5851 C CZ . PHE B 379 ? 0.4719 0.5534 0.4491 0.0000 0.0031 -0.0014 446 PHE B CZ 5852 N N . CYS B 380 ? 0.4185 0.4893 0.3980 -0.0001 0.0017 -0.0071 447 CYS B N 5853 C CA . CYS B 380 ? 0.4357 0.5052 0.4169 -0.0005 0.0016 -0.0087 447 CYS B CA 5854 C C . CYS B 380 ? 0.4502 0.5207 0.4325 -0.0019 0.0022 -0.0098 447 CYS B C 5855 O O . CYS B 380 ? 0.4553 0.5267 0.4369 -0.0027 0.0024 -0.0092 447 CYS B O 5856 C CB . CYS B 380 ? 0.4842 0.5506 0.4658 0.0004 0.0008 -0.0085 447 CYS B CB 5857 S SG . CYS B 380 ? 0.5808 0.6454 0.5620 0.0019 0.0000 -0.0081 447 CYS B SG 5858 N N . GLY B 381 ? 0.4455 0.5161 0.4294 -0.0026 0.0025 -0.0115 448 GLY B N 5859 C CA . GLY B 381 ? 0.4154 0.4869 0.4004 -0.0041 0.0032 -0.0130 448 GLY B CA 5860 C C . GLY B 381 ? 0.4083 0.4776 0.3939 -0.0041 0.0028 -0.0129 448 GLY B C 5861 O O . GLY B 381 ? 0.4055 0.4723 0.3916 -0.0029 0.0020 -0.0124 448 GLY B O 5862 N N . THR B 382 ? 0.4337 0.5041 0.4192 -0.0055 0.0034 -0.0133 449 THR B N 5863 C CA . THR B 382 ? 0.4672 0.5355 0.4533 -0.0059 0.0031 -0.0135 449 THR B CA 5864 C C . THR B 382 ? 0.4979 0.5668 0.4852 -0.0076 0.0039 -0.0155 449 THR B C 5865 O O . THR B 382 ? 0.4863 0.5579 0.4729 -0.0089 0.0048 -0.0162 449 THR B O 5866 C CB . THR B 382 ? 0.5193 0.5882 0.5034 -0.0062 0.0029 -0.0115 449 THR B CB 5867 O OG1 . THR B 382 ? 0.4594 0.5261 0.4439 -0.0067 0.0026 -0.0115 449 THR B OG1 5868 C CG2 . THR B 382 ? 0.4651 0.5375 0.4479 -0.0075 0.0036 -0.0112 449 THR B CG2 5869 N N . SER B 383 ? 0.5002 0.5665 0.4894 -0.0076 0.0037 -0.0164 450 SER B N 5870 C CA . SER B 383 ? 0.5722 0.6386 0.5624 -0.0093 0.0045 -0.0183 450 SER B CA 5871 C C . SER B 383 ? 0.5939 0.6596 0.5829 -0.0103 0.0042 -0.0172 450 SER B C 5872 O O . SER B 383 ? 0.5250 0.5901 0.5147 -0.0117 0.0047 -0.0187 450 SER B O 5873 C CB . SER B 383 ? 0.5525 0.6166 0.5459 -0.0088 0.0045 -0.0204 450 SER B CB 5874 O OG . SER B 383 ? 0.5856 0.6462 0.5801 -0.0077 0.0033 -0.0195 450 SER B OG 5875 N N . GLY B 384 ? 0.5796 0.6453 0.5667 -0.0097 0.0035 -0.0149 451 GLY B N 5876 C CA . GLY B 384 ? 0.5217 0.5873 0.5075 -0.0109 0.0034 -0.0138 451 GLY B CA 5877 C C . GLY B 384 ? 0.5328 0.6023 0.5168 -0.0123 0.0041 -0.0131 451 GLY B C 5878 O O . GLY B 384 ? 0.4755 0.5475 0.4595 -0.0129 0.0048 -0.0141 451 GLY B O 5879 N N . THR B 385 ? 0.5163 0.5865 0.4988 -0.0127 0.0039 -0.0114 452 THR B N 5880 C CA . THR B 385 ? 0.5147 0.5887 0.4958 -0.0136 0.0043 -0.0104 452 THR B CA 5881 C C . THR B 385 ? 0.5299 0.6051 0.5099 -0.0121 0.0040 -0.0084 452 THR B C 5882 O O . THR B 385 ? 0.4301 0.5030 0.4099 -0.0106 0.0035 -0.0077 452 THR B O 5883 C CB . THR B 385 ? 0.5286 0.6030 0.5091 -0.0156 0.0045 -0.0102 452 THR B CB 5884 O OG1 . THR B 385 ? 0.5177 0.5895 0.4978 -0.0152 0.0039 -0.0090 452 THR B OG1 5885 C CG2 . THR B 385 ? 0.5229 0.5960 0.5045 -0.0171 0.0049 -0.0124 452 THR B CG2 5886 N N . TYR B 386 ? 0.4535 0.5324 0.4328 -0.0126 0.0044 -0.0075 453 TYR B N 5887 C CA . TYR B 386 ? 0.4500 0.5305 0.4286 -0.0112 0.0043 -0.0058 453 TYR B CA 5888 C C . TYR B 386 ? 0.4847 0.5695 0.4630 -0.0122 0.0045 -0.0048 453 TYR B C 5889 O O . TYR B 386 ? 0.4519 0.5384 0.4303 -0.0140 0.0047 -0.0054 453 TYR B O 5890 C CB . TYR B 386 ? 0.4411 0.5214 0.4199 -0.0097 0.0041 -0.0062 453 TYR B CB 5891 C CG . TYR B 386 ? 0.4766 0.5587 0.4559 -0.0108 0.0044 -0.0074 453 TYR B CG 5892 C CD1 . TYR B 386 ? 0.4665 0.5522 0.4454 -0.0114 0.0045 -0.0066 453 TYR B CD1 5893 C CD2 . TYR B 386 ? 0.4399 0.5201 0.4200 -0.0112 0.0045 -0.0093 453 TYR B CD2 5894 C CE1 . TYR B 386 ? 0.4769 0.5642 0.4558 -0.0128 0.0047 -0.0077 453 TYR B CE1 5895 C CE2 . TYR B 386 ? 0.4488 0.5307 0.4291 -0.0124 0.0050 -0.0105 453 TYR B CE2 5896 C CZ . TYR B 386 ? 0.4342 0.5196 0.4136 -0.0134 0.0050 -0.0097 453 TYR B CZ 5897 O OH . TYR B 386 ? 0.3987 0.4858 0.3779 -0.0148 0.0054 -0.0109 453 TYR B OH 5898 N N . GLY B 387 ? 0.4842 0.5707 0.4623 -0.0109 0.0045 -0.0033 454 GLY B N 5899 C CA . GLY B 387 ? 0.4143 0.5048 0.3926 -0.0115 0.0047 -0.0021 454 GLY B CA 5900 C C . GLY B 387 ? 0.4226 0.5152 0.4014 -0.0104 0.0045 -0.0015 454 GLY B C 5901 O O . GLY B 387 ? 0.4295 0.5215 0.4082 -0.0104 0.0043 -0.0023 454 GLY B O 5902 N N . THR B 388 ? 0.3855 0.4808 0.3648 -0.0096 0.0045 -0.0001 455 THR B N 5903 C CA . THR B 388 ? 0.3931 0.4906 0.3731 -0.0086 0.0042 0.0007 455 THR B CA 5904 C C . THR B 388 ? 0.4116 0.5093 0.3922 -0.0064 0.0044 0.0016 455 THR B C 5905 O O . THR B 388 ? 0.4303 0.5276 0.4107 -0.0061 0.0050 0.0019 455 THR B O 5906 C CB . THR B 388 ? 0.4043 0.5063 0.3853 -0.0100 0.0038 0.0016 455 THR B CB 5907 O OG1 . THR B 388 ? 0.3546 0.4586 0.3362 -0.0108 0.0042 0.0022 455 THR B OG1 5908 C CG2 . THR B 388 ? 0.4007 0.5031 0.3811 -0.0121 0.0035 0.0006 455 THR B CG2 5909 N N . GLY B 389 ? 0.4467 0.5449 0.4278 -0.0051 0.0040 0.0022 456 GLY B N 5910 C CA . GLY B 389 ? 0.4645 0.5629 0.4463 -0.0030 0.0043 0.0030 456 GLY B CA 5911 C C . GLY B 389 ? 0.4211 0.5196 0.4034 -0.0017 0.0037 0.0035 456 GLY B C 5912 O O . GLY B 389 ? 0.4653 0.5645 0.4476 -0.0026 0.0030 0.0035 456 GLY B O 5913 N N . SER B 390 ? 0.4414 0.5396 0.4244 0.0002 0.0040 0.0039 457 SER B N 5914 C CA . SER B 390 ? 0.4519 0.5493 0.4353 0.0018 0.0034 0.0044 457 SER B CA 5915 C C . SER B 390 ? 0.4055 0.5001 0.3883 0.0037 0.0040 0.0039 457 SER B C 5916 O O . SER B 390 ? 0.4850 0.5802 0.4681 0.0043 0.0049 0.0040 457 SER B O 5917 C CB . SER B 390 ? 0.3859 0.4869 0.3715 0.0022 0.0029 0.0058 457 SER B CB 5918 O OG . SER B 390 ? 0.4205 0.5204 0.4066 0.0037 0.0023 0.0063 457 SER B OG 5919 N N . TRP B 391 ? 0.4034 0.4952 0.3852 0.0044 0.0036 0.0035 458 TRP B N 5920 C CA . TRP B 391 ? 0.4090 0.4976 0.3896 0.0059 0.0041 0.0029 458 TRP B CA 5921 C C . TRP B 391 ? 0.4417 0.5292 0.4227 0.0075 0.0036 0.0033 458 TRP B C 5922 O O . TRP B 391 ? 0.4579 0.5427 0.4377 0.0076 0.0032 0.0027 458 TRP B O 5923 C CB . TRP B 391 ? 0.4098 0.4954 0.3885 0.0051 0.0041 0.0019 458 TRP B CB 5924 C CG . TRP B 391 ? 0.4264 0.5122 0.4046 0.0037 0.0045 0.0015 458 TRP B CG 5925 C CD1 . TRP B 391 ? 0.4679 0.5527 0.4452 0.0038 0.0051 0.0014 458 TRP B CD1 5926 C CD2 . TRP B 391 ? 0.4458 0.5328 0.4242 0.0019 0.0042 0.0013 458 TRP B CD2 5927 N NE1 . TRP B 391 ? 0.4915 0.5768 0.4685 0.0022 0.0052 0.0012 458 TRP B NE1 5928 C CE2 . TRP B 391 ? 0.5328 0.6194 0.5106 0.0010 0.0047 0.0011 458 TRP B CE2 5929 C CE3 . TRP B 391 ? 0.4399 0.5285 0.4190 0.0008 0.0037 0.0013 458 TRP B CE3 5930 C CZ2 . TRP B 391 ? 0.4817 0.5690 0.4596 -0.0007 0.0046 0.0007 458 TRP B CZ2 5931 C CZ3 . TRP B 391 ? 0.4685 0.5579 0.4476 -0.0010 0.0037 0.0008 458 TRP B CZ3 5932 C CH2 . TRP B 391 ? 0.4875 0.5762 0.4661 -0.0017 0.0042 0.0005 458 TRP B CH2 5933 N N . PRO B 392 ? 0.4523 0.5419 0.4352 0.0086 0.0037 0.0041 459 PRO B N 5934 C CA . PRO B 392 ? 0.4791 0.5675 0.4626 0.0100 0.0031 0.0046 459 PRO B CA 5935 C C . PRO B 392 ? 0.5010 0.5865 0.4836 0.0117 0.0039 0.0037 459 PRO B C 5936 O O . PRO B 392 ? 0.4795 0.5641 0.4608 0.0116 0.0048 0.0030 459 PRO B O 5937 C CB . PRO B 392 ? 0.4737 0.5656 0.4601 0.0107 0.0028 0.0058 459 PRO B CB 5938 C CG . PRO B 392 ? 0.4204 0.5146 0.4076 0.0105 0.0040 0.0056 459 PRO B CG 5939 C CD . PRO B 392 ? 0.4515 0.5446 0.4364 0.0087 0.0042 0.0048 459 PRO B CD 5940 N N . ASP B 393 ? 0.4986 0.5827 0.4816 0.0131 0.0035 0.0040 460 ASP B N 5941 C CA . ASP B 393 ? 0.5141 0.5953 0.4961 0.0146 0.0042 0.0031 460 ASP B CA 5942 C C . ASP B 393 ? 0.5119 0.5942 0.4946 0.0155 0.0057 0.0026 460 ASP B C 5943 O O . ASP B 393 ? 0.5076 0.5878 0.4883 0.0156 0.0065 0.0016 460 ASP B O 5944 C CB . ASP B 393 ? 0.5588 0.6386 0.5418 0.0159 0.0034 0.0037 460 ASP B CB 5945 C CG . ASP B 393 ? 0.6356 0.7127 0.6179 0.0175 0.0042 0.0027 460 ASP B CG 5946 O OD1 . ASP B 393 ? 0.6915 0.7654 0.6713 0.0173 0.0043 0.0019 460 ASP B OD1 5947 O OD2 . ASP B 393 ? 0.7110 0.7892 0.6955 0.0191 0.0049 0.0029 460 ASP B OD2 5948 N N . GLY B 394 ? 0.4233 0.5090 0.4089 0.0161 0.0059 0.0034 461 GLY B N 5949 C CA . GLY B 394 ? 0.4084 0.4961 0.3952 0.0167 0.0073 0.0029 461 GLY B CA 5950 C C . GLY B 394 ? 0.4351 0.5222 0.4233 0.0188 0.0083 0.0023 461 GLY B C 5951 O O . GLY B 394 ? 0.4922 0.5810 0.4813 0.0193 0.0097 0.0017 461 GLY B O 5952 N N . ALA B 395 ? 0.4698 0.5540 0.4577 0.0200 0.0076 0.0023 462 ALA B N 5953 C CA . ALA B 395 ? 0.4899 0.5731 0.4792 0.0220 0.0086 0.0015 462 ALA B CA 5954 C C . ALA B 395 ? 0.5044 0.5908 0.4982 0.0234 0.0083 0.0025 462 ALA B C 5955 O O . ALA B 395 ? 0.4568 0.5446 0.4521 0.0230 0.0067 0.0040 462 ALA B O 5956 C CB . ALA B 395 ? 0.4954 0.5742 0.4829 0.0227 0.0080 0.0010 462 ALA B CB 5957 N N . ASN B 396 ? 0.4654 0.5528 0.4614 0.0250 0.0098 0.0016 463 ASN B N 5958 C CA . ASN B 396 ? 0.4511 0.5409 0.4517 0.0268 0.0096 0.0023 463 ASN B CA 5959 C C . ASN B 396 ? 0.4608 0.5472 0.4621 0.0287 0.0092 0.0019 463 ASN B C 5960 O O . ASN B 396 ? 0.4922 0.5759 0.4922 0.0296 0.0107 0.0002 463 ASN B O 5961 C CB . ASN B 396 ? 0.5035 0.5966 0.5063 0.0274 0.0117 0.0012 463 ASN B CB 5962 C CG . ASN B 396 ? 0.5357 0.6320 0.5442 0.0294 0.0116 0.0019 463 ASN B CG 5963 O OD1 . ASN B 396 ? 0.5595 0.6544 0.5703 0.0309 0.0103 0.0027 463 ASN B OD1 5964 N ND2 . ASN B 396 ? 0.6214 0.7218 0.6324 0.0294 0.0129 0.0016 463 ASN B ND2 5965 N N . ILE B 397 ? 0.4695 0.5558 0.4728 0.0291 0.0073 0.0036 464 ILE B N 5966 C CA . ILE B 397 ? 0.5104 0.5929 0.5141 0.0306 0.0065 0.0037 464 ILE B CA 5967 C C . ILE B 397 ? 0.5035 0.5857 0.5103 0.0331 0.0080 0.0023 464 ILE B C 5968 O O . ILE B 397 ? 0.5013 0.5796 0.5071 0.0342 0.0083 0.0013 464 ILE B O 5969 C CB . ILE B 397 ? 0.5391 0.6219 0.5445 0.0304 0.0039 0.0061 464 ILE B CB 5970 C CG1 . ILE B 397 ? 0.5904 0.6685 0.5946 0.0312 0.0029 0.0062 464 ILE B CG1 5971 C CG2 . ILE B 397 ? 0.5304 0.6172 0.5414 0.0318 0.0033 0.0075 464 ILE B CG2 5972 C CD1 . ILE B 397 ? 0.6290 0.7036 0.6281 0.0295 0.0029 0.0053 464 ILE B CD1 5973 N N . ASN B 398 ? 0.5041 0.5906 0.5146 0.0340 0.0091 0.0021 465 ASN B N 5974 C CA . ASN B 398 ? 0.5100 0.5968 0.5240 0.0364 0.0109 0.0006 465 ASN B CA 5975 C C . ASN B 398 ? 0.5215 0.6062 0.5324 0.0364 0.0134 -0.0020 465 ASN B C 5976 O O . ASN B 398 ? 0.5275 0.6118 0.5408 0.0383 0.0150 -0.0036 465 ASN B O 5977 C CB . ASN B 398 ? 0.5170 0.6093 0.5362 0.0372 0.0114 0.0011 465 ASN B CB 5978 C CG . ASN B 398 ? 0.6195 0.7141 0.6423 0.0374 0.0088 0.0039 465 ASN B CG 5979 O OD1 . ASN B 398 ? 0.6019 0.7007 0.6260 0.0362 0.0082 0.0052 465 ASN B OD1 5980 N ND2 . ASN B 398 ? 0.5726 0.6643 0.5969 0.0387 0.0071 0.0049 465 ASN B ND2 5981 N N . PHE B 399 ? 0.5165 0.6002 0.5225 0.0342 0.0138 -0.0025 466 PHE B N 5982 C CA . PHE B 399 ? 0.5636 0.6455 0.5660 0.0337 0.0161 -0.0049 466 PHE B CA 5983 C C . PHE B 399 ? 0.6062 0.6825 0.6046 0.0335 0.0156 -0.0056 466 PHE B C 5984 O O . PHE B 399 ? 0.7622 0.8364 0.7573 0.0330 0.0170 -0.0075 466 PHE B O 5985 C CB . PHE B 399 ? 0.5773 0.6611 0.5764 0.0312 0.0166 -0.0048 466 PHE B CB 5986 C CG . PHE B 399 ? 0.5431 0.6321 0.5451 0.0309 0.0176 -0.0046 466 PHE B CG 5987 C CD1 . PHE B 399 ? 0.5915 0.6839 0.5990 0.0329 0.0185 -0.0048 466 PHE B CD1 5988 C CD2 . PHE B 399 ? 0.5487 0.6394 0.5480 0.0286 0.0178 -0.0042 466 PHE B CD2 5989 C CE1 . PHE B 399 ? 0.5577 0.6552 0.5679 0.0325 0.0195 -0.0046 466 PHE B CE1 5990 C CE2 . PHE B 399 ? 0.5383 0.6339 0.5401 0.0280 0.0188 -0.0040 466 PHE B CE2 5991 C CZ . PHE B 399 ? 0.5860 0.6852 0.5933 0.0300 0.0196 -0.0041 466 PHE B CZ 5992 N N . MET B 400 ? 0.6027 0.6768 0.6012 0.0337 0.0134 -0.0042 467 MET B N 5993 C CA . MET B 400 ? 0.5458 0.6149 0.5404 0.0331 0.0126 -0.0046 467 MET B CA 5994 C C . MET B 400 ? 0.5957 0.6613 0.5913 0.0351 0.0131 -0.0058 467 MET B C 5995 O O . MET B 400 ? 0.6073 0.6738 0.6074 0.0370 0.0128 -0.0054 467 MET B O 5996 C CB . MET B 400 ? 0.5253 0.5938 0.5193 0.0321 0.0101 -0.0024 467 MET B CB 5997 C CG . MET B 400 ? 0.5620 0.6337 0.5551 0.0301 0.0094 -0.0012 467 MET B CG 5998 S SD . MET B 400 ? 0.5222 0.5932 0.5103 0.0279 0.0105 -0.0024 467 MET B SD 5999 C CE . MET B 400 ? 0.5488 0.6142 0.5328 0.0274 0.0097 -0.0031 467 MET B CE 6000 N N . PRO B 401 ? 0.6767 0.7380 0.6682 0.0345 0.0135 -0.0073 468 PRO B N 6001 C CA . PRO B 401 ? 0.6503 0.7072 0.6419 0.0359 0.0132 -0.0080 468 PRO B CA 6002 C C . PRO B 401 ? 0.6766 0.7327 0.6703 0.0364 0.0107 -0.0058 468 PRO B C 6003 O O . PRO B 401 ? 0.6900 0.7474 0.6827 0.0348 0.0091 -0.0040 468 PRO B O 6004 C CB . PRO B 401 ? 0.7228 0.7759 0.7088 0.0342 0.0132 -0.0091 468 PRO B CB 6005 C CG . PRO B 401 ? 0.6764 0.7318 0.6597 0.0325 0.0144 -0.0096 468 PRO B CG 6006 C CD . PRO B 401 ? 0.6313 0.6915 0.6176 0.0324 0.0139 -0.0080 468 PRO B CD 6007 N N . ILE B 402 ? 0.7110 0.7646 0.7073 0.0382 0.0103 -0.0058 469 ILE B N 6008 C CA . ILE B 402 ? 0.8048 0.8590 0.8044 0.0388 0.0079 -0.0033 469 ILE B CA 6009 C C . ILE B 402 ? 0.7930 0.8444 0.7896 0.0372 0.0056 -0.0017 469 ILE B C 6010 O O . ILE B 402 ? 0.6731 0.7202 0.6671 0.0369 0.0054 -0.0024 469 ILE B O 6011 C CB . ILE B 402 ? 0.8450 0.8991 0.8502 0.0416 0.0078 -0.0031 469 ILE B CB 6012 C CG1 . ILE B 402 ? 0.9342 0.9838 0.9390 0.0431 0.0092 -0.0055 469 ILE B CG1 6013 C CG2 . ILE B 402 ? 0.8063 0.8657 0.8160 0.0426 0.0088 -0.0030 469 ILE B CG2 6014 C CD1 . ILE B 402 ? 1.0490 1.0980 1.0596 0.0459 0.0089 -0.0054 469 ILE B CD1 6015 N N . ALA C 15 ? 1.3150 1.3277 1.3019 0.0156 -0.0177 -0.0207 82 ALA C N 6016 C CA . ALA C 15 ? 1.3048 1.3225 1.2951 0.0149 -0.0162 -0.0211 82 ALA C CA 6017 C C . ALA C 15 ? 1.2445 1.2654 1.2386 0.0163 -0.0171 -0.0214 82 ALA C C 6018 O O . ALA C 15 ? 1.2085 1.2283 1.2022 0.0168 -0.0190 -0.0207 82 ALA C O 6019 C CB . ALA C 15 ? 1.1953 1.2138 1.1840 0.0125 -0.0157 -0.0201 82 ALA C CB 6020 N N . GLU C 16 ? 1.1882 1.2131 1.1860 0.0167 -0.0157 -0.0224 83 GLU C N 6021 C CA . GLU C 16 ? 1.0427 1.0716 1.0447 0.0178 -0.0162 -0.0228 83 GLU C CA 6022 C C . GLU C 16 ? 0.8437 0.8758 0.8465 0.0159 -0.0153 -0.0224 83 GLU C C 6023 O O . GLU C 16 ? 0.7429 0.7747 0.7439 0.0142 -0.0140 -0.0221 83 GLU C O 6024 C CB . GLU C 16 ? 1.1093 1.1403 1.1146 0.0196 -0.0150 -0.0243 83 GLU C CB 6025 C CG . GLU C 16 ? 1.2979 1.3334 1.3083 0.0212 -0.0154 -0.0252 83 GLU C CG 6026 C CD . GLU C 16 ? 1.3377 1.3734 1.3494 0.0223 -0.0180 -0.0245 83 GLU C CD 6027 O OE1 . GLU C 16 ? 1.2401 1.2766 1.2545 0.0247 -0.0187 -0.0254 83 GLU C OE1 6028 O OE2 . GLU C 16 ? 1.0928 1.1281 1.1031 0.0211 -0.0193 -0.0234 83 GLU C OE2 6029 N N . TYR C 17 ? 0.6887 0.7240 0.6945 0.0162 -0.0159 -0.0224 84 TYR C N 6030 C CA . TYR C 17 ? 0.6135 0.6519 0.6204 0.0146 -0.0149 -0.0224 84 TYR C CA 6031 C C . TYR C 17 ? 0.5839 0.6250 0.5928 0.0144 -0.0127 -0.0235 84 TYR C C 6032 O O . TYR C 17 ? 0.5941 0.6363 0.6052 0.0158 -0.0122 -0.0246 84 TYR C O 6033 C CB . TYR C 17 ? 0.5704 0.6115 0.5799 0.0149 -0.0163 -0.0222 84 TYR C CB 6034 C CG . TYR C 17 ? 0.6166 0.6550 0.6238 0.0147 -0.0184 -0.0210 84 TYR C CG 6035 C CD1 . TYR C 17 ? 0.5570 0.5933 0.5606 0.0129 -0.0183 -0.0199 84 TYR C CD1 6036 C CD2 . TYR C 17 ? 0.6643 0.7026 0.6729 0.0162 -0.0205 -0.0209 84 TYR C CD2 6037 C CE1 . TYR C 17 ? 0.6351 0.6690 0.6365 0.0125 -0.0200 -0.0189 84 TYR C CE1 6038 C CE2 . TYR C 17 ? 0.6514 0.6870 0.6575 0.0158 -0.0225 -0.0197 84 TYR C CE2 6039 C CZ . TYR C 17 ? 0.7077 0.7410 0.7099 0.0139 -0.0222 -0.0188 84 TYR C CZ 6040 O OH . TYR C 17 ? 0.7102 0.7407 0.7096 0.0132 -0.0239 -0.0177 84 TYR C OH 6041 N N . ARG C 18 ? 0.6309 0.6730 0.6389 0.0125 -0.0115 -0.0232 85 ARG C N 6042 C CA . ARG C 18 ? 0.5864 0.6311 0.5960 0.0119 -0.0096 -0.0242 85 ARG C CA 6043 C C . ARG C 18 ? 0.5585 0.6074 0.5718 0.0121 -0.0095 -0.0248 85 ARG C C 6044 O O . ARG C 18 ? 0.4820 0.5317 0.4955 0.0115 -0.0107 -0.0240 85 ARG C O 6045 C CB . ARG C 18 ? 0.6481 0.6927 0.6555 0.0099 -0.0086 -0.0236 85 ARG C CB 6046 C CG . ARG C 18 ? 0.6338 0.6756 0.6381 0.0092 -0.0079 -0.0232 85 ARG C CG 6047 C CD . ARG C 18 ? 0.6504 0.6925 0.6531 0.0074 -0.0076 -0.0225 85 ARG C CD 6048 N NE . ARG C 18 ? 0.6093 0.6502 0.6100 0.0064 -0.0064 -0.0225 85 ARG C NE 6049 C CZ . ARG C 18 ? 0.5963 0.6364 0.5949 0.0052 -0.0063 -0.0217 85 ARG C CZ 6050 N NH1 . ARG C 18 ? 0.5878 0.6282 0.5860 0.0047 -0.0070 -0.0209 85 ARG C NH1 6051 N NH2 . ARG C 18 ? 0.6103 0.6494 0.6074 0.0045 -0.0053 -0.0218 85 ARG C NH2 6052 N N . ASN C 19 ? 0.5314 0.5827 0.5470 0.0124 -0.0080 -0.0260 86 ASN C N 6053 C CA . ASN C 19 ? 0.5105 0.5663 0.5298 0.0122 -0.0075 -0.0268 86 ASN C CA 6054 C C . ASN C 19 ? 0.5194 0.5768 0.5384 0.0104 -0.0055 -0.0273 86 ASN C C 6055 O O . ASN C 19 ? 0.5499 0.6107 0.5712 0.0096 -0.0052 -0.0277 86 ASN C O 6056 C CB . ASN C 19 ? 0.5950 0.6528 0.6180 0.0143 -0.0076 -0.0279 86 ASN C CB 6057 C CG . ASN C 19 ? 0.6503 0.7063 0.6735 0.0162 -0.0100 -0.0274 86 ASN C CG 6058 O OD1 . ASN C 19 ? 1.0194 1.0727 1.0416 0.0177 -0.0102 -0.0276 86 ASN C OD1 6059 N ND2 . ASN C 19 ? 0.7489 0.8056 0.7726 0.0160 -0.0118 -0.0265 86 ASN C ND2 6060 N N . TRP C 20 ? 0.4527 0.5078 0.4689 0.0096 -0.0042 -0.0274 87 TRP C N 6061 C CA . TRP C 20 ? 0.4738 0.5299 0.4894 0.0079 -0.0023 -0.0279 87 TRP C CA 6062 C C . TRP C 20 ? 0.4697 0.5298 0.4890 0.0082 -0.0009 -0.0294 87 TRP C C 6063 O O . TRP C 20 ? 0.5337 0.5959 0.5534 0.0066 0.0001 -0.0298 87 TRP C O 6064 C CB . TRP C 20 ? 0.4572 0.5137 0.4714 0.0062 -0.0026 -0.0271 87 TRP C CB 6065 C CG . TRP C 20 ? 0.4747 0.5282 0.4859 0.0059 -0.0037 -0.0257 87 TRP C CG 6066 C CD1 . TRP C 20 ? 0.5112 0.5641 0.5223 0.0063 -0.0055 -0.0248 87 TRP C CD1 6067 C CD2 . TRP C 20 ? 0.4422 0.4928 0.4500 0.0049 -0.0032 -0.0252 87 TRP C CD2 6068 N NE1 . TRP C 20 ? 0.4737 0.5239 0.4816 0.0056 -0.0059 -0.0237 87 TRP C NE1 6069 C CE2 . TRP C 20 ? 0.4185 0.4674 0.4245 0.0049 -0.0045 -0.0239 87 TRP C CE2 6070 C CE3 . TRP C 20 ? 0.4781 0.5276 0.4841 0.0041 -0.0017 -0.0256 87 TRP C CE3 6071 C CZ2 . TRP C 20 ? 0.3891 0.4355 0.3921 0.0041 -0.0045 -0.0231 87 TRP C CZ2 6072 C CZ3 . TRP C 20 ? 0.4816 0.5283 0.4843 0.0033 -0.0018 -0.0247 87 TRP C CZ3 6073 C CH2 . TRP C 20 ? 0.4379 0.4833 0.4393 0.0034 -0.0032 -0.0235 87 TRP C CH2 6074 N N . SER C 21 ? 0.4049 0.4657 0.4266 0.0101 -0.0009 -0.0303 88 SER C N 6075 C CA . SER C 21 ? 0.5620 0.6270 0.5878 0.0106 0.0002 -0.0318 88 SER C CA 6076 C C . SER C 21 ? 0.5494 0.6139 0.5743 0.0101 0.0026 -0.0331 88 SER C C 6077 O O . SER C 21 ? 0.6077 0.6727 0.6343 0.0117 0.0033 -0.0341 88 SER C O 6078 C CB . SER C 21 ? 0.5667 0.6334 0.5962 0.0132 -0.0011 -0.0322 88 SER C CB 6079 O OG . SER C 21 ? 0.5456 0.6084 0.5731 0.0147 -0.0015 -0.0321 88 SER C OG 6080 N N . LYS C 22 ? 0.5868 0.6501 0.6087 0.0079 0.0039 -0.0328 89 LYS C N 6081 C CA . LYS C 22 ? 0.5706 0.6334 0.5911 0.0069 0.0062 -0.0339 89 LYS C CA 6082 C C . LYS C 22 ? 0.5798 0.6441 0.5995 0.0044 0.0073 -0.0340 89 LYS C C 6083 O O . LYS C 22 ? 0.5704 0.6345 0.5891 0.0034 0.0061 -0.0329 89 LYS C O 6084 C CB . LYS C 22 ? 0.5906 0.6485 0.6067 0.0067 0.0063 -0.0333 89 LYS C CB 6085 C CG . LYS C 22 ? 0.6149 0.6708 0.6312 0.0089 0.0052 -0.0332 89 LYS C CG 6086 C CD . LYS C 22 ? 0.6813 0.7324 0.6931 0.0085 0.0052 -0.0326 89 LYS C CD 6087 C CE . LYS C 22 ? 0.7113 0.7603 0.7233 0.0107 0.0042 -0.0326 89 LYS C CE 6088 N NZ . LYS C 22 ? 0.7077 0.7522 0.7154 0.0101 0.0036 -0.0316 89 LYS C NZ 6089 N N . PRO C 23 ? 0.5237 0.5895 0.5439 0.0034 0.0095 -0.0354 90 PRO C N 6090 C CA . PRO C 23 ? 0.5123 0.5786 0.5307 0.0008 0.0106 -0.0354 90 PRO C CA 6091 C C . PRO C 23 ? 0.5230 0.5847 0.5361 -0.0005 0.0102 -0.0341 90 PRO C C 6092 O O . PRO C 23 ? 0.4909 0.5492 0.5017 0.0001 0.0097 -0.0336 90 PRO C O 6093 C CB . PRO C 23 ? 0.4618 0.5297 0.4810 0.0001 0.0133 -0.0372 90 PRO C CB 6094 C CG . PRO C 23 ? 0.5221 0.5881 0.5413 0.0020 0.0137 -0.0378 90 PRO C CG 6095 C CD . PRO C 23 ? 0.5350 0.6003 0.5555 0.0044 0.0113 -0.0368 90 PRO C CD 6096 N N . GLN C 24 ? 0.4910 0.5529 0.5025 -0.0026 0.0104 -0.0338 91 GLN C N 6097 C CA . GLN C 24 ? 0.4980 0.5559 0.5047 -0.0042 0.0103 -0.0328 91 GLN C CA 6098 C C . GLN C 24 ? 0.4954 0.5509 0.4990 -0.0053 0.0121 -0.0336 91 GLN C C 6099 O O . GLN C 24 ? 0.5243 0.5817 0.5289 -0.0062 0.0140 -0.0350 91 GLN C O 6100 C CB . GLN C 24 ? 0.4925 0.5515 0.4985 -0.0060 0.0101 -0.0325 91 GLN C CB 6101 C CG . GLN C 24 ? 0.5494 0.6046 0.5506 -0.0075 0.0098 -0.0314 91 GLN C CG 6102 C CD . GLN C 24 ? 0.6162 0.6723 0.6170 -0.0089 0.0092 -0.0309 91 GLN C CD 6103 O OE1 . GLN C 24 ? 0.6206 0.6770 0.6223 -0.0080 0.0076 -0.0300 91 GLN C OE1 6104 N NE2 . GLN C 24 ? 0.6001 0.6562 0.5992 -0.0110 0.0106 -0.0316 91 GLN C NE2 6105 N N . CYS C 25 ? 0.5553 0.6069 0.5554 -0.0054 0.0115 -0.0327 92 CYS C N 6106 C CA . CYS C 25 ? 0.6010 0.6496 0.5976 -0.0066 0.0129 -0.0333 92 CYS C CA 6107 C C . CYS C 25 ? 0.5665 0.6149 0.5608 -0.0090 0.0141 -0.0336 92 CYS C C 6108 O O . CYS C 25 ? 0.5838 0.6321 0.5772 -0.0099 0.0131 -0.0327 92 CYS C O 6109 C CB . CYS C 25 ? 0.6057 0.6502 0.5988 -0.0063 0.0117 -0.0320 92 CYS C CB 6110 S SG . CYS C 25 ? 0.6674 0.7113 0.6622 -0.0038 0.0102 -0.0315 92 CYS C SG 6111 N N . GLN C 26 ? 0.5391 0.5872 0.5322 -0.0103 0.0162 -0.0349 93 GLN C N 6112 C CA . GLN C 26 ? 0.5169 0.5638 0.5068 -0.0129 0.0173 -0.0352 93 GLN C CA 6113 C C . GLN C 26 ? 0.5364 0.5782 0.5210 -0.0139 0.0166 -0.0341 93 GLN C C 6114 O O . GLN C 26 ? 0.6492 0.6885 0.6319 -0.0136 0.0169 -0.0343 93 GLN C O 6115 C CB . GLN C 26 ? 0.5380 0.5865 0.5286 -0.0139 0.0200 -0.0371 93 GLN C CB 6116 C CG . GLN C 26 ? 0.5450 0.5990 0.5412 -0.0132 0.0209 -0.0382 93 GLN C CG 6117 C CD . GLN C 26 ? 0.5476 0.6041 0.5453 -0.0139 0.0198 -0.0376 93 GLN C CD 6118 O OE1 . GLN C 26 ? 0.6036 0.6597 0.5990 -0.0163 0.0205 -0.0377 93 GLN C OE1 6119 N NE2 . GLN C 26 ? 0.5463 0.6047 0.5472 -0.0120 0.0180 -0.0368 93 GLN C NE2 6120 N N . ILE C 27 ? 0.5094 0.5496 0.4914 -0.0151 0.0156 -0.0331 94 ILE C N 6121 C CA . ILE C 27 ? 0.5064 0.5419 0.4837 -0.0157 0.0144 -0.0320 94 ILE C CA 6122 C C . ILE C 27 ? 0.5195 0.5525 0.4925 -0.0183 0.0152 -0.0321 94 ILE C C 6123 O O . ILE C 27 ? 0.4925 0.5272 0.4660 -0.0196 0.0161 -0.0327 94 ILE C O 6124 C CB . ILE C 27 ? 0.4948 0.5301 0.4726 -0.0144 0.0120 -0.0303 94 ILE C CB 6125 C CG1 . ILE C 27 ? 0.5027 0.5393 0.4809 -0.0151 0.0116 -0.0300 94 ILE C CG1 6126 C CG2 . ILE C 27 ? 0.4773 0.5147 0.4590 -0.0120 0.0111 -0.0301 94 ILE C CG2 6127 C CD1 . ILE C 27 ? 0.5204 0.5559 0.4981 -0.0141 0.0095 -0.0285 94 ILE C CD1 6128 N N . THR C 28 ? 0.5505 0.5792 0.5191 -0.0190 0.0145 -0.0314 95 THR C N 6129 C CA . THR C 28 ? 0.5589 0.5841 0.5224 -0.0214 0.0148 -0.0313 95 THR C CA 6130 C C . THR C 28 ? 0.5732 0.5959 0.5343 -0.0212 0.0126 -0.0297 95 THR C C 6131 O O . THR C 28 ? 0.5320 0.5512 0.4886 -0.0229 0.0124 -0.0294 95 THR C O 6132 C CB . THR C 28 ? 0.6441 0.6657 0.6037 -0.0225 0.0156 -0.0317 95 THR C CB 6133 O OG1 . THR C 28 ? 0.7198 0.7398 0.6793 -0.0209 0.0140 -0.0307 95 THR C OG1 6134 C CG2 . THR C 28 ? 0.6817 0.7055 0.6433 -0.0229 0.0181 -0.0334 95 THR C CG2 6135 N N . GLY C 29 ? 0.5552 0.5793 0.5190 -0.0190 0.0110 -0.0287 96 GLY C N 6136 C CA . GLY C 29 ? 0.5033 0.5251 0.4652 -0.0184 0.0089 -0.0272 96 GLY C CA 6137 C C . GLY C 29 ? 0.5066 0.5295 0.4711 -0.0161 0.0075 -0.0264 96 GLY C C 6138 O O . GLY C 29 ? 0.5198 0.5456 0.4881 -0.0150 0.0080 -0.0269 96 GLY C O 6139 N N . PHE C 30 ? 0.4625 0.4832 0.4252 -0.0156 0.0058 -0.0252 97 PHE C N 6140 C CA . PHE C 30 ? 0.4503 0.4721 0.4153 -0.0137 0.0044 -0.0243 97 PHE C CA 6141 C C . PHE C 30 ? 0.5206 0.5396 0.4830 -0.0137 0.0033 -0.0235 97 PHE C C 6142 O O . PHE C 30 ? 0.4821 0.4980 0.4407 -0.0148 0.0028 -0.0232 97 PHE C O 6143 C CB . PHE C 30 ? 0.4809 0.5039 0.4472 -0.0126 0.0032 -0.0234 97 PHE C CB 6144 C CG . PHE C 30 ? 0.4676 0.4934 0.4365 -0.0126 0.0040 -0.0241 97 PHE C CG 6145 C CD1 . PHE C 30 ? 0.4424 0.4714 0.4153 -0.0113 0.0041 -0.0243 97 PHE C CD1 6146 C CD2 . PHE C 30 ? 0.4441 0.4691 0.4112 -0.0141 0.0047 -0.0245 97 PHE C CD2 6147 C CE1 . PHE C 30 ? 0.4112 0.4429 0.3866 -0.0113 0.0047 -0.0248 97 PHE C CE1 6148 C CE2 . PHE C 30 ? 0.4674 0.4952 0.4369 -0.0143 0.0054 -0.0251 97 PHE C CE2 6149 C CZ . PHE C 30 ? 0.4444 0.4757 0.4182 -0.0128 0.0054 -0.0252 97 PHE C CZ 6150 N N . ALA C 31 ? 0.4854 0.5055 0.4497 -0.0126 0.0027 -0.0232 98 ALA C N 6151 C CA . ALA C 31 ? 0.4414 0.4594 0.4039 -0.0126 0.0016 -0.0225 98 ALA C CA 6152 C C . ALA C 31 ? 0.4862 0.5057 0.4508 -0.0110 0.0000 -0.0213 98 ALA C C 6153 O O . ALA C 31 ? 0.4804 0.5026 0.4483 -0.0098 0.0000 -0.0213 98 ALA C O 6154 C CB . ALA C 31 ? 0.4835 0.5010 0.4458 -0.0129 0.0025 -0.0232 98 ALA C CB 6155 N N . PRO C 32 ? 0.4677 0.4855 0.4304 -0.0110 -0.0015 -0.0204 99 PRO C N 6156 C CA . PRO C 32 ? 0.4687 0.4880 0.4334 -0.0097 -0.0029 -0.0194 99 PRO C CA 6157 C C . PRO C 32 ? 0.5034 0.5246 0.4707 -0.0089 -0.0028 -0.0194 99 PRO C C 6158 O O . PRO C 32 ? 0.5484 0.5687 0.5149 -0.0096 -0.0022 -0.0199 99 PRO C O 6159 C CB . PRO C 32 ? 0.4606 0.4775 0.4225 -0.0102 -0.0043 -0.0186 99 PRO C CB 6160 C CG . PRO C 32 ? 0.4520 0.4658 0.4102 -0.0116 -0.0038 -0.0190 99 PRO C CG 6161 C CD . PRO C 32 ? 0.4406 0.4550 0.3994 -0.0124 -0.0018 -0.0203 99 PRO C CD 6162 N N . PHE C 33 ? 0.4810 0.5047 0.4512 -0.0077 -0.0033 -0.0190 100 PHE C N 6163 C CA . PHE C 33 ? 0.4843 0.5096 0.4567 -0.0070 -0.0033 -0.0190 100 PHE C CA 6164 C C . PHE C 33 ? 0.4679 0.4944 0.4415 -0.0063 -0.0046 -0.0180 100 PHE C C 6165 O O . PHE C 33 ? 0.6374 0.6640 0.6112 -0.0064 -0.0050 -0.0177 100 PHE C O 6166 C CB . PHE C 33 ? 0.4871 0.5144 0.4619 -0.0063 -0.0024 -0.0196 100 PHE C CB 6167 C CG . PHE C 33 ? 0.4452 0.4737 0.4221 -0.0056 -0.0022 -0.0198 100 PHE C CG 6168 C CD1 . PHE C 33 ? 0.5383 0.5657 0.5144 -0.0060 -0.0019 -0.0201 100 PHE C CD1 6169 C CD2 . PHE C 33 ? 0.5010 0.5316 0.4803 -0.0046 -0.0024 -0.0196 100 PHE C CD2 6170 C CE1 . PHE C 33 ? 0.5319 0.5599 0.5095 -0.0053 -0.0018 -0.0203 100 PHE C CE1 6171 C CE2 . PHE C 33 ? 0.5548 0.5861 0.5357 -0.0040 -0.0025 -0.0197 100 PHE C CE2 6172 C CZ . PHE C 33 ? 0.5630 0.5931 0.5431 -0.0042 -0.0022 -0.0201 100 PHE C CZ 6173 N N . SER C 34 ? 0.4956 0.5233 0.4702 -0.0055 -0.0052 -0.0174 101 SER C N 6174 C CA . SER C 34 ? 0.4609 0.4902 0.4370 -0.0048 -0.0062 -0.0166 101 SER C CA 6175 C C . SER C 34 ? 0.4575 0.4872 0.4336 -0.0042 -0.0069 -0.0160 101 SER C C 6176 O O . SER C 34 ? 0.4731 0.5020 0.4484 -0.0040 -0.0065 -0.0163 101 SER C O 6177 C CB . SER C 34 ? 0.5172 0.5484 0.4957 -0.0041 -0.0058 -0.0167 101 SER C CB 6178 O OG . SER C 34 ? 0.5369 0.5696 0.5166 -0.0038 -0.0066 -0.0160 101 SER C OG 6179 N N . LYS C 35 ? 0.4588 0.4895 0.4356 -0.0038 -0.0079 -0.0153 102 LYS C N 6180 C CA . LYS C 35 ? 0.4934 0.5247 0.4705 -0.0028 -0.0087 -0.0148 102 LYS C CA 6181 C C . LYS C 35 ? 0.4866 0.5205 0.4661 -0.0022 -0.0092 -0.0142 102 LYS C C 6182 O O . LYS C 35 ? 0.5341 0.5686 0.5139 -0.0029 -0.0097 -0.0139 102 LYS C O 6183 C CB . LYS C 35 ? 0.5059 0.5352 0.4808 -0.0032 -0.0096 -0.0145 102 LYS C CB 6184 C CG . LYS C 35 ? 0.5101 0.5391 0.4847 -0.0021 -0.0103 -0.0141 102 LYS C CG 6185 C CD . LYS C 35 ? 0.5184 0.5449 0.4904 -0.0025 -0.0114 -0.0138 102 LYS C CD 6186 C CE . LYS C 35 ? 0.5374 0.5629 0.5085 -0.0013 -0.0120 -0.0135 102 LYS C CE 6187 N NZ . LYS C 35 ? 0.5768 0.6051 0.5507 0.0002 -0.0127 -0.0130 102 LYS C NZ 6188 N N . ASP C 36 ? 0.5143 0.5499 0.4954 -0.0011 -0.0092 -0.0140 103 ASP C N 6189 C CA . ASP C 36 ? 0.5562 0.5944 0.5395 -0.0008 -0.0095 -0.0136 103 ASP C CA 6190 C C . ASP C 36 ? 0.4896 0.5294 0.4739 0.0000 -0.0105 -0.0130 103 ASP C C 6191 O O . ASP C 36 ? 0.5353 0.5774 0.5214 -0.0001 -0.0109 -0.0126 103 ASP C O 6192 C CB . ASP C 36 ? 0.7064 0.7459 0.6911 -0.0004 -0.0086 -0.0138 103 ASP C CB 6193 C CG . ASP C 36 ? 0.7586 0.7984 0.7437 0.0007 -0.0083 -0.0138 103 ASP C CG 6194 O OD1 . ASP C 36 ? 0.8261 0.8646 0.8099 0.0011 -0.0087 -0.0138 103 ASP C OD1 6195 O OD2 . ASP C 36 ? 0.9081 0.9491 0.8943 0.0010 -0.0077 -0.0139 103 ASP C OD2 6196 N N . ASN C 37 ? 0.4319 0.4702 0.4150 0.0006 -0.0111 -0.0129 104 ASN C N 6197 C CA . ASN C 37 ? 0.4324 0.4721 0.4166 0.0016 -0.0122 -0.0124 104 ASN C CA 6198 C C . ASN C 37 ? 0.4807 0.5236 0.4677 0.0028 -0.0119 -0.0122 104 ASN C C 6199 O O . ASN C 37 ? 0.4459 0.4911 0.4347 0.0033 -0.0127 -0.0118 104 ASN C O 6200 C CB . ASN C 37 ? 0.4486 0.4886 0.4326 0.0006 -0.0134 -0.0119 104 ASN C CB 6201 C CG . ASN C 37 ? 0.4594 0.4958 0.4401 -0.0002 -0.0138 -0.0120 104 ASN C CG 6202 O OD1 . ASN C 37 ? 0.5072 0.5414 0.4861 0.0002 -0.0143 -0.0120 104 ASN C OD1 6203 N ND2 . ASN C 37 ? 0.4678 0.5034 0.4476 -0.0017 -0.0138 -0.0121 104 ASN C ND2 6204 N N . SER C 38 ? 0.4349 0.4782 0.4224 0.0031 -0.0106 -0.0126 105 SER C N 6205 C CA . SER C 38 ? 0.4838 0.5299 0.4737 0.0039 -0.0101 -0.0126 105 SER C CA 6206 C C . SER C 38 ? 0.4542 0.5018 0.4454 0.0055 -0.0106 -0.0124 105 SER C C 6207 O O . SER C 38 ? 0.4419 0.4928 0.4356 0.0059 -0.0106 -0.0122 105 SER C O 6208 C CB . SER C 38 ? 0.4799 0.5253 0.4693 0.0042 -0.0088 -0.0131 105 SER C CB 6209 O OG . SER C 38 ? 0.6925 0.7367 0.6810 0.0029 -0.0084 -0.0133 105 SER C OG 6210 N N . ILE C 39 ? 0.4331 0.4782 0.4224 0.0065 -0.0110 -0.0125 106 ILE C N 6211 C CA . ILE C 39 ? 0.4871 0.5331 0.4775 0.0084 -0.0114 -0.0124 106 ILE C CA 6212 C C . ILE C 39 ? 0.4659 0.5137 0.4578 0.0087 -0.0130 -0.0119 106 ILE C C 6213 O O . ILE C 39 ? 0.4586 0.5097 0.4533 0.0098 -0.0132 -0.0117 106 ILE C O 6214 C CB . ILE C 39 ? 0.5323 0.5746 0.5199 0.0094 -0.0115 -0.0126 106 ILE C CB 6215 C CG1 . ILE C 39 ? 0.5343 0.5748 0.5203 0.0089 -0.0101 -0.0131 106 ILE C CG1 6216 C CG2 . ILE C 39 ? 0.4968 0.5400 0.4855 0.0116 -0.0118 -0.0126 106 ILE C CG2 6217 C CD1 . ILE C 39 ? 0.5516 0.5947 0.5398 0.0092 -0.0089 -0.0133 106 ILE C CD1 6218 N N . ARG C 40 ? 0.4664 0.5121 0.4563 0.0076 -0.0141 -0.0116 107 ARG C N 6219 C CA . ARG C 40 ? 0.4683 0.5155 0.4593 0.0075 -0.0157 -0.0110 107 ARG C CA 6220 C C . ARG C 40 ? 0.5150 0.5668 0.5095 0.0068 -0.0155 -0.0108 107 ARG C C 6221 O O . ARG C 40 ? 0.4391 0.4942 0.4363 0.0076 -0.0163 -0.0105 107 ARG C O 6222 C CB . ARG C 40 ? 0.4514 0.4955 0.4395 0.0059 -0.0166 -0.0108 107 ARG C CB 6223 C CG . ARG C 40 ? 0.4468 0.4868 0.4316 0.0065 -0.0173 -0.0108 107 ARG C CG 6224 C CD . ARG C 40 ? 0.4655 0.5020 0.4470 0.0047 -0.0176 -0.0108 107 ARG C CD 6225 N NE . ARG C 40 ? 0.4198 0.4573 0.4017 0.0037 -0.0191 -0.0102 107 ARG C NE 6226 C CZ . ARG C 40 ? 0.4103 0.4466 0.3911 0.0041 -0.0210 -0.0097 107 ARG C CZ 6227 N NH1 . ARG C 40 ? 0.4497 0.4869 0.4308 0.0030 -0.0223 -0.0092 107 ARG C NH1 6228 N NH2 . ARG C 40 ? 0.4285 0.4624 0.4077 0.0055 -0.0216 -0.0097 107 ARG C NH2 6229 N N . LEU C 41 ? 0.4791 0.5312 0.4735 0.0053 -0.0143 -0.0110 108 LEU C N 6230 C CA . LEU C 41 ? 0.4816 0.5376 0.4788 0.0045 -0.0140 -0.0109 108 LEU C CA 6231 C C . LEU C 41 ? 0.4876 0.5471 0.4877 0.0058 -0.0131 -0.0111 108 LEU C C 6232 O O . LEU C 41 ? 0.5287 0.5920 0.5316 0.0055 -0.0133 -0.0109 108 LEU C O 6233 C CB . LEU C 41 ? 0.4614 0.5161 0.4572 0.0027 -0.0131 -0.0111 108 LEU C CB 6234 C CG . LEU C 41 ? 0.4559 0.5077 0.4491 0.0012 -0.0138 -0.0110 108 LEU C CG 6235 C CD1 . LEU C 41 ? 0.4485 0.4987 0.4404 0.0001 -0.0127 -0.0113 108 LEU C CD1 6236 C CD2 . LEU C 41 ? 0.4950 0.5483 0.4889 0.0001 -0.0151 -0.0104 108 LEU C CD2 6237 N N . SER C 42 ? 0.4911 0.5492 0.4905 0.0071 -0.0121 -0.0116 109 SER C N 6238 C CA . SER C 42 ? 0.4832 0.5440 0.4848 0.0083 -0.0110 -0.0119 109 SER C CA 6239 C C . SER C 42 ? 0.5148 0.5788 0.5193 0.0099 -0.0117 -0.0117 109 SER C C 6240 O O . SER C 42 ? 0.6024 0.6699 0.6096 0.0106 -0.0109 -0.0120 109 SER C O 6241 C CB . SER C 42 ? 0.5246 0.5824 0.5242 0.0094 -0.0099 -0.0124 109 SER C CB 6242 O OG . SER C 42 ? 0.5755 0.6312 0.5732 0.0079 -0.0090 -0.0126 109 SER C OG 6243 N N . ALA C 43 ? 0.5312 0.5940 0.5351 0.0105 -0.0134 -0.0113 110 ALA C N 6244 C CA . ALA C 43 ? 0.4818 0.5476 0.4885 0.0121 -0.0146 -0.0111 110 ALA C CA 6245 C C . ALA C 43 ? 0.5203 0.5905 0.5300 0.0110 -0.0154 -0.0107 110 ALA C C 6246 O O . ALA C 43 ? 0.5382 0.6116 0.5507 0.0122 -0.0165 -0.0105 110 ALA C O 6247 C CB . ALA C 43 ? 0.5122 0.5744 0.5165 0.0131 -0.0164 -0.0108 110 ALA C CB 6248 N N . GLY C 44 ? 0.5476 0.6181 0.5568 0.0086 -0.0150 -0.0106 111 GLY C N 6249 C CA . GLY C 44 ? 0.5795 0.6542 0.5914 0.0072 -0.0156 -0.0102 111 GLY C CA 6250 C C . GLY C 44 ? 0.6060 0.6809 0.6171 0.0049 -0.0144 -0.0103 111 GLY C C 6251 O O . GLY C 44 ? 0.7178 0.7922 0.7279 0.0028 -0.0151 -0.0099 111 GLY C O 6252 N N . GLY C 45 ? 0.5997 0.6747 0.6109 0.0051 -0.0126 -0.0108 112 GLY C N 6253 C CA . GLY C 45 ? 0.5703 0.6448 0.5804 0.0032 -0.0114 -0.0109 112 GLY C CA 6254 C C . GLY C 45 ? 0.5041 0.5773 0.5133 0.0039 -0.0096 -0.0115 112 GLY C C 6255 O O . GLY C 45 ? 0.5492 0.6209 0.5580 0.0059 -0.0093 -0.0118 112 GLY C O 6256 N N . ASP C 46 ? 0.5038 0.5775 0.5127 0.0023 -0.0085 -0.0116 113 ASP C N 6257 C CA . ASP C 46 ? 0.5224 0.5948 0.5302 0.0026 -0.0068 -0.0121 113 ASP C CA 6258 C C . ASP C 46 ? 0.4941 0.5618 0.4985 0.0022 -0.0068 -0.0122 113 ASP C C 6259 O O . ASP C 46 ? 0.5129 0.5793 0.5159 0.0005 -0.0070 -0.0120 113 ASP C O 6260 C CB . ASP C 46 ? 0.5466 0.6218 0.5556 0.0011 -0.0058 -0.0122 113 ASP C CB 6261 C CG . ASP C 46 ? 0.5918 0.6723 0.6046 0.0014 -0.0058 -0.0122 113 ASP C CG 6262 O OD1 . ASP C 46 ? 0.6315 0.7137 0.6462 0.0035 -0.0055 -0.0125 113 ASP C OD1 6263 O OD2 . ASP C 46 ? 0.7181 0.8011 0.7320 -0.0004 -0.0062 -0.0119 113 ASP C OD2 6264 N N . ILE C 47 ? 0.4300 0.4953 0.4333 0.0037 -0.0066 -0.0125 114 ILE C N 6265 C CA . ILE C 47 ? 0.4507 0.5119 0.4511 0.0035 -0.0066 -0.0126 114 ILE C CA 6266 C C . ILE C 47 ? 0.4278 0.4877 0.4273 0.0045 -0.0054 -0.0131 114 ILE C C 6267 O O . ILE C 47 ? 0.4408 0.5016 0.4411 0.0060 -0.0050 -0.0133 114 ILE C O 6268 C CB . ILE C 47 ? 0.4698 0.5290 0.4691 0.0043 -0.0078 -0.0124 114 ILE C CB 6269 C CG1 . ILE C 47 ? 0.4907 0.5507 0.4904 0.0032 -0.0091 -0.0120 114 ILE C CG1 6270 C CG2 . ILE C 47 ? 0.4290 0.4842 0.4255 0.0041 -0.0076 -0.0127 114 ILE C CG2 6271 C CD1 . ILE C 47 ? 0.5310 0.5896 0.5293 0.0013 -0.0092 -0.0119 114 ILE C CD1 6272 N N . TRP C 48 ? 0.3987 0.4561 0.3961 0.0036 -0.0050 -0.0132 115 TRP C N 6273 C CA . TRP C 48 ? 0.4032 0.4590 0.3994 0.0042 -0.0040 -0.0136 115 TRP C CA 6274 C C . TRP C 48 ? 0.4096 0.4633 0.4047 0.0057 -0.0041 -0.0138 115 TRP C C 6275 O O . TRP C 48 ? 0.4212 0.4734 0.4155 0.0058 -0.0050 -0.0137 115 TRP C O 6276 C CB . TRP C 48 ? 0.4380 0.4914 0.4323 0.0030 -0.0039 -0.0136 115 TRP C CB 6277 C CG . TRP C 48 ? 0.4625 0.5169 0.4570 0.0017 -0.0034 -0.0135 115 TRP C CG 6278 C CD1 . TRP C 48 ? 0.4590 0.5143 0.4539 0.0004 -0.0039 -0.0132 115 TRP C CD1 6279 C CD2 . TRP C 48 ? 0.4799 0.5341 0.4737 0.0014 -0.0024 -0.0137 115 TRP C CD2 6280 N NE1 . TRP C 48 ? 0.4424 0.4981 0.4369 -0.0006 -0.0033 -0.0132 115 TRP C NE1 6281 C CE2 . TRP C 48 ? 0.4700 0.5251 0.4639 0.0000 -0.0024 -0.0135 115 TRP C CE2 6282 C CE3 . TRP C 48 ? 0.4789 0.5321 0.4718 0.0023 -0.0016 -0.0141 115 TRP C CE3 6283 C CZ2 . TRP C 48 ? 0.4915 0.5463 0.4844 -0.0008 -0.0015 -0.0136 115 TRP C CZ2 6284 C CZ3 . TRP C 48 ? 0.4675 0.5205 0.4595 0.0015 -0.0007 -0.0142 115 TRP C CZ3 6285 C CH2 . TRP C 48 ? 0.4830 0.5368 0.4750 0.0000 -0.0007 -0.0139 115 TRP C CH2 6286 N N . VAL C 49 ? 0.4213 0.4748 0.4160 0.0067 -0.0032 -0.0141 116 VAL C N 6287 C CA . VAL C 49 ? 0.4418 0.4924 0.4346 0.0078 -0.0032 -0.0144 116 VAL C CA 6288 C C . VAL C 49 ? 0.4746 0.5225 0.4652 0.0068 -0.0030 -0.0145 116 VAL C C 6289 O O . VAL C 49 ? 0.4290 0.4771 0.4194 0.0060 -0.0023 -0.0145 116 VAL C O 6290 C CB . VAL C 49 ? 0.4805 0.5316 0.4736 0.0093 -0.0023 -0.0147 116 VAL C CB 6291 C CG1 . VAL C 49 ? 0.5193 0.5668 0.5097 0.0101 -0.0022 -0.0150 116 VAL C CG1 6292 C CG2 . VAL C 49 ? 0.4693 0.5231 0.4648 0.0106 -0.0026 -0.0146 116 VAL C CG2 6293 N N . THR C 50 ? 0.5210 0.5664 0.5099 0.0068 -0.0035 -0.0145 117 THR C N 6294 C CA . THR C 50 ? 0.4877 0.5310 0.4749 0.0059 -0.0035 -0.0147 117 THR C CA 6295 C C . THR C 50 ? 0.4663 0.5067 0.4512 0.0062 -0.0036 -0.0149 117 THR C C 6296 O O . THR C 50 ? 0.4655 0.5051 0.4499 0.0073 -0.0039 -0.0149 117 THR C O 6297 C CB . THR C 50 ? 0.5860 0.6294 0.5736 0.0047 -0.0041 -0.0145 117 THR C CB 6298 O OG1 . THR C 50 ? 0.5738 0.6164 0.5610 0.0049 -0.0048 -0.0144 117 THR C OG1 6299 C CG2 . THR C 50 ? 0.5768 0.6224 0.5660 0.0040 -0.0042 -0.0142 117 THR C CG2 6300 N N . ARG C 51 ? 0.4591 0.4980 0.4428 0.0053 -0.0034 -0.0150 118 ARG C N 6301 C CA . ARG C 51 ? 0.4576 0.4939 0.4392 0.0051 -0.0036 -0.0153 118 ARG C CA 6302 C C . ARG C 51 ? 0.4367 0.4727 0.4182 0.0038 -0.0036 -0.0154 118 ARG C C 6303 O O . ARG C 51 ? 0.4205 0.4578 0.4030 0.0034 -0.0035 -0.0153 118 ARG C O 6304 C CB . ARG C 51 ? 0.4886 0.5228 0.4682 0.0059 -0.0032 -0.0154 118 ARG C CB 6305 C CG . ARG C 51 ? 0.5424 0.5755 0.5211 0.0070 -0.0036 -0.0154 118 ARG C CG 6306 C CD . ARG C 51 ? 0.5271 0.5567 0.5026 0.0072 -0.0035 -0.0156 118 ARG C CD 6307 N NE . ARG C 51 ? 0.5716 0.5998 0.5458 0.0057 -0.0037 -0.0158 118 ARG C NE 6308 C CZ . ARG C 51 ? 0.5487 0.5747 0.5206 0.0050 -0.0035 -0.0160 118 ARG C CZ 6309 N NH1 . ARG C 51 ? 0.5465 0.5707 0.5165 0.0057 -0.0031 -0.0161 118 ARG C NH1 6310 N NH2 . ARG C 51 ? 0.5402 0.5656 0.5114 0.0036 -0.0036 -0.0162 118 ARG C NH2 6311 N N . GLU C 52 ? 0.4523 0.4866 0.4323 0.0033 -0.0037 -0.0156 119 GLU C N 6312 C CA . GLU C 52 ? 0.4374 0.4716 0.4174 0.0022 -0.0038 -0.0159 119 GLU C CA 6313 C C . GLU C 52 ? 0.4373 0.4731 0.4192 0.0018 -0.0040 -0.0158 119 GLU C C 6314 O O . GLU C 52 ? 0.4668 0.5035 0.4496 0.0014 -0.0041 -0.0158 119 GLU C O 6315 C CB . GLU C 52 ? 0.4811 0.5148 0.4604 0.0021 -0.0035 -0.0159 119 GLU C CB 6316 C CG . GLU C 52 ? 0.4622 0.4938 0.4391 0.0023 -0.0032 -0.0160 119 GLU C CG 6317 C CD . GLU C 52 ? 0.5091 0.5404 0.4856 0.0035 -0.0027 -0.0159 119 GLU C CD 6318 O OE1 . GLU C 52 ? 0.5030 0.5361 0.4810 0.0039 -0.0025 -0.0157 119 GLU C OE1 6319 O OE2 . GLU C 52 ? 0.5858 0.6150 0.5602 0.0041 -0.0026 -0.0160 119 GLU C OE2 6320 N N . PRO C 53 ? 0.4470 0.4831 0.4293 0.0018 -0.0043 -0.0158 120 PRO C N 6321 C CA . PRO C 53 ? 0.4478 0.4850 0.4315 0.0013 -0.0045 -0.0158 120 PRO C CA 6322 C C . PRO C 53 ? 0.4393 0.4762 0.4230 0.0005 -0.0044 -0.0162 120 PRO C C 6323 O O . PRO C 53 ? 0.4290 0.4648 0.4115 0.0002 -0.0042 -0.0165 120 PRO C O 6324 C CB . PRO C 53 ? 0.3948 0.4320 0.3783 0.0014 -0.0048 -0.0156 120 PRO C CB 6325 C CG . PRO C 53 ? 0.4195 0.4549 0.4012 0.0016 -0.0048 -0.0158 120 PRO C CG 6326 C CD . PRO C 53 ? 0.4373 0.4721 0.4183 0.0021 -0.0045 -0.0158 120 PRO C CD 6327 N N . TYR C 54 ? 0.4061 0.4439 0.3911 0.0003 -0.0046 -0.0163 121 TYR C N 6328 C CA . TYR C 54 ? 0.3990 0.4367 0.3843 -0.0002 -0.0044 -0.0168 121 TYR C CA 6329 C C . TYR C 54 ? 0.4267 0.4650 0.4131 -0.0003 -0.0046 -0.0169 121 TYR C C 6330 O O . TYR C 54 ? 0.4494 0.4881 0.4360 -0.0001 -0.0049 -0.0164 121 TYR C O 6331 C CB . TYR C 54 ? 0.3822 0.4203 0.3681 -0.0004 -0.0044 -0.0171 121 TYR C CB 6332 C CG . TYR C 54 ? 0.3936 0.4322 0.3802 -0.0001 -0.0048 -0.0168 121 TYR C CG 6333 C CD1 . TYR C 54 ? 0.3972 0.4355 0.3830 0.0001 -0.0048 -0.0164 121 TYR C CD1 6334 C CD2 . TYR C 54 ? 0.4030 0.4422 0.3909 0.0000 -0.0052 -0.0169 121 TYR C CD2 6335 C CE1 . TYR C 54 ? 0.4224 0.4609 0.4085 0.0001 -0.0052 -0.0161 121 TYR C CE1 6336 C CE2 . TYR C 54 ? 0.4566 0.4959 0.4447 0.0000 -0.0057 -0.0166 121 TYR C CE2 6337 C CZ . TYR C 54 ? 0.4782 0.5171 0.4654 0.0001 -0.0056 -0.0162 121 TYR C CZ 6338 O OH . TYR C 54 ? 0.4307 0.4694 0.4176 0.0000 -0.0061 -0.0158 121 TYR C OH 6339 N N . VAL C 55 ? 0.4641 0.5024 0.4509 -0.0006 -0.0044 -0.0174 122 VAL C N 6340 C CA . VAL C 55 ? 0.4517 0.4901 0.4392 -0.0006 -0.0044 -0.0176 122 VAL C CA 6341 C C . VAL C 55 ? 0.4514 0.4904 0.4402 -0.0004 -0.0044 -0.0181 122 VAL C C 6342 O O . VAL C 55 ? 0.4796 0.5191 0.4689 -0.0006 -0.0042 -0.0185 122 VAL C O 6343 C CB . VAL C 55 ? 0.4588 0.4963 0.4452 -0.0011 -0.0041 -0.0179 122 VAL C CB 6344 C CG1 . VAL C 55 ? 0.4500 0.4873 0.4368 -0.0012 -0.0040 -0.0182 122 VAL C CG1 6345 C CG2 . VAL C 55 ? 0.4342 0.4711 0.4194 -0.0012 -0.0043 -0.0174 122 VAL C CG2 6346 N N . SER C 56 ? 0.4913 0.5302 0.4807 -0.0001 -0.0048 -0.0180 123 SER C N 6347 C CA . SER C 56 ? 0.4981 0.5375 0.4889 0.0002 -0.0050 -0.0185 123 SER C CA 6348 C C . SER C 56 ? 0.5079 0.5463 0.4985 0.0004 -0.0052 -0.0185 123 SER C C 6349 O O . SER C 56 ? 0.4498 0.4875 0.4394 0.0001 -0.0055 -0.0179 123 SER C O 6350 C CB . SER C 56 ? 0.5676 0.6074 0.5590 0.0005 -0.0056 -0.0182 123 SER C CB 6351 O OG . SER C 56 ? 0.5338 0.5741 0.5267 0.0011 -0.0060 -0.0186 123 SER C OG 6352 N N . CYS C 57 ? 0.5586 0.5970 0.5501 0.0008 -0.0050 -0.0192 124 CYS C N 6353 C CA . CYS C 57 ? 0.6039 0.6409 0.5949 0.0011 -0.0051 -0.0194 124 CYS C CA 6354 C C . CYS C 57 ? 0.5590 0.5958 0.5510 0.0020 -0.0058 -0.0195 124 CYS C C 6355 O O . CYS C 57 ? 0.5605 0.5985 0.5542 0.0026 -0.0058 -0.0200 124 CYS C O 6356 C CB . CYS C 57 ? 0.5833 0.6200 0.5741 0.0009 -0.0041 -0.0202 124 CYS C CB 6357 S SG . CYS C 57 ? 0.6965 0.7330 0.6857 -0.0002 -0.0034 -0.0201 124 CYS C SG 6358 N N . SER C 58 ? 0.5347 0.5699 0.5256 0.0021 -0.0065 -0.0190 125 SER C N 6359 C CA . SER C 58 ? 0.5784 0.6125 0.5696 0.0030 -0.0072 -0.0192 125 SER C CA 6360 C C . SER C 58 ? 0.6031 0.6364 0.5944 0.0035 -0.0065 -0.0202 125 SER C C 6361 O O . SER C 58 ? 0.5867 0.6203 0.5777 0.0029 -0.0055 -0.0205 125 SER C O 6362 C CB . SER C 58 ? 0.5717 0.6038 0.5609 0.0026 -0.0081 -0.0185 125 SER C CB 6363 O OG . SER C 58 ? 0.5164 0.5472 0.5039 0.0019 -0.0077 -0.0183 125 SER C OG 6364 N N . PRO C 59 ? 0.6149 0.6470 0.6066 0.0046 -0.0069 -0.0206 126 PRO C N 6365 C CA . PRO C 59 ? 0.6341 0.6655 0.6259 0.0051 -0.0060 -0.0216 126 PRO C CA 6366 C C . PRO C 59 ? 0.6305 0.6595 0.6195 0.0042 -0.0057 -0.0213 126 PRO C C 6367 O O . PRO C 59 ? 0.6178 0.6463 0.6063 0.0040 -0.0047 -0.0220 126 PRO C O 6368 C CB . PRO C 59 ? 0.5412 0.5717 0.5339 0.0067 -0.0069 -0.0220 126 PRO C CB 6369 C CG . PRO C 59 ? 0.6281 0.6601 0.6223 0.0071 -0.0079 -0.0215 126 PRO C CG 6370 C CD . PRO C 59 ? 0.6026 0.6347 0.5953 0.0056 -0.0081 -0.0204 126 PRO C CD 6371 N N . GLY C 60 ? 0.6317 0.6594 0.6189 0.0034 -0.0066 -0.0203 127 GLY C N 6372 C CA . GLY C 60 ? 0.6903 0.7160 0.6749 0.0022 -0.0065 -0.0199 127 GLY C CA 6373 C C . GLY C 60 ? 0.7310 0.7578 0.7150 0.0009 -0.0061 -0.0195 127 GLY C C 6374 O O . GLY C 60 ? 0.7629 0.7885 0.7453 0.0001 -0.0057 -0.0196 127 GLY C O 6375 N N . LYS C 61 ? 0.8422 0.8712 0.8274 0.0007 -0.0062 -0.0190 128 LYS C N 6376 C CA . LYS C 61 ? 0.7374 0.7675 0.7223 -0.0002 -0.0059 -0.0187 128 LYS C CA 6377 C C . LYS C 61 ? 0.6559 0.6882 0.6422 -0.0001 -0.0058 -0.0184 128 LYS C C 6378 O O . LYS C 61 ? 0.6386 0.6718 0.6261 0.0004 -0.0061 -0.0184 128 LYS C O 6379 C CB . LYS C 61 ? 0.8575 0.8867 0.8407 -0.0013 -0.0065 -0.0178 128 LYS C CB 6380 C CG . LYS C 61 ? 0.9187 0.9486 0.9021 -0.0015 -0.0072 -0.0170 128 LYS C CG 6381 C CD . LYS C 61 ? 1.0888 1.1173 1.0703 -0.0025 -0.0078 -0.0164 128 LYS C CD 6382 C CE . LYS C 61 ? 1.0898 1.1174 1.0698 -0.0034 -0.0076 -0.0164 128 LYS C CE 6383 N NZ . LYS C 61 ? 1.1818 1.2077 1.1599 -0.0045 -0.0082 -0.0159 128 LYS C NZ 6384 N N . CYS C 62 ? 0.5476 0.5805 0.5334 -0.0008 -0.0054 -0.0183 129 CYS C N 6385 C CA . CYS C 62 ? 0.5636 0.5981 0.5502 -0.0009 -0.0052 -0.0180 129 CYS C CA 6386 C C . CYS C 62 ? 0.5079 0.5432 0.4943 -0.0012 -0.0058 -0.0172 129 CYS C C 6387 O O . CYS C 62 ? 0.4800 0.5148 0.4654 -0.0018 -0.0062 -0.0167 129 CYS C O 6388 C CB . CYS C 62 ? 0.5865 0.6209 0.5725 -0.0013 -0.0046 -0.0184 129 CYS C CB 6389 S SG . CYS C 62 ? 0.7155 0.7498 0.7022 -0.0010 -0.0035 -0.0197 129 CYS C SG 6390 N N . TYR C 63 ? 0.4666 0.5030 0.4538 -0.0008 -0.0058 -0.0170 130 TYR C N 6391 C CA . TYR C 63 ? 0.4523 0.4895 0.4395 -0.0010 -0.0061 -0.0163 130 TYR C CA 6392 C C . TYR C 63 ? 0.4742 0.5122 0.4616 -0.0008 -0.0058 -0.0163 130 TYR C C 6393 O O . TYR C 63 ? 0.4817 0.5198 0.4694 -0.0006 -0.0054 -0.0168 130 TYR C O 6394 C CB . TYR C 63 ? 0.4687 0.5061 0.4563 -0.0008 -0.0065 -0.0160 130 TYR C CB 6395 C CG . TYR C 63 ? 0.4629 0.4991 0.4498 -0.0010 -0.0070 -0.0159 130 TYR C CG 6396 C CD1 . TYR C 63 ? 0.5025 0.5375 0.4895 -0.0005 -0.0071 -0.0164 130 TYR C CD1 6397 C CD2 . TYR C 63 ? 0.5514 0.5874 0.5375 -0.0017 -0.0073 -0.0153 130 TYR C CD2 6398 C CE1 . TYR C 63 ? 0.5275 0.5608 0.5135 -0.0006 -0.0076 -0.0163 130 TYR C CE1 6399 C CE2 . TYR C 63 ? 0.5619 0.5963 0.5469 -0.0021 -0.0078 -0.0152 130 TYR C CE2 6400 C CZ . TYR C 63 ? 0.5489 0.5818 0.5337 -0.0015 -0.0080 -0.0157 130 TYR C CZ 6401 O OH . TYR C 63 ? 0.6381 0.6690 0.6216 -0.0017 -0.0085 -0.0156 130 TYR C OH 6402 N N . GLN C 64 ? 0.4283 0.4670 0.4154 -0.0009 -0.0059 -0.0158 131 GLN C N 6403 C CA . GLN C 64 ? 0.4732 0.5124 0.4603 -0.0006 -0.0057 -0.0157 131 GLN C CA 6404 C C . GLN C 64 ? 0.4501 0.4902 0.4377 -0.0003 -0.0058 -0.0153 131 GLN C C 6405 O O . GLN C 64 ? 0.4528 0.4932 0.4405 -0.0005 -0.0060 -0.0150 131 GLN C O 6406 C CB . GLN C 64 ? 0.4815 0.5208 0.4682 -0.0006 -0.0059 -0.0154 131 GLN C CB 6407 C CG . GLN C 64 ? 0.5853 0.6255 0.5723 -0.0009 -0.0063 -0.0149 131 GLN C CG 6408 C CD . GLN C 64 ? 0.5701 0.6103 0.5566 -0.0009 -0.0067 -0.0146 131 GLN C CD 6409 O OE1 . GLN C 64 ? 0.5955 0.6347 0.5811 -0.0014 -0.0069 -0.0148 131 GLN C OE1 6410 N NE2 . GLN C 64 ? 0.6164 0.6578 0.6035 -0.0003 -0.0068 -0.0143 131 GLN C NE2 6411 N N . PHE C 65 ? 0.4249 0.4649 0.4123 0.0000 -0.0055 -0.0155 132 PHE C N 6412 C CA . PHE C 65 ? 0.4289 0.4692 0.4164 0.0002 -0.0054 -0.0153 132 PHE C CA 6413 C C . PHE C 65 ? 0.4449 0.4853 0.4319 0.0007 -0.0051 -0.0152 132 PHE C C 6414 O O . PHE C 65 ? 0.3457 0.3854 0.3321 0.0008 -0.0050 -0.0154 132 PHE C O 6415 C CB . PHE C 65 ? 0.4234 0.4631 0.4108 0.0002 -0.0055 -0.0155 132 PHE C CB 6416 C CG . PHE C 65 ? 0.4603 0.4997 0.4482 0.0000 -0.0059 -0.0156 132 PHE C CG 6417 C CD1 . PHE C 65 ? 0.4555 0.4947 0.4438 0.0000 -0.0059 -0.0161 132 PHE C CD1 6418 C CD2 . PHE C 65 ? 0.4731 0.5123 0.4608 -0.0001 -0.0063 -0.0153 132 PHE C CD2 6419 C CE1 . PHE C 65 ? 0.4558 0.4946 0.4447 0.0000 -0.0063 -0.0163 132 PHE C CE1 6420 C CE2 . PHE C 65 ? 0.5409 0.5795 0.5288 -0.0001 -0.0068 -0.0154 132 PHE C CE2 6421 C CZ . PHE C 65 ? 0.5138 0.5521 0.5023 0.0000 -0.0068 -0.0159 132 PHE C CZ 6422 N N . ALA C 66 ? 0.4319 0.4727 0.4188 0.0009 -0.0048 -0.0149 133 ALA C N 6423 C CA . ALA C 66 ? 0.4594 0.4999 0.4456 0.0015 -0.0045 -0.0150 133 ALA C CA 6424 C C . ALA C 66 ? 0.4392 0.4800 0.4252 0.0017 -0.0040 -0.0148 133 ALA C C 6425 O O . ALA C 66 ? 0.4828 0.5242 0.4692 0.0012 -0.0041 -0.0146 133 ALA C O 6426 C CB . ALA C 66 ? 0.4177 0.4588 0.4042 0.0021 -0.0045 -0.0148 133 ALA C CB 6427 N N . LEU C 67 ? 0.4342 0.4742 0.4192 0.0022 -0.0036 -0.0150 134 LEU C N 6428 C CA . LEU C 67 ? 0.4122 0.4522 0.3966 0.0024 -0.0031 -0.0149 134 LEU C CA 6429 C C . LEU C 67 ? 0.4203 0.4618 0.4056 0.0031 -0.0026 -0.0148 134 LEU C C 6430 O O . LEU C 67 ? 0.4070 0.4483 0.3921 0.0041 -0.0025 -0.0149 134 LEU C O 6431 C CB . LEU C 67 ? 0.3918 0.4300 0.3744 0.0025 -0.0028 -0.0151 134 LEU C CB 6432 C CG . LEU C 67 ? 0.4330 0.4700 0.4149 0.0018 -0.0033 -0.0152 134 LEU C CG 6433 C CD1 . LEU C 67 ? 0.4676 0.5027 0.4475 0.0018 -0.0030 -0.0154 134 LEU C CD1 6434 C CD2 . LEU C 67 ? 0.4353 0.4726 0.4176 0.0011 -0.0036 -0.0151 134 LEU C CD2 6435 N N . GLY C 68 ? 0.4070 0.4502 0.3934 0.0027 -0.0024 -0.0146 135 GLY C N 6436 C CA . GLY C 68 ? 0.3889 0.4341 0.3765 0.0034 -0.0019 -0.0146 135 GLY C CA 6437 C C . GLY C 68 ? 0.4092 0.4538 0.3959 0.0042 -0.0010 -0.0149 135 GLY C C 6438 O O . GLY C 68 ? 0.4473 0.4900 0.4322 0.0039 -0.0007 -0.0150 135 GLY C O 6439 N N . GLN C 69 ? 0.4157 0.4621 0.4037 0.0052 -0.0005 -0.0150 136 GLN C N 6440 C CA . GLN C 69 ? 0.4135 0.4598 0.4009 0.0061 0.0005 -0.0153 136 GLN C CA 6441 C C . GLN C 69 ? 0.4694 0.5184 0.4582 0.0058 0.0015 -0.0154 136 GLN C C 6442 O O . GLN C 69 ? 0.4446 0.4946 0.4339 0.0068 0.0025 -0.0158 136 GLN C O 6443 C CB . GLN C 69 ? 0.4404 0.4866 0.4282 0.0078 0.0004 -0.0155 136 GLN C CB 6444 C CG . GLN C 69 ? 0.4492 0.4922 0.4348 0.0080 -0.0002 -0.0155 136 GLN C CG 6445 C CD . GLN C 69 ? 0.4905 0.5308 0.4735 0.0082 0.0005 -0.0158 136 GLN C CD 6446 O OE1 . GLN C 69 ? 0.5583 0.5988 0.5409 0.0079 0.0014 -0.0160 136 GLN C OE1 6447 N NE2 . GLN C 69 ? 0.5470 0.5844 0.5278 0.0085 0.0001 -0.0159 136 GLN C NE2 6448 N N . GLY C 70 ? 0.4215 0.4716 0.4110 0.0043 0.0012 -0.0151 137 GLY C N 6449 C CA . GLY C 70 ? 0.4910 0.5435 0.4815 0.0036 0.0022 -0.0152 137 GLY C CA 6450 C C . GLY C 70 ? 0.4627 0.5189 0.4562 0.0045 0.0025 -0.0153 137 GLY C C 6451 O O . GLY C 70 ? 0.4701 0.5286 0.4646 0.0043 0.0037 -0.0155 137 GLY C O 6452 N N . THR C 71 ? 0.4117 0.4686 0.4065 0.0053 0.0015 -0.0151 138 THR C N 6453 C CA . THR C 71 ? 0.4416 0.5020 0.4393 0.0062 0.0015 -0.0151 138 THR C CA 6454 C C . THR C 71 ? 0.4409 0.5016 0.4396 0.0064 0.0000 -0.0147 138 THR C C 6455 O O . THR C 71 ? 0.4636 0.5213 0.4604 0.0062 -0.0009 -0.0145 138 THR C O 6456 C CB . THR C 71 ? 0.4670 0.5276 0.4651 0.0084 0.0022 -0.0156 138 THR C CB 6457 O OG1 . THR C 71 ? 0.4998 0.5641 0.5011 0.0095 0.0021 -0.0157 138 THR C OG1 6458 C CG2 . THR C 71 ? 0.4705 0.5274 0.4664 0.0094 0.0015 -0.0156 138 THR C CG2 6459 N N . THR C 72 ? 0.4115 0.4757 0.4129 0.0066 -0.0004 -0.0145 139 THR C N 6460 C CA . THR C 72 ? 0.4435 0.5081 0.4458 0.0070 -0.0019 -0.0142 139 THR C CA 6461 C C . THR C 72 ? 0.4421 0.5065 0.4450 0.0093 -0.0021 -0.0144 139 THR C C 6462 O O . THR C 72 ? 0.4376 0.5019 0.4404 0.0105 -0.0010 -0.0148 139 THR C O 6463 C CB . THR C 72 ? 0.4550 0.5233 0.4599 0.0059 -0.0024 -0.0138 139 THR C CB 6464 O OG1 . THR C 72 ? 0.4483 0.5205 0.4557 0.0062 -0.0012 -0.0142 139 THR C OG1 6465 C CG2 . THR C 72 ? 0.4303 0.4975 0.4338 0.0036 -0.0026 -0.0135 139 THR C CG2 6466 N N . LEU C 73 ? 0.3988 0.4627 0.4019 0.0098 -0.0035 -0.0140 140 LEU C N 6467 C CA . LEU C 73 ? 0.4359 0.4987 0.4388 0.0120 -0.0040 -0.0142 140 LEU C CA 6468 C C . LEU C 73 ? 0.4269 0.4937 0.4332 0.0135 -0.0040 -0.0143 140 LEU C C 6469 O O . LEU C 73 ? 0.4840 0.5504 0.4904 0.0155 -0.0035 -0.0147 140 LEU C O 6470 C CB . LEU C 73 ? 0.3714 0.4315 0.3726 0.0117 -0.0056 -0.0138 140 LEU C CB 6471 C CG . LEU C 73 ? 0.3780 0.4364 0.3785 0.0134 -0.0068 -0.0136 140 LEU C CG 6472 C CD1 . LEU C 73 ? 0.4055 0.4659 0.4081 0.0156 -0.0071 -0.0138 140 LEU C CD1 6473 C CD2 . LEU C 73 ? 0.4075 0.4609 0.4042 0.0134 -0.0069 -0.0137 140 LEU C CD2 6474 N N . ASN C 74 ? 0.4178 0.4883 0.4267 0.0126 -0.0045 -0.0140 141 ASN C N 6475 C CA . ASN C 74 ? 0.4617 0.5367 0.4744 0.0139 -0.0045 -0.0141 141 ASN C CA 6476 C C . ASN C 74 ? 0.4688 0.5469 0.4831 0.0135 -0.0026 -0.0146 141 ASN C C 6477 O O . ASN C 74 ? 0.4973 0.5789 0.5137 0.0118 -0.0023 -0.0145 141 ASN C O 6478 C CB . ASN C 74 ? 0.3515 0.4293 0.3663 0.0130 -0.0062 -0.0135 141 ASN C CB 6479 C CG . ASN C 74 ? 0.3991 0.4817 0.4181 0.0147 -0.0065 -0.0136 141 ASN C CG 6480 O OD1 . ASN C 74 ? 0.3736 0.4568 0.3936 0.0170 -0.0059 -0.0141 141 ASN C OD1 6481 N ND2 . ASN C 74 ? 0.3958 0.4820 0.4173 0.0135 -0.0076 -0.0132 141 ASN C ND2 6482 N N . ASN C 75 ? 0.4701 0.5464 0.4831 0.0147 -0.0012 -0.0152 142 ASN C N 6483 C CA . ASN C 75 ? 0.4561 0.5336 0.4692 0.0139 0.0008 -0.0158 142 ASN C CA 6484 C C . ASN C 75 ? 0.4472 0.5224 0.4589 0.0161 0.0018 -0.0164 142 ASN C C 6485 O O . ASN C 75 ? 0.4548 0.5254 0.4633 0.0168 0.0012 -0.0163 142 ASN C O 6486 C CB . ASN C 75 ? 0.4269 0.5014 0.4368 0.0115 0.0010 -0.0155 142 ASN C CB 6487 C CG . ASN C 75 ? 0.4623 0.5377 0.4719 0.0102 0.0029 -0.0159 142 ASN C CG 6488 O OD1 . ASN C 75 ? 0.4960 0.5718 0.5057 0.0113 0.0044 -0.0166 142 ASN C OD1 6489 N ND2 . ASN C 75 ? 0.4778 0.5528 0.4863 0.0077 0.0028 -0.0156 142 ASN C ND2 6490 N N . LYS C 76 ? 0.4268 0.5048 0.4404 0.0171 0.0035 -0.0171 143 LYS C N 6491 C CA . LYS C 76 ? 0.4693 0.5448 0.4813 0.0192 0.0046 -0.0178 143 LYS C CA 6492 C C . LYS C 76 ? 0.4596 0.5299 0.4669 0.0181 0.0054 -0.0179 143 LYS C C 6493 O O . LYS C 76 ? 0.4588 0.5255 0.4637 0.0197 0.0056 -0.0182 143 LYS C O 6494 C CB . LYS C 76 ? 0.5505 0.6302 0.5655 0.0205 0.0065 -0.0186 143 LYS C CB 6495 C CG . LYS C 76 ? 0.6148 0.6985 0.6340 0.0226 0.0054 -0.0186 143 LYS C CG 6496 C CD . LYS C 76 ? 0.7602 0.8493 0.7835 0.0237 0.0072 -0.0195 143 LYS C CD 6497 C CE . LYS C 76 ? 0.8472 0.9405 0.8749 0.0258 0.0057 -0.0193 143 LYS C CE 6498 N NZ . LYS C 76 ? 0.9862 1.0854 1.0185 0.0270 0.0074 -0.0202 143 LYS C NZ 6499 N N . HIS C 77 ? 0.4244 0.4940 0.4303 0.0156 0.0056 -0.0176 144 HIS C N 6500 C CA . HIS C 77 ? 0.4434 0.5082 0.4451 0.0146 0.0059 -0.0176 144 HIS C CA 6501 C C . HIS C 77 ? 0.4346 0.4952 0.4338 0.0149 0.0043 -0.0171 144 HIS C C 6502 O O . HIS C 77 ? 0.4398 0.4965 0.4355 0.0142 0.0045 -0.0171 144 HIS C O 6503 C CB . HIS C 77 ? 0.4827 0.5476 0.4835 0.0119 0.0063 -0.0173 144 HIS C CB 6504 C CG . HIS C 77 ? 0.4709 0.5390 0.4731 0.0112 0.0081 -0.0178 144 HIS C CG 6505 N ND1 . HIS C 77 ? 0.4865 0.5593 0.4921 0.0104 0.0082 -0.0177 144 HIS C ND1 6506 C CD2 . HIS C 77 ? 0.4305 0.4976 0.4310 0.0110 0.0100 -0.0184 144 HIS C CD2 6507 C CE1 . HIS C 77 ? 0.4845 0.5595 0.4907 0.0098 0.0101 -0.0183 144 HIS C CE1 6508 N NE2 . HIS C 77 ? 0.4826 0.5540 0.4856 0.0101 0.0113 -0.0187 144 HIS C NE2 6509 N N . SER C 78 ? 0.4181 0.4795 0.4187 0.0156 0.0027 -0.0167 145 SER C N 6510 C CA . SER C 78 ? 0.4315 0.4888 0.4294 0.0158 0.0013 -0.0163 145 SER C CA 6511 C C . SER C 78 ? 0.4338 0.4879 0.4296 0.0178 0.0016 -0.0168 145 SER C C 6512 O O . SER C 78 ? 0.4756 0.5257 0.4684 0.0177 0.0008 -0.0166 145 SER C O 6513 C CB . SER C 78 ? 0.4660 0.5248 0.4657 0.0159 -0.0004 -0.0158 145 SER C CB 6514 O OG . SER C 78 ? 0.4128 0.4736 0.4148 0.0182 -0.0007 -0.0160 145 SER C OG 6515 N N . ASN C 79 ? 0.4193 0.4750 0.4163 0.0196 0.0028 -0.0173 146 ASN C N 6516 C CA . ASN C 79 ? 0.4823 0.5347 0.4771 0.0216 0.0032 -0.0178 146 ASN C CA 6517 C C . ASN C 79 ? 0.5338 0.5817 0.5243 0.0205 0.0040 -0.0180 146 ASN C C 6518 O O . ASN C 79 ? 0.5865 0.6350 0.5767 0.0191 0.0052 -0.0182 146 ASN C O 6519 C CB . ASN C 79 ? 0.5162 0.5716 0.5135 0.0236 0.0047 -0.0185 146 ASN C CB 6520 C CG . ASN C 79 ? 0.6077 0.6601 0.6032 0.0263 0.0049 -0.0191 146 ASN C CG 6521 O OD1 . ASN C 79 ? 0.6011 0.6485 0.5927 0.0264 0.0042 -0.0189 146 ASN C OD1 6522 N ND2 . ASN C 79 ? 0.7473 0.8029 0.7458 0.0285 0.0058 -0.0197 146 ASN C ND2 6523 N N . GLY C 80 ? 0.5594 0.6027 0.5465 0.0209 0.0032 -0.0179 147 GLY C N 6524 C CA . GLY C 80 ? 0.5231 0.5623 0.5063 0.0198 0.0038 -0.0181 147 GLY C CA 6525 C C . GLY C 80 ? 0.5554 0.5936 0.5373 0.0173 0.0031 -0.0176 147 GLY C C 6526 O O . GLY C 80 ? 0.6488 0.6841 0.6278 0.0162 0.0036 -0.0176 147 GLY C O 6527 N N . THR C 81 ? 0.5322 0.5724 0.5161 0.0165 0.0019 -0.0171 148 THR C N 6528 C CA . THR C 81 ? 0.5329 0.5723 0.5159 0.0143 0.0012 -0.0166 148 THR C CA 6529 C C . THR C 81 ? 0.5128 0.5482 0.4927 0.0138 0.0004 -0.0165 148 THR C C 6530 O O . THR C 81 ? 0.5735 0.6084 0.5529 0.0121 0.0000 -0.0162 148 THR C O 6531 C CB . THR C 81 ? 0.5312 0.5741 0.5174 0.0135 0.0004 -0.0162 148 THR C CB 6532 O OG1 . THR C 81 ? 0.4488 0.4927 0.4364 0.0150 -0.0004 -0.0160 148 THR C OG1 6533 C CG2 . THR C 81 ? 0.5048 0.5512 0.4933 0.0130 0.0014 -0.0163 148 THR C CG2 6534 N N . ILE C 82 ? 0.5407 0.5731 0.5183 0.0151 0.0004 -0.0167 149 ILE C N 6535 C CA . ILE C 82 ? 0.5060 0.5341 0.4798 0.0143 0.0000 -0.0167 149 ILE C CA 6536 C C . ILE C 82 ? 0.5490 0.5756 0.5209 0.0127 0.0006 -0.0169 149 ILE C C 6537 O O . ILE C 82 ? 0.5059 0.5305 0.4759 0.0113 0.0001 -0.0167 149 ILE C O 6538 C CB . ILE C 82 ? 0.5764 0.6010 0.5475 0.0160 -0.0001 -0.0170 149 ILE C CB 6539 C CG1 . ILE C 82 ? 0.6426 0.6631 0.6100 0.0148 -0.0008 -0.0169 149 ILE C CG1 6540 C CG2 . ILE C 82 ? 0.5040 0.5276 0.4740 0.0173 0.0011 -0.0175 149 ILE C CG2 6541 C CD1 . ILE C 82 ? 0.6603 0.6770 0.6248 0.0163 -0.0014 -0.0170 149 ILE C CD1 6542 N N . HIS C 83 ? 0.4782 0.5056 0.4503 0.0130 0.0018 -0.0171 150 HIS C N 6543 C CA . HIS C 83 ? 0.5380 0.5639 0.5081 0.0114 0.0023 -0.0172 150 HIS C CA 6544 C C . HIS C 83 ? 0.5601 0.5877 0.5316 0.0095 0.0017 -0.0168 150 HIS C C 6545 O O . HIS C 83 ? 0.6768 0.7076 0.6512 0.0094 0.0014 -0.0166 150 HIS C O 6546 C CB . HIS C 83 ? 0.5261 0.5524 0.4959 0.0120 0.0038 -0.0176 150 HIS C CB 6547 C CG . HIS C 83 ? 0.7361 0.7603 0.7043 0.0140 0.0045 -0.0181 150 HIS C CG 6548 N ND1 . HIS C 83 ? 0.7839 0.8035 0.7481 0.0142 0.0043 -0.0182 150 HIS C ND1 6549 C CD2 . HIS C 83 ? 0.8085 0.8343 0.7784 0.0160 0.0053 -0.0185 150 HIS C CD2 6550 C CE1 . HIS C 83 ? 0.8059 0.8241 0.7692 0.0163 0.0050 -0.0187 150 HIS C CE1 6551 N NE2 . HIS C 83 ? 0.9530 0.9752 0.9200 0.0175 0.0056 -0.0189 150 HIS C NE2 6552 N N . ASP C 84 ? 0.4939 0.5193 0.4632 0.0081 0.0013 -0.0168 151 ASP C N 6553 C CA . ASP C 84 ? 0.5578 0.5844 0.5283 0.0065 0.0005 -0.0165 151 ASP C CA 6554 C C . ASP C 84 ? 0.5224 0.5504 0.4936 0.0056 0.0009 -0.0163 151 ASP C C 6555 O O . ASP C 84 ? 0.4853 0.5150 0.4582 0.0047 0.0003 -0.0161 151 ASP C O 6556 C CB . ASP C 84 ? 0.6346 0.6586 0.6027 0.0053 0.0000 -0.0164 151 ASP C CB 6557 C CG . ASP C 84 ? 0.6499 0.6725 0.6170 0.0056 -0.0005 -0.0165 151 ASP C CG 6558 O OD1 . ASP C 84 ? 0.7733 0.7971 0.7419 0.0065 -0.0008 -0.0164 151 ASP C OD1 6559 O OD2 . ASP C 84 ? 0.8078 0.8277 0.7722 0.0048 -0.0007 -0.0166 151 ASP C OD2 6560 N N . ARG C 85 ? 0.5242 0.5511 0.4938 0.0057 0.0018 -0.0166 152 ARG C N 6561 C CA . ARG C 85 ? 0.5043 0.5315 0.4736 0.0044 0.0020 -0.0164 152 ARG C CA 6562 C C . ARG C 85 ? 0.5300 0.5582 0.4996 0.0048 0.0033 -0.0167 152 ARG C C 6563 O O . ARG C 85 ? 0.5419 0.5682 0.5093 0.0052 0.0042 -0.0170 152 ARG C O 6564 C CB . ARG C 85 ? 0.4970 0.5212 0.4633 0.0032 0.0016 -0.0164 152 ARG C CB 6565 C CG . ARG C 85 ? 0.4918 0.5157 0.4584 0.0025 0.0004 -0.0162 152 ARG C CG 6566 C CD . ARG C 85 ? 0.5085 0.5300 0.4725 0.0011 -0.0001 -0.0161 152 ARG C CD 6567 N NE . ARG C 85 ? 0.4765 0.4949 0.4372 0.0015 0.0006 -0.0164 152 ARG C NE 6568 C CZ . ARG C 85 ? 0.5419 0.5584 0.5010 0.0019 0.0006 -0.0166 152 ARG C CZ 6569 N NH1 . ARG C 85 ? 0.5618 0.5793 0.5223 0.0020 0.0000 -0.0166 152 ARG C NH1 6570 N NH2 . ARG C 85 ? 0.5340 0.5474 0.4898 0.0023 0.0013 -0.0169 152 ARG C NH2 6571 N N . ILE C 86 ? 0.5431 0.5744 0.5154 0.0047 0.0033 -0.0165 153 ILE C N 6572 C CA . ILE C 86 ? 0.4908 0.5234 0.4634 0.0046 0.0045 -0.0167 153 ILE C CA 6573 C C . ILE C 86 ? 0.4854 0.5190 0.4586 0.0030 0.0040 -0.0163 153 ILE C C 6574 O O . ILE C 86 ? 0.5077 0.5418 0.4820 0.0024 0.0027 -0.0159 153 ILE C O 6575 C CB . ILE C 86 ? 0.4964 0.5321 0.4719 0.0061 0.0053 -0.0169 153 ILE C CB 6576 C CG1 . ILE C 86 ? 0.4710 0.5093 0.4495 0.0062 0.0042 -0.0165 153 ILE C CG1 6577 C CG2 . ILE C 86 ? 0.4740 0.5081 0.4485 0.0079 0.0057 -0.0173 153 ILE C CG2 6578 C CD1 . ILE C 86 ? 0.4481 0.4899 0.4296 0.0073 0.0047 -0.0167 153 ILE C CD1 6579 N N . PRO C 87 ? 0.4907 0.5247 0.4633 0.0022 0.0050 -0.0164 154 PRO C N 6580 C CA . PRO C 87 ? 0.4999 0.5343 0.4725 0.0006 0.0044 -0.0160 154 PRO C CA 6581 C C . PRO C 87 ? 0.4940 0.5314 0.4696 0.0005 0.0039 -0.0157 154 PRO C C 6582 O O . PRO C 87 ? 0.4419 0.4792 0.4174 -0.0007 0.0031 -0.0154 154 PRO C O 6583 C CB . PRO C 87 ? 0.5358 0.5696 0.5065 -0.0001 0.0059 -0.0163 154 PRO C CB 6584 C CG . PRO C 87 ? 0.5161 0.5487 0.4854 0.0011 0.0072 -0.0169 154 PRO C CG 6585 C CD . PRO C 87 ? 0.5161 0.5497 0.4875 0.0028 0.0068 -0.0170 154 PRO C CD 6586 N N . HIS C 88 ? 0.4739 0.5138 0.4519 0.0018 0.0044 -0.0159 155 HIS C N 6587 C CA . HIS C 88 ? 0.4641 0.5070 0.4449 0.0015 0.0039 -0.0157 155 HIS C CA 6588 C C . HIS C 88 ? 0.4531 0.4959 0.4349 0.0017 0.0024 -0.0153 155 HIS C C 6589 O O . HIS C 88 ? 0.4551 0.4999 0.4389 0.0014 0.0019 -0.0151 155 HIS C O 6590 C CB . HIS C 88 ? 0.4956 0.5416 0.4787 0.0027 0.0050 -0.0160 155 HIS C CB 6591 C CG . HIS C 88 ? 0.5680 0.6138 0.5499 0.0027 0.0067 -0.0165 155 HIS C CG 6592 N ND1 . HIS C 88 ? 0.5668 0.6122 0.5472 0.0011 0.0074 -0.0165 155 HIS C ND1 6593 C CD2 . HIS C 88 ? 0.5648 0.6100 0.5461 0.0042 0.0079 -0.0171 155 HIS C CD2 6594 C CE1 . HIS C 88 ? 0.5615 0.6063 0.5406 0.0014 0.0090 -0.0171 155 HIS C CE1 6595 N NE2 . HIS C 88 ? 0.5688 0.6135 0.5485 0.0033 0.0093 -0.0175 155 HIS C NE2 6596 N N . ARG C 89 ? 0.4107 0.4511 0.3911 0.0020 0.0017 -0.0153 156 ARG C N 6597 C CA . ARG C 89 ? 0.4321 0.4725 0.4136 0.0021 0.0005 -0.0151 156 ARG C CA 6598 C C . ARG C 89 ? 0.4269 0.4670 0.4082 0.0008 -0.0003 -0.0148 156 ARG C C 6599 O O . ARG C 89 ? 0.4666 0.5050 0.4462 0.0000 -0.0004 -0.0147 156 ARG C O 6600 C CB . ARG C 89 ? 0.4096 0.4479 0.3897 0.0026 0.0001 -0.0153 156 ARG C CB 6601 C CG . ARG C 89 ? 0.4628 0.5009 0.4426 0.0040 0.0008 -0.0156 156 ARG C CG 6602 C CD . ARG C 89 ? 0.4986 0.5349 0.4775 0.0045 0.0002 -0.0156 156 ARG C CD 6603 N NE . ARG C 89 ? 0.4660 0.5035 0.4466 0.0047 -0.0005 -0.0155 156 ARG C NE 6604 C CZ . ARG C 89 ? 0.5274 0.5637 0.5074 0.0050 -0.0010 -0.0155 156 ARG C CZ 6605 N NH1 . ARG C 89 ? 0.4970 0.5307 0.4746 0.0051 -0.0009 -0.0157 156 ARG C NH1 6606 N NH2 . ARG C 89 ? 0.5019 0.5391 0.4831 0.0051 -0.0017 -0.0154 156 ARG C NH2 6607 N N . THR C 90 ? 0.4221 0.4635 0.4051 0.0007 -0.0010 -0.0146 157 THR C N 6608 C CA . THR C 90 ? 0.4049 0.4460 0.3880 -0.0002 -0.0019 -0.0143 157 THR C CA 6609 C C . THR C 90 ? 0.4340 0.4751 0.4181 0.0000 -0.0028 -0.0143 157 THR C C 6610 O O . THR C 90 ? 0.4560 0.4979 0.4410 0.0007 -0.0027 -0.0144 157 THR C O 6611 C CB . THR C 90 ? 0.4075 0.4501 0.3913 -0.0010 -0.0017 -0.0141 157 THR C CB 6612 O OG1 . THR C 90 ? 0.4387 0.4837 0.4245 -0.0005 -0.0014 -0.0141 157 THR C OG1 6613 C CG2 . THR C 90 ? 0.4350 0.4774 0.4174 -0.0017 -0.0007 -0.0141 157 THR C CG2 6614 N N . LEU C 91 ? 0.4293 0.4693 0.4130 -0.0004 -0.0036 -0.0142 158 LEU C N 6615 C CA . LEU C 91 ? 0.3884 0.4285 0.3731 -0.0002 -0.0043 -0.0143 158 LEU C CA 6616 C C . LEU C 91 ? 0.4423 0.4835 0.4280 -0.0006 -0.0045 -0.0141 158 LEU C C 6617 O O . LEU C 91 ? 0.4654 0.5064 0.4508 -0.0013 -0.0048 -0.0139 158 LEU C O 6618 C CB . LEU C 91 ? 0.3671 0.4058 0.3513 -0.0005 -0.0051 -0.0143 158 LEU C CB 6619 C CG . LEU C 91 ? 0.3829 0.4217 0.3682 -0.0003 -0.0056 -0.0146 158 LEU C CG 6620 C CD1 . LEU C 91 ? 0.3942 0.4334 0.3799 0.0001 -0.0052 -0.0149 158 LEU C CD1 6621 C CD2 . LEU C 91 ? 0.3686 0.4064 0.3538 -0.0004 -0.0064 -0.0147 158 LEU C CD2 6622 N N . LEU C 92 ? 0.4793 0.5215 0.4660 -0.0001 -0.0044 -0.0142 159 LEU C N 6623 C CA . LEU C 92 ? 0.4445 0.4877 0.4321 -0.0005 -0.0047 -0.0140 159 LEU C CA 6624 C C . LEU C 92 ? 0.4528 0.4949 0.4403 -0.0006 -0.0054 -0.0142 159 LEU C C 6625 O O . LEU C 92 ? 0.4040 0.4455 0.3916 -0.0002 -0.0054 -0.0145 159 LEU C O 6626 C CB . LEU C 92 ? 0.4339 0.4786 0.4225 0.0000 -0.0045 -0.0140 159 LEU C CB 6627 C CG . LEU C 92 ? 0.4418 0.4878 0.4308 0.0005 -0.0038 -0.0139 159 LEU C CG 6628 C CD1 . LEU C 92 ? 0.4246 0.4719 0.4145 0.0013 -0.0038 -0.0139 159 LEU C CD1 6629 C CD2 . LEU C 92 ? 0.4834 0.5307 0.4726 -0.0003 -0.0034 -0.0137 159 LEU C CD2 6630 N N . MET C 93 ? 0.4651 0.5071 0.4526 -0.0013 -0.0058 -0.0140 160 MET C N 6631 C CA . MET C 93 ? 0.4617 0.5026 0.4491 -0.0014 -0.0062 -0.0142 160 MET C CA 6632 C C . MET C 93 ? 0.4725 0.5138 0.4599 -0.0020 -0.0065 -0.0140 160 MET C C 6633 O O . MET C 93 ? 0.4844 0.5260 0.4715 -0.0027 -0.0066 -0.0136 160 MET C O 6634 C CB . MET C 93 ? 0.4387 0.4781 0.4254 -0.0016 -0.0067 -0.0142 160 MET C CB 6635 C CG . MET C 93 ? 0.4834 0.5216 0.4701 -0.0015 -0.0071 -0.0145 160 MET C CG 6636 S SD . MET C 93 ? 0.5081 0.5445 0.4940 -0.0014 -0.0079 -0.0145 160 MET C SD 6637 C CE . MET C 93 ? 0.4926 0.5280 0.4789 -0.0008 -0.0082 -0.0151 160 MET C CE 6638 N N . SER C 94 ? 0.4539 0.4949 0.4415 -0.0018 -0.0066 -0.0142 161 SER C N 6639 C CA . SER C 94 ? 0.4715 0.5126 0.4588 -0.0025 -0.0069 -0.0140 161 SER C CA 6640 C C . SER C 94 ? 0.4166 0.4562 0.4034 -0.0024 -0.0070 -0.0144 161 SER C C 6641 O O . SER C 94 ? 0.4490 0.4882 0.4359 -0.0019 -0.0067 -0.0148 161 SER C O 6642 C CB . SER C 94 ? 0.4844 0.5273 0.4725 -0.0024 -0.0068 -0.0137 161 SER C CB 6643 O OG . SER C 94 ? 0.5185 0.5614 0.5065 -0.0028 -0.0072 -0.0136 161 SER C OG 6644 N N . GLU C 95 ? 0.4244 0.4631 0.4104 -0.0032 -0.0073 -0.0143 162 GLU C N 6645 C CA . GLU C 95 ? 0.4824 0.5195 0.4676 -0.0032 -0.0073 -0.0148 162 GLU C CA 6646 C C . GLU C 95 ? 0.4571 0.4947 0.4424 -0.0029 -0.0071 -0.0149 162 GLU C C 6647 O O . GLU C 95 ? 0.4519 0.4908 0.4376 -0.0031 -0.0073 -0.0145 162 GLU C O 6648 C CB . GLU C 95 ? 0.4893 0.5252 0.4733 -0.0041 -0.0077 -0.0146 162 GLU C CB 6649 C CG . GLU C 95 ? 0.6843 0.7190 0.6674 -0.0044 -0.0080 -0.0145 162 GLU C CG 6650 C CD . GLU C 95 ? 0.8008 0.8335 0.7822 -0.0054 -0.0084 -0.0145 162 GLU C CD 6651 O OE1 . GLU C 95 ? 0.9361 0.9681 0.9167 -0.0057 -0.0083 -0.0147 162 GLU C OE1 6652 O OE2 . GLU C 95 ? 1.0421 1.0737 1.0224 -0.0059 -0.0087 -0.0143 162 GLU C OE2 6653 N N . LEU C 96 ? 0.3917 0.4283 0.3767 -0.0026 -0.0066 -0.0155 163 LEU C N 6654 C CA . LEU C 96 ? 0.4183 0.4548 0.4030 -0.0026 -0.0064 -0.0157 163 LEU C CA 6655 C C . LEU C 96 ? 0.4158 0.4520 0.3995 -0.0033 -0.0070 -0.0153 163 LEU C C 6656 O O . LEU C 96 ? 0.4277 0.4627 0.4104 -0.0040 -0.0072 -0.0153 163 LEU C O 6657 C CB . LEU C 96 ? 0.4727 0.5080 0.4569 -0.0025 -0.0058 -0.0165 163 LEU C CB 6658 C CG . LEU C 96 ? 0.5274 0.5622 0.5107 -0.0027 -0.0055 -0.0167 163 LEU C CG 6659 C CD1 . LEU C 96 ? 0.5110 0.5469 0.4950 -0.0021 -0.0055 -0.0165 163 LEU C CD1 6660 C CD2 . LEU C 96 ? 0.5254 0.5593 0.5083 -0.0029 -0.0047 -0.0176 163 LEU C CD2 6661 N N . GLY C 97 ? 0.4010 0.4380 0.3848 -0.0031 -0.0073 -0.0149 164 GLY C N 6662 C CA . GLY C 97 ? 0.4183 0.4554 0.4015 -0.0037 -0.0081 -0.0144 164 GLY C CA 6663 C C . GLY C 97 ? 0.4527 0.4919 0.4372 -0.0039 -0.0087 -0.0138 164 GLY C C 6664 O O . GLY C 97 ? 0.4825 0.5223 0.4669 -0.0042 -0.0095 -0.0133 164 GLY C O 6665 N N . VAL C 98 ? 0.4057 0.4458 0.3911 -0.0038 -0.0084 -0.0137 165 VAL C N 6666 C CA . VAL C 98 ? 0.4330 0.4754 0.4197 -0.0041 -0.0088 -0.0132 165 VAL C CA 6667 C C . VAL C 98 ? 0.4347 0.4787 0.4227 -0.0030 -0.0085 -0.0131 165 VAL C C 6668 O O . VAL C 98 ? 0.4152 0.4590 0.4034 -0.0024 -0.0078 -0.0134 165 VAL C O 6669 C CB . VAL C 98 ? 0.4583 0.5004 0.4447 -0.0048 -0.0086 -0.0131 165 VAL C CB 6670 C CG1 . VAL C 98 ? 0.4386 0.4833 0.4263 -0.0052 -0.0088 -0.0126 165 VAL C CG1 6671 C CG2 . VAL C 98 ? 0.4523 0.4924 0.4371 -0.0058 -0.0090 -0.0132 165 VAL C CG2 6672 N N . PRO C 99 ? 0.4727 0.5184 0.4617 -0.0026 -0.0089 -0.0128 166 PRO C N 6673 C CA . PRO C 99 ? 0.4644 0.5115 0.4545 -0.0014 -0.0086 -0.0128 166 PRO C CA 6674 C C . PRO C 99 ? 0.4727 0.5214 0.4640 -0.0013 -0.0079 -0.0128 166 PRO C C 6675 O O . PRO C 99 ? 0.5135 0.5626 0.5048 -0.0024 -0.0079 -0.0126 166 PRO C O 6676 C CB . PRO C 99 ? 0.4762 0.5250 0.4674 -0.0010 -0.0094 -0.0124 166 PRO C CB 6677 C CG . PRO C 99 ? 0.4947 0.5434 0.4854 -0.0023 -0.0102 -0.0121 166 PRO C CG 6678 C CD . PRO C 99 ? 0.4675 0.5140 0.4566 -0.0033 -0.0099 -0.0123 166 PRO C CD 6679 N N . PHE C 100 ? 0.4812 0.5305 0.4731 -0.0002 -0.0073 -0.0129 167 PHE C N 6680 C CA . PHE C 100 ? 0.4696 0.5199 0.4620 -0.0002 -0.0066 -0.0130 167 PHE C CA 6681 C C . PHE C 100 ? 0.4591 0.5126 0.4535 -0.0003 -0.0065 -0.0127 167 PHE C C 6682 O O . PHE C 100 ? 0.4663 0.5211 0.4617 0.0007 -0.0062 -0.0128 167 PHE C O 6683 C CB . PHE C 100 ? 0.4496 0.4989 0.4415 0.0008 -0.0059 -0.0133 167 PHE C CB 6684 C CG . PHE C 100 ? 0.4484 0.4951 0.4388 0.0007 -0.0059 -0.0136 167 PHE C CG 6685 C CD1 . PHE C 100 ? 0.4456 0.4914 0.4354 0.0000 -0.0058 -0.0137 167 PHE C CD1 6686 C CD2 . PHE C 100 ? 0.4779 0.5232 0.4675 0.0014 -0.0059 -0.0139 167 PHE C CD2 6687 C CE1 . PHE C 100 ? 0.4568 0.5007 0.4457 0.0000 -0.0058 -0.0141 167 PHE C CE1 6688 C CE2 . PHE C 100 ? 0.5037 0.5471 0.4921 0.0012 -0.0057 -0.0142 167 PHE C CE2 6689 C CZ . PHE C 100 ? 0.5116 0.5545 0.4999 0.0005 -0.0057 -0.0144 167 PHE C CZ 6690 N N . HIS C 101 ? 0.4450 0.4995 0.4397 -0.0016 -0.0068 -0.0124 168 HIS C N 6691 C CA . HIS C 101 ? 0.4826 0.5404 0.4791 -0.0021 -0.0068 -0.0122 168 HIS C CA 6692 C C . HIS C 101 ? 0.5102 0.5687 0.5066 -0.0029 -0.0059 -0.0122 168 HIS C C 6693 O O . HIS C 101 ? 0.5063 0.5626 0.5013 -0.0029 -0.0054 -0.0125 168 HIS C O 6694 C CB . HIS C 101 ? 0.5366 0.5948 0.5331 -0.0034 -0.0078 -0.0118 168 HIS C CB 6695 C CG . HIS C 101 ? 0.5610 0.6168 0.5555 -0.0048 -0.0080 -0.0117 168 HIS C CG 6696 N ND1 . HIS C 101 ? 0.5993 0.6557 0.5934 -0.0062 -0.0076 -0.0116 168 HIS C ND1 6697 C CD2 . HIS C 101 ? 0.6515 0.7041 0.6440 -0.0050 -0.0083 -0.0119 168 HIS C CD2 6698 C CE1 . HIS C 101 ? 0.4795 0.5330 0.4715 -0.0071 -0.0079 -0.0116 168 HIS C CE1 6699 N NE2 . HIS C 101 ? 0.5230 0.5743 0.5141 -0.0063 -0.0082 -0.0118 168 HIS C NE2 6700 N N . LEU C 102 ? 0.4958 0.5574 0.4939 -0.0036 -0.0056 -0.0121 169 LEU C N 6701 C CA . LEU C 102 ? 0.5117 0.5740 0.5095 -0.0045 -0.0045 -0.0122 169 LEU C CA 6702 C C . LEU C 102 ? 0.4942 0.5538 0.4895 -0.0061 -0.0046 -0.0121 169 LEU C C 6703 O O . LEU C 102 ? 0.5147 0.5740 0.5092 -0.0067 -0.0039 -0.0122 169 LEU C O 6704 C CB . LEU C 102 ? 0.5563 0.6229 0.5565 -0.0051 -0.0041 -0.0121 169 LEU C CB 6705 C CG . LEU C 102 ? 0.5667 0.6361 0.5694 -0.0033 -0.0034 -0.0124 169 LEU C CG 6706 C CD1 . LEU C 102 ? 0.6420 0.7161 0.6474 -0.0040 -0.0030 -0.0124 169 LEU C CD1 6707 C CD2 . LEU C 102 ? 0.5631 0.6311 0.5647 -0.0024 -0.0022 -0.0129 169 LEU C CD2 6708 N N . GLY C 103 ? 0.4871 0.5449 0.4812 -0.0068 -0.0056 -0.0118 170 GLY C N 6709 C CA . GLY C 103 ? 0.5016 0.5563 0.4932 -0.0080 -0.0058 -0.0118 170 GLY C CA 6710 C C . GLY C 103 ? 0.5189 0.5703 0.5090 -0.0070 -0.0059 -0.0120 170 GLY C C 6711 O O . GLY C 103 ? 0.5126 0.5614 0.5008 -0.0076 -0.0062 -0.0120 170 GLY C O 6712 N N . THR C 104 ? 0.5165 0.5682 0.5074 -0.0054 -0.0056 -0.0123 171 THR C N 6713 C CA . THR C 104 ? 0.5034 0.5525 0.4932 -0.0045 -0.0057 -0.0126 171 THR C CA 6714 C C . THR C 104 ? 0.5307 0.5786 0.5194 -0.0048 -0.0052 -0.0127 171 THR C C 6715 O O . THR C 104 ? 0.5052 0.5546 0.4943 -0.0050 -0.0044 -0.0127 171 THR C O 6716 C CB . THR C 104 ? 0.5496 0.5993 0.5405 -0.0030 -0.0054 -0.0129 171 THR C CB 6717 O OG1 . THR C 104 ? 0.5083 0.5587 0.4999 -0.0028 -0.0060 -0.0128 171 THR C OG1 6718 C CG2 . THR C 104 ? 0.5674 0.6147 0.5572 -0.0023 -0.0055 -0.0132 171 THR C CG2 6719 N N . LYS C 105 ? 0.4697 0.5150 0.4569 -0.0048 -0.0057 -0.0128 172 LYS C N 6720 C CA . LYS C 105 ? 0.5402 0.5839 0.5261 -0.0051 -0.0056 -0.0128 172 LYS C CA 6721 C C . LYS C 105 ? 0.5283 0.5719 0.5144 -0.0039 -0.0051 -0.0131 172 LYS C C 6722 O O . LYS C 105 ? 0.4987 0.5419 0.4853 -0.0030 -0.0053 -0.0133 172 LYS C O 6723 C CB . LYS C 105 ? 0.5257 0.5667 0.5102 -0.0053 -0.0064 -0.0128 172 LYS C CB 6724 C CG . LYS C 105 ? 0.6488 0.6878 0.6316 -0.0056 -0.0066 -0.0127 172 LYS C CG 6725 C CD . LYS C 105 ? 0.7309 0.7672 0.7122 -0.0058 -0.0076 -0.0127 172 LYS C CD 6726 C CE . LYS C 105 ? 0.8794 0.9135 0.8588 -0.0062 -0.0080 -0.0125 172 LYS C CE 6727 N NZ . LYS C 105 ? 1.0809 1.1128 1.0582 -0.0073 -0.0087 -0.0122 172 LYS C NZ 6728 N N . GLN C 106 ? 0.4862 0.5299 0.4716 -0.0043 -0.0045 -0.0130 173 GLN C N 6729 C CA . GLN C 106 ? 0.5200 0.5629 0.5049 -0.0035 -0.0041 -0.0132 173 GLN C CA 6730 C C . GLN C 106 ? 0.5066 0.5469 0.4897 -0.0039 -0.0048 -0.0132 173 GLN C C 6731 O O . GLN C 106 ? 0.5715 0.6109 0.5531 -0.0050 -0.0049 -0.0129 173 GLN C O 6732 C CB . GLN C 106 ? 0.4751 0.5194 0.4600 -0.0036 -0.0030 -0.0133 173 GLN C CB 6733 C CG . GLN C 106 ? 0.5185 0.5656 0.5054 -0.0031 -0.0024 -0.0134 173 GLN C CG 6734 C CD . GLN C 106 ? 0.5567 0.6054 0.5438 -0.0032 -0.0012 -0.0136 173 GLN C CD 6735 O OE1 . GLN C 106 ? 0.4527 0.5013 0.4397 -0.0023 -0.0005 -0.0138 173 GLN C OE1 6736 N NE2 . GLN C 106 ? 0.5069 0.5573 0.4945 -0.0044 -0.0008 -0.0134 173 GLN C NE2 6737 N N . VAL C 107 ? 0.4609 0.5002 0.4443 -0.0032 -0.0054 -0.0133 174 VAL C N 6738 C CA . VAL C 107 ? 0.4646 0.5018 0.4469 -0.0034 -0.0064 -0.0133 174 VAL C CA 6739 C C . VAL C 107 ? 0.4764 0.5122 0.4571 -0.0035 -0.0064 -0.0132 174 VAL C C 6740 O O . VAL C 107 ? 0.5091 0.5430 0.4885 -0.0039 -0.0073 -0.0130 174 VAL C O 6741 C CB . VAL C 107 ? 0.5590 0.5962 0.5425 -0.0025 -0.0069 -0.0136 174 VAL C CB 6742 C CG1 . VAL C 107 ? 0.5815 0.6174 0.5648 -0.0020 -0.0075 -0.0138 174 VAL C CG1 6743 C CG2 . VAL C 107 ? 0.5553 0.5919 0.5389 -0.0027 -0.0074 -0.0135 174 VAL C CG2 6744 N N . CYS C 108 ? 0.4664 0.5029 0.4473 -0.0031 -0.0056 -0.0134 175 CYS C N 6745 C CA . CYS C 108 ? 0.4868 0.5218 0.4659 -0.0034 -0.0056 -0.0134 175 CYS C CA 6746 C C . CYS C 108 ? 0.4944 0.5304 0.4736 -0.0029 -0.0044 -0.0136 175 CYS C C 6747 O O . CYS C 108 ? 0.4760 0.5137 0.4568 -0.0023 -0.0038 -0.0138 175 CYS C O 6748 C CB . CYS C 108 ? 0.5494 0.5831 0.5284 -0.0031 -0.0067 -0.0134 175 CYS C CB 6749 S SG . CYS C 108 ? 0.6720 0.7070 0.6528 -0.0020 -0.0064 -0.0138 175 CYS C SG 6750 N N . ILE C 109 ? 0.4582 0.4928 0.4356 -0.0032 -0.0040 -0.0136 176 ILE C N 6751 C CA . ILE C 109 ? 0.4428 0.4779 0.4198 -0.0028 -0.0028 -0.0139 176 ILE C CA 6752 C C . ILE C 109 ? 0.4139 0.4482 0.3909 -0.0021 -0.0032 -0.0141 176 ILE C C 6753 O O . ILE C 109 ? 0.4362 0.4690 0.4123 -0.0025 -0.0041 -0.0140 176 ILE C O 6754 C CB . ILE C 109 ? 0.4473 0.4809 0.4219 -0.0036 -0.0021 -0.0139 176 ILE C CB 6755 C CG1 . ILE C 109 ? 0.4680 0.5019 0.4421 -0.0047 -0.0018 -0.0137 176 ILE C CG1 6756 C CG2 . ILE C 109 ? 0.5000 0.5341 0.4743 -0.0029 -0.0007 -0.0143 176 ILE C CG2 6757 C CD1 . ILE C 109 ? 0.5118 0.5441 0.4831 -0.0058 -0.0011 -0.0136 176 ILE C CD1 6758 N N . ALA C 110 ? 0.4377 0.4730 0.4157 -0.0011 -0.0027 -0.0144 177 ALA C N 6759 C CA . ALA C 110 ? 0.4318 0.4663 0.4097 -0.0007 -0.0031 -0.0145 177 ALA C CA 6760 C C . ALA C 110 ? 0.4222 0.4569 0.4002 0.0001 -0.0023 -0.0148 177 ALA C C 6761 O O . ALA C 110 ? 0.4569 0.4932 0.4364 0.0008 -0.0020 -0.0149 177 ALA C O 6762 C CB . ALA C 110 ? 0.4305 0.4656 0.4100 -0.0007 -0.0041 -0.0145 177 ALA C CB 6763 N N . TRP C 111 ? 0.4333 0.4662 0.4095 0.0002 -0.0022 -0.0150 178 TRP C N 6764 C CA . TRP C 111 ? 0.4091 0.4417 0.3851 0.0010 -0.0018 -0.0153 178 TRP C CA 6765 C C . TRP C 111 ? 0.4261 0.4580 0.4019 0.0007 -0.0026 -0.0153 178 TRP C C 6766 O O . TRP C 111 ? 0.4198 0.4507 0.3948 0.0011 -0.0024 -0.0155 178 TRP C O 6767 C CB . TRP C 111 ? 0.3857 0.4168 0.3596 0.0015 -0.0008 -0.0155 178 TRP C CB 6768 C CG . TRP C 111 ? 0.4300 0.4590 0.4014 0.0007 -0.0006 -0.0155 178 TRP C CG 6769 C CD1 . TRP C 111 ? 0.4327 0.4612 0.4028 0.0005 0.0002 -0.0155 178 TRP C CD1 6770 C CD2 . TRP C 111 ? 0.4209 0.4479 0.3904 0.0000 -0.0013 -0.0154 178 TRP C CD2 6771 N NE1 . TRP C 111 ? 0.4175 0.4435 0.3849 -0.0003 0.0000 -0.0155 178 TRP C NE1 6772 C CE2 . TRP C 111 ? 0.4612 0.4862 0.4282 -0.0007 -0.0009 -0.0154 178 TRP C CE2 6773 C CE3 . TRP C 111 ? 0.4514 0.4780 0.4210 -0.0004 -0.0022 -0.0155 178 TRP C CE3 6774 C CZ2 . TRP C 111 ? 0.4248 0.4476 0.3895 -0.0017 -0.0016 -0.0153 178 TRP C CZ2 6775 C CZ3 . TRP C 111 ? 0.4602 0.4849 0.4278 -0.0014 -0.0028 -0.0154 178 TRP C CZ3 6776 C CH2 . TRP C 111 ? 0.4225 0.4453 0.3877 -0.0020 -0.0025 -0.0153 178 TRP C CH2 6777 N N . SER C 112 ? 0.4289 0.4611 0.4055 0.0000 -0.0035 -0.0152 179 SER C N 6778 C CA . SER C 112 ? 0.4162 0.4486 0.3935 -0.0003 -0.0042 -0.0154 179 SER C CA 6779 C C . SER C 112 ? 0.3974 0.4311 0.3765 -0.0006 -0.0050 -0.0153 179 SER C C 6780 O O . SER C 112 ? 0.4182 0.4516 0.3970 -0.0009 -0.0053 -0.0150 179 SER C O 6781 C CB . SER C 112 ? 0.4763 0.5070 0.4517 -0.0010 -0.0044 -0.0155 179 SER C CB 6782 O OG . SER C 112 ? 0.4741 0.5054 0.4504 -0.0014 -0.0049 -0.0157 179 SER C OG 6783 N N . SER C 113 ? 0.4133 0.4480 0.3940 -0.0005 -0.0053 -0.0155 180 SER C N 6784 C CA . SER C 113 ? 0.4238 0.4595 0.4062 -0.0006 -0.0060 -0.0154 180 SER C CA 6785 C C . SER C 113 ? 0.4674 0.5042 0.4514 -0.0007 -0.0063 -0.0158 180 SER C C 6786 O O . SER C 113 ? 0.4791 0.5158 0.4628 -0.0007 -0.0058 -0.0161 180 SER C O 6787 C CB . SER C 113 ? 0.4752 0.5117 0.4584 -0.0003 -0.0057 -0.0152 180 SER C CB 6788 O OG . SER C 113 ? 0.4884 0.5257 0.4725 0.0000 -0.0054 -0.0154 180 SER C OG 6789 N N . SER C 114 ? 0.4073 0.4446 0.3927 -0.0006 -0.0070 -0.0158 181 SER C N 6790 C CA . SER C 114 ? 0.4509 0.4894 0.4381 -0.0005 -0.0072 -0.0163 181 SER C CA 6791 C C . SER C 114 ? 0.4721 0.5108 0.4603 -0.0001 -0.0077 -0.0162 181 SER C C 6792 O O . SER C 114 ? 0.4544 0.4923 0.4419 -0.0002 -0.0083 -0.0157 181 SER C O 6793 C CB . SER C 114 ? 0.4335 0.4725 0.4213 -0.0009 -0.0076 -0.0166 181 SER C CB 6794 O OG . SER C 114 ? 0.4716 0.5121 0.4615 -0.0007 -0.0077 -0.0171 181 SER C OG 6795 N N . SER C 115 ? 0.4616 0.5010 0.4511 0.0001 -0.0075 -0.0165 182 SER C N 6796 C CA . SER C 115 ? 0.4385 0.4776 0.4285 0.0005 -0.0081 -0.0164 182 SER C CA 6797 C C . SER C 115 ? 0.4417 0.4816 0.4334 0.0009 -0.0081 -0.0171 182 SER C C 6798 O O . SER C 115 ? 0.4503 0.4911 0.4427 0.0007 -0.0074 -0.0176 182 SER C O 6799 C CB . SER C 115 ? 0.4447 0.4833 0.4340 0.0004 -0.0077 -0.0161 182 SER C CB 6800 O OG . SER C 115 ? 0.4926 0.5308 0.4805 0.0001 -0.0075 -0.0156 182 SER C OG 6801 N N . CYS C 116 ? 0.4116 0.4512 0.4041 0.0014 -0.0089 -0.0171 183 CYS C N 6802 C CA . CYS C 116 ? 0.4449 0.4851 0.4390 0.0020 -0.0088 -0.0178 183 CYS C CA 6803 C C . CYS C 116 ? 0.4657 0.5048 0.4598 0.0027 -0.0097 -0.0177 183 CYS C C 6804 O O . CYS C 116 ? 0.4996 0.5373 0.4925 0.0026 -0.0106 -0.0171 183 CYS C O 6805 C CB . CYS C 116 ? 0.5145 0.5566 0.5105 0.0022 -0.0089 -0.0184 183 CYS C CB 6806 S SG . CYS C 116 ? 0.5835 0.6256 0.5796 0.0021 -0.0102 -0.0179 183 CYS C SG 6807 N N . HIS C 117 ? 0.4482 0.4873 0.4433 0.0033 -0.0094 -0.0183 184 HIS C N 6808 C CA . HIS C 117 ? 0.4485 0.4860 0.4433 0.0040 -0.0102 -0.0183 184 HIS C CA 6809 C C . HIS C 117 ? 0.4789 0.5175 0.4761 0.0052 -0.0106 -0.0190 184 HIS C C 6810 O O . HIS C 117 ? 0.4533 0.4938 0.4522 0.0053 -0.0097 -0.0198 184 HIS C O 6811 C CB . HIS C 117 ? 0.4121 0.4485 0.4058 0.0038 -0.0094 -0.0184 184 HIS C CB 6812 C CG . HIS C 117 ? 0.4486 0.4826 0.4409 0.0042 -0.0102 -0.0182 184 HIS C CG 6813 N ND1 . HIS C 117 ? 0.4716 0.5049 0.4648 0.0054 -0.0107 -0.0187 184 HIS C ND1 6814 C CD2 . HIS C 117 ? 0.4500 0.4820 0.4400 0.0035 -0.0106 -0.0175 184 HIS C CD2 6815 C CE1 . HIS C 117 ? 0.4202 0.4508 0.4113 0.0054 -0.0114 -0.0183 184 HIS C CE1 6816 N NE2 . HIS C 117 ? 0.4668 0.4966 0.4559 0.0042 -0.0114 -0.0176 184 HIS C NE2 6817 N N . ASP C 118 ? 0.4506 0.4882 0.4479 0.0060 -0.0120 -0.0188 185 ASP C N 6818 C CA . ASP C 118 ? 0.4642 0.5032 0.4641 0.0073 -0.0127 -0.0195 185 ASP C CA 6819 C C . ASP C 118 ? 0.4645 0.5024 0.4649 0.0086 -0.0127 -0.0201 185 ASP C C 6820 O O . ASP C 118 ? 0.4649 0.5038 0.4676 0.0100 -0.0133 -0.0207 185 ASP C O 6821 C CB . ASP C 118 ? 0.4624 0.5009 0.4623 0.0077 -0.0145 -0.0189 185 ASP C CB 6822 C CG . ASP C 118 ? 0.5021 0.5372 0.4995 0.0079 -0.0158 -0.0182 185 ASP C CG 6823 O OD1 . ASP C 118 ? 0.5219 0.5550 0.5177 0.0079 -0.0153 -0.0182 185 ASP C OD1 6824 O OD2 . ASP C 118 ? 0.5366 0.5708 0.5335 0.0080 -0.0173 -0.0176 185 ASP C OD2 6825 N N . GLY C 119 ? 0.4651 0.5011 0.4635 0.0082 -0.0119 -0.0200 186 GLY C N 6826 C CA . GLY C 119 ? 0.4944 0.5284 0.4923 0.0092 -0.0119 -0.0205 186 GLY C CA 6827 C C . GLY C 119 ? 0.5199 0.5502 0.5149 0.0093 -0.0132 -0.0197 186 GLY C C 6828 O O . GLY C 119 ? 0.5895 0.6175 0.5829 0.0096 -0.0131 -0.0199 186 GLY C O 6829 N N . LYS C 120 ? 0.5533 0.5829 0.5473 0.0089 -0.0145 -0.0189 187 LYS C N 6830 C CA . LYS C 120 ? 0.6084 0.6344 0.5992 0.0085 -0.0157 -0.0181 187 LYS C CA 6831 C C . LYS C 120 ? 0.5652 0.5906 0.5537 0.0067 -0.0153 -0.0172 187 LYS C C 6832 O O . LYS C 120 ? 0.6145 0.6373 0.6002 0.0059 -0.0156 -0.0167 187 LYS C O 6833 C CB . LYS C 120 ? 0.7233 0.7482 0.7142 0.0094 -0.0176 -0.0177 187 LYS C CB 6834 C CG . LYS C 120 ? 0.7884 0.8138 0.7818 0.0116 -0.0183 -0.0186 187 LYS C CG 6835 C CD . LYS C 120 ? 0.9267 0.9502 0.9197 0.0126 -0.0205 -0.0182 187 LYS C CD 6836 C CE . LYS C 120 ? 1.0493 1.0726 1.0444 0.0150 -0.0211 -0.0191 187 LYS C CE 6837 N NZ . LYS C 120 ? 1.1048 1.1304 1.1031 0.0164 -0.0226 -0.0193 187 LYS C NZ 6838 N N . ALA C 121 ? 0.5276 0.5554 0.5171 0.0059 -0.0149 -0.0170 188 ALA C N 6839 C CA . ALA C 121 ? 0.4760 0.5035 0.4635 0.0044 -0.0146 -0.0162 188 ALA C CA 6840 C C . ALA C 121 ? 0.4885 0.5188 0.4774 0.0038 -0.0135 -0.0163 188 ALA C C 6841 O O . ALA C 121 ? 0.4843 0.5168 0.4756 0.0044 -0.0133 -0.0168 188 ALA C O 6842 C CB . ALA C 121 ? 0.4909 0.5163 0.4764 0.0041 -0.0160 -0.0155 188 ALA C CB 6843 N N . TRP C 122 ? 0.4943 0.5246 0.4817 0.0026 -0.0129 -0.0158 189 TRP C N 6844 C CA . TRP C 122 ? 0.4742 0.5066 0.4624 0.0021 -0.0120 -0.0157 189 TRP C CA 6845 C C . TRP C 122 ? 0.4646 0.4970 0.4525 0.0019 -0.0128 -0.0154 189 TRP C C 6846 O O . TRP C 122 ? 0.4218 0.4524 0.4079 0.0015 -0.0136 -0.0148 189 TRP C O 6847 C CB . TRP C 122 ? 0.4894 0.5219 0.4762 0.0010 -0.0111 -0.0153 189 TRP C CB 6848 C CG . TRP C 122 ? 0.5041 0.5371 0.4915 0.0011 -0.0103 -0.0157 189 TRP C CG 6849 C CD1 . TRP C 122 ? 0.4890 0.5208 0.4753 0.0008 -0.0103 -0.0156 189 TRP C CD1 6850 C CD2 . TRP C 122 ? 0.4482 0.4830 0.4371 0.0013 -0.0094 -0.0162 189 TRP C CD2 6851 N NE1 . TRP C 122 ? 0.5565 0.5891 0.5436 0.0008 -0.0095 -0.0161 189 TRP C NE1 6852 C CE2 . TRP C 122 ? 0.5071 0.5414 0.4956 0.0011 -0.0089 -0.0165 189 TRP C CE2 6853 C CE3 . TRP C 122 ? 0.4522 0.4886 0.4423 0.0014 -0.0090 -0.0165 189 TRP C CE3 6854 C CZ2 . TRP C 122 ? 0.4971 0.5326 0.4865 0.0011 -0.0080 -0.0170 189 TRP C CZ2 6855 C CZ3 . TRP C 122 ? 0.4732 0.5106 0.4640 0.0014 -0.0081 -0.0171 189 TRP C CZ3 6856 C CH2 . TRP C 122 ? 0.4980 0.5349 0.4884 0.0012 -0.0076 -0.0172 189 TRP C CH2 6857 N N . LEU C 123 ? 0.4467 0.4810 0.4360 0.0020 -0.0123 -0.0157 190 LEU C N 6858 C CA . LEU C 123 ? 0.4378 0.4722 0.4265 0.0015 -0.0126 -0.0154 190 LEU C CA 6859 C C . LEU C 123 ? 0.4637 0.4991 0.4519 0.0008 -0.0113 -0.0153 190 LEU C C 6860 O O . LEU C 123 ? 0.4776 0.5143 0.4669 0.0009 -0.0104 -0.0157 190 LEU C O 6861 C CB . LEU C 123 ? 0.4841 0.5200 0.4748 0.0020 -0.0132 -0.0158 190 LEU C CB 6862 C CG . LEU C 123 ? 0.4450 0.4810 0.4350 0.0013 -0.0135 -0.0155 190 LEU C CG 6863 C CD1 . LEU C 123 ? 0.4472 0.4810 0.4351 0.0010 -0.0148 -0.0148 190 LEU C CD1 6864 C CD2 . LEU C 123 ? 0.4851 0.5231 0.4774 0.0017 -0.0139 -0.0160 190 LEU C CD2 6865 N N . HIS C 124 ? 0.4380 0.4725 0.4244 0.0001 -0.0112 -0.0148 191 HIS C N 6866 C CA . HIS C 124 ? 0.4635 0.4987 0.4493 -0.0002 -0.0102 -0.0148 191 HIS C CA 6867 C C . HIS C 124 ? 0.4418 0.4763 0.4265 -0.0007 -0.0105 -0.0146 191 HIS C C 6868 O O . HIS C 124 ? 0.4613 0.4943 0.4445 -0.0010 -0.0113 -0.0142 191 HIS C O 6869 C CB . HIS C 124 ? 0.4234 0.4581 0.4079 -0.0007 -0.0094 -0.0144 191 HIS C CB 6870 C CG . HIS C 124 ? 0.4497 0.4847 0.4348 -0.0006 -0.0093 -0.0145 191 HIS C CG 6871 N ND1 . HIS C 124 ? 0.4998 0.5360 0.4861 -0.0003 -0.0087 -0.0149 191 HIS C ND1 6872 C CD2 . HIS C 124 ? 0.4634 0.4972 0.4476 -0.0009 -0.0097 -0.0142 191 HIS C CD2 6873 C CE1 . HIS C 124 ? 0.4309 0.4668 0.4172 -0.0003 -0.0087 -0.0148 191 HIS C CE1 6874 N NE2 . HIS C 124 ? 0.4608 0.4953 0.4458 -0.0007 -0.0093 -0.0144 191 HIS C NE2 6875 N N . VAL C 125 ? 0.4480 0.4833 0.4329 -0.0007 -0.0099 -0.0148 192 VAL C N 6876 C CA . VAL C 125 ? 0.4754 0.5099 0.4589 -0.0013 -0.0099 -0.0147 192 VAL C CA 6877 C C . VAL C 125 ? 0.4867 0.5210 0.4688 -0.0015 -0.0087 -0.0146 192 VAL C C 6878 O O . VAL C 125 ? 0.4855 0.5206 0.4681 -0.0012 -0.0078 -0.0149 192 VAL C O 6879 C CB . VAL C 125 ? 0.5183 0.5539 0.5030 -0.0013 -0.0101 -0.0151 192 VAL C CB 6880 C CG1 . VAL C 125 ? 0.5102 0.5446 0.4929 -0.0020 -0.0103 -0.0149 192 VAL C CG1 6881 C CG2 . VAL C 125 ? 0.4612 0.4978 0.4479 -0.0008 -0.0113 -0.0153 192 VAL C CG2 6882 N N . CYS C 126 ? 0.4491 0.4819 0.4290 -0.0020 -0.0086 -0.0143 193 CYS C N 6883 C CA . CYS C 126 ? 0.4894 0.5221 0.4683 -0.0020 -0.0073 -0.0142 193 CYS C CA 6884 C C . CYS C 126 ? 0.4925 0.5235 0.4690 -0.0025 -0.0071 -0.0141 193 CYS C C 6885 O O . CYS C 126 ? 0.4614 0.4910 0.4363 -0.0031 -0.0077 -0.0138 193 CYS C O 6886 C CB . CYS C 126 ? 0.5782 0.6108 0.5568 -0.0022 -0.0072 -0.0139 193 CYS C CB 6887 S SG . CYS C 126 ? 0.6377 0.6717 0.6185 -0.0018 -0.0075 -0.0140 193 CYS C SG 6888 N N . VAL C 127 ? 0.4986 0.5295 0.4745 -0.0022 -0.0062 -0.0144 194 VAL C N 6889 C CA . VAL C 127 ? 0.5108 0.5398 0.4841 -0.0027 -0.0058 -0.0144 194 VAL C CA 6890 C C . VAL C 127 ? 0.4904 0.5192 0.4627 -0.0023 -0.0044 -0.0145 194 VAL C C 6891 O O . VAL C 127 ? 0.4457 0.4759 0.4194 -0.0015 -0.0037 -0.0147 194 VAL C O 6892 C CB . VAL C 127 ? 0.5118 0.5405 0.4848 -0.0027 -0.0059 -0.0146 194 VAL C CB 6893 C CG1 . VAL C 127 ? 0.5331 0.5594 0.5030 -0.0034 -0.0058 -0.0146 194 VAL C CG1 6894 C CG2 . VAL C 127 ? 0.4786 0.5084 0.4535 -0.0029 -0.0071 -0.0147 194 VAL C CG2 6895 N N . THR C 128 ? 0.4416 0.4688 0.4116 -0.0029 -0.0041 -0.0144 195 THR C N 6896 C CA . THR C 128 ? 0.4653 0.4924 0.4343 -0.0026 -0.0025 -0.0146 195 THR C CA 6897 C C . THR C 128 ? 0.4608 0.4852 0.4263 -0.0034 -0.0021 -0.0146 195 THR C C 6898 O O . THR C 128 ? 0.4755 0.4983 0.4396 -0.0043 -0.0032 -0.0143 195 THR C O 6899 C CB . THR C 128 ? 0.4412 0.4701 0.4116 -0.0026 -0.0020 -0.0145 195 THR C CB 6900 O OG1 . THR C 128 ? 0.4670 0.4963 0.4369 -0.0022 -0.0004 -0.0148 195 THR C OG1 6901 C CG2 . THR C 128 ? 0.4307 0.4584 0.3998 -0.0038 -0.0027 -0.0141 195 THR C CG2 6902 N N . GLY C 129 ? 0.4602 0.4842 0.4246 -0.0031 -0.0006 -0.0149 196 GLY C N 6903 C CA . GLY C 129 ? 0.4578 0.4791 0.4187 -0.0038 0.0001 -0.0150 196 GLY C CA 6904 C C . GLY C 129 ? 0.4765 0.4962 0.4356 -0.0032 0.0008 -0.0154 196 GLY C C 6905 O O . GLY C 129 ? 0.4556 0.4762 0.4162 -0.0020 0.0012 -0.0156 196 GLY C O 6906 N N . ASP C 130 ? 0.5199 0.5365 0.4754 -0.0040 0.0012 -0.0155 197 ASP C N 6907 C CA . ASP C 130 ? 0.5190 0.5332 0.4720 -0.0036 0.0020 -0.0158 197 ASP C CA 6908 C C . ASP C 130 ? 0.5471 0.5612 0.5008 -0.0034 0.0007 -0.0157 197 ASP C C 6909 O O . ASP C 130 ? 0.4916 0.5061 0.4460 -0.0043 -0.0008 -0.0153 197 ASP C O 6910 C CB . ASP C 130 ? 0.5309 0.5414 0.4794 -0.0049 0.0021 -0.0158 197 ASP C CB 6911 C CG . ASP C 130 ? 0.6048 0.6148 0.5518 -0.0052 0.0037 -0.0161 197 ASP C CG 6912 O OD1 . ASP C 130 ? 0.6197 0.6319 0.5687 -0.0041 0.0051 -0.0165 197 ASP C OD1 6913 O OD2 . ASP C 130 ? 0.7100 0.7174 0.6538 -0.0068 0.0034 -0.0159 197 ASP C OD2 6914 N N . ASP C 131 ? 0.5910 0.6044 0.5442 -0.0023 0.0015 -0.0161 198 ASP C N 6915 C CA . ASP C 131 ? 0.6057 0.6186 0.5589 -0.0024 0.0006 -0.0161 198 ASP C CA 6916 C C . ASP C 131 ? 0.6496 0.6608 0.6010 -0.0041 -0.0008 -0.0157 198 ASP C C 6917 O O . ASP C 131 ? 0.5836 0.5962 0.5368 -0.0046 -0.0021 -0.0155 198 ASP C O 6918 C CB . ASP C 131 ? 0.6673 0.6779 0.6183 -0.0013 0.0016 -0.0165 198 ASP C CB 6919 C CG . ASP C 131 ? 0.6809 0.6935 0.6343 0.0005 0.0025 -0.0168 198 ASP C CG 6920 O OD1 . ASP C 131 ? 0.7488 0.7646 0.7055 0.0010 0.0025 -0.0167 198 ASP C OD1 6921 O OD2 . ASP C 131 ? 0.7959 0.8068 0.7479 0.0015 0.0030 -0.0171 198 ASP C OD2 6922 N N . ARG C 132 ? 0.6201 0.6283 0.5679 -0.0051 -0.0005 -0.0157 199 ARG C N 6923 C CA . ARG C 132 ? 0.6528 0.6589 0.5982 -0.0067 -0.0018 -0.0154 199 ARG C CA 6924 C C . ARG C 132 ? 0.5726 0.5790 0.5181 -0.0079 -0.0030 -0.0150 199 ARG C C 6925 O O . ARG C 132 ? 0.5738 0.5781 0.5169 -0.0094 -0.0042 -0.0147 199 ARG C O 6926 C CB . ARG C 132 ? 0.8607 0.8626 0.8013 -0.0071 -0.0009 -0.0157 199 ARG C CB 6927 C CG . ARG C 132 ? 0.9759 0.9769 0.9158 -0.0057 0.0001 -0.0162 199 ARG C CG 6928 C CD . ARG C 132 ? 1.0001 0.9997 0.9388 -0.0064 -0.0007 -0.0162 199 ARG C CD 6929 N NE . ARG C 132 ? 1.1873 1.1865 1.1261 -0.0049 0.0001 -0.0166 199 ARG C NE 6930 C CZ . ARG C 132 ? 1.3328 1.3302 1.2699 -0.0053 -0.0002 -0.0167 199 ARG C CZ 6931 N NH1 . ARG C 132 ? 1.3211 1.3172 1.2563 -0.0073 -0.0013 -0.0164 199 ARG C NH1 6932 N NH2 . ARG C 132 ? 1.2707 1.2676 1.2078 -0.0038 0.0005 -0.0170 199 ARG C NH2 6933 N N . ASN C 133 ? 0.5696 0.5780 0.5172 -0.0075 -0.0028 -0.0148 200 ASN C N 6934 C CA . ASN C 133 ? 0.5164 0.5247 0.4639 -0.0086 -0.0041 -0.0143 200 ASN C CA 6935 C C . ASN C 133 ? 0.5152 0.5267 0.4664 -0.0078 -0.0042 -0.0142 200 ASN C C 6936 O O . ASN C 133 ? 0.4214 0.4328 0.3722 -0.0081 -0.0039 -0.0141 200 ASN C O 6937 C CB . ASN C 133 ? 0.5030 0.5080 0.4462 -0.0096 -0.0033 -0.0143 200 ASN C CB 6938 C CG . ASN C 133 ? 0.4894 0.4930 0.4311 -0.0112 -0.0052 -0.0137 200 ASN C CG 6939 O OD1 . ASN C 133 ? 0.4785 0.4832 0.4219 -0.0116 -0.0071 -0.0133 200 ASN C OD1 6940 N ND2 . ASN C 133 ? 0.5591 0.5604 0.4978 -0.0121 -0.0046 -0.0136 200 ASN C ND2 6941 N N . ALA C 134 ? 0.5203 0.5344 0.4749 -0.0070 -0.0048 -0.0143 201 ALA C N 6942 C CA . ALA C 134 ? 0.4863 0.5034 0.4445 -0.0062 -0.0048 -0.0142 201 ALA C CA 6943 C C . ALA C 134 ? 0.4956 0.5131 0.4547 -0.0068 -0.0064 -0.0137 201 ALA C C 6944 O O . ALA C 134 ? 0.5192 0.5355 0.4772 -0.0078 -0.0078 -0.0135 201 ALA C O 6945 C CB . ALA C 134 ? 0.5228 0.5421 0.4837 -0.0052 -0.0047 -0.0145 201 ALA C CB 6946 N N . THR C 135 ? 0.4766 0.4961 0.4380 -0.0063 -0.0064 -0.0137 202 THR C N 6947 C CA . THR C 135 ? 0.4523 0.4723 0.4150 -0.0066 -0.0079 -0.0133 202 THR C CA 6948 C C . THR C 135 ? 0.4506 0.4735 0.4171 -0.0056 -0.0082 -0.0134 202 THR C C 6949 O O . THR C 135 ? 0.5165 0.5410 0.4844 -0.0048 -0.0070 -0.0137 202 THR C O 6950 C CB . THR C 135 ? 0.4750 0.4942 0.4365 -0.0071 -0.0077 -0.0130 202 THR C CB 6951 O OG1 . THR C 135 ? 0.5104 0.5268 0.4681 -0.0081 -0.0072 -0.0130 202 THR C OG1 6952 C CG2 . THR C 135 ? 0.5016 0.5208 0.4640 -0.0073 -0.0095 -0.0126 202 THR C CG2 6953 N N . ALA C 136 ? 0.4335 0.4571 0.4016 -0.0056 -0.0097 -0.0133 203 ALA C N 6954 C CA . ALA C 136 ? 0.4796 0.5057 0.4511 -0.0047 -0.0100 -0.0135 203 ALA C CA 6955 C C . ALA C 136 ? 0.4804 0.5062 0.4523 -0.0047 -0.0112 -0.0131 203 ALA C C 6956 O O . ALA C 136 ? 0.4939 0.5187 0.4652 -0.0051 -0.0127 -0.0128 203 ALA C O 6957 C CB . ALA C 136 ? 0.4580 0.4855 0.4314 -0.0045 -0.0108 -0.0137 203 ALA C CB 6958 N N . SER C 137 ? 0.4643 0.4910 0.4372 -0.0043 -0.0105 -0.0132 204 SER C N 6959 C CA . SER C 137 ? 0.4895 0.5157 0.4627 -0.0043 -0.0115 -0.0129 204 SER C CA 6960 C C . SER C 137 ? 0.4682 0.4963 0.4444 -0.0033 -0.0121 -0.0131 204 SER C C 6961 O O . SER C 137 ? 0.5308 0.5607 0.5088 -0.0028 -0.0112 -0.0135 204 SER C O 6962 C CB . SER C 137 ? 0.4540 0.4799 0.4261 -0.0047 -0.0104 -0.0128 204 SER C CB 6963 O OG . SER C 137 ? 0.4850 0.5091 0.4542 -0.0056 -0.0098 -0.0126 204 SER C OG 6964 N N . PHE C 138 ? 0.5012 0.5285 0.4777 -0.0032 -0.0136 -0.0129 205 PHE C N 6965 C CA . PHE C 138 ? 0.4988 0.5275 0.4780 -0.0022 -0.0143 -0.0132 205 PHE C CA 6966 C C . PHE C 138 ? 0.4582 0.4857 0.4367 -0.0021 -0.0146 -0.0130 205 PHE C C 6967 O O . PHE C 138 ? 0.4643 0.4895 0.4408 -0.0026 -0.0158 -0.0125 205 PHE C O 6968 C CB . PHE C 138 ? 0.4777 0.5067 0.4581 -0.0018 -0.0159 -0.0133 205 PHE C CB 6969 C CG . PHE C 138 ? 0.4989 0.5290 0.4798 -0.0021 -0.0156 -0.0135 205 PHE C CG 6970 C CD1 . PHE C 138 ? 0.4980 0.5266 0.4764 -0.0031 -0.0156 -0.0132 205 PHE C CD1 6971 C CD2 . PHE C 138 ? 0.5077 0.5404 0.4914 -0.0016 -0.0151 -0.0141 205 PHE C CD2 6972 C CE1 . PHE C 138 ? 0.5519 0.5812 0.5304 -0.0035 -0.0154 -0.0134 205 PHE C CE1 6973 C CE2 . PHE C 138 ? 0.4761 0.5097 0.4599 -0.0021 -0.0148 -0.0143 205 PHE C CE2 6974 C CZ . PHE C 138 ? 0.5421 0.5739 0.5233 -0.0030 -0.0150 -0.0139 205 PHE C CZ 6975 N N . ILE C 139 ? 0.4307 0.4594 0.4106 -0.0017 -0.0137 -0.0133 206 ILE C N 6976 C CA . ILE C 139 ? 0.4437 0.4713 0.4227 -0.0018 -0.0138 -0.0130 206 ILE C CA 6977 C C . ILE C 139 ? 0.4582 0.4864 0.4392 -0.0008 -0.0143 -0.0134 206 ILE C C 6978 O O . ILE C 139 ? 0.4877 0.5180 0.4709 -0.0002 -0.0135 -0.0139 206 ILE C O 6979 C CB . ILE C 139 ? 0.5500 0.5785 0.5285 -0.0024 -0.0122 -0.0130 206 ILE C CB 6980 C CG1 . ILE C 139 ? 0.5817 0.6092 0.5579 -0.0034 -0.0117 -0.0127 206 ILE C CG1 6981 C CG2 . ILE C 139 ? 0.5023 0.5299 0.4801 -0.0028 -0.0122 -0.0128 206 ILE C CG2 6982 C CD1 . ILE C 139 ? 0.6355 0.6640 0.6113 -0.0039 -0.0101 -0.0128 206 ILE C CD1 6983 N N . TYR C 140 ? 0.4478 0.4741 0.4280 -0.0006 -0.0156 -0.0132 207 TYR C N 6984 C CA . TYR C 140 ? 0.4597 0.4861 0.4416 0.0005 -0.0163 -0.0136 207 TYR C CA 6985 C C . TYR C 140 ? 0.4846 0.5087 0.4645 0.0002 -0.0166 -0.0133 207 TYR C C 6986 O O . TYR C 140 ? 0.4843 0.5058 0.4615 -0.0004 -0.0174 -0.0127 207 TYR C O 6987 C CB . TYR C 140 ? 0.4861 0.5122 0.4690 0.0014 -0.0180 -0.0137 207 TYR C CB 6988 C CG . TYR C 140 ? 0.5009 0.5275 0.4860 0.0029 -0.0185 -0.0142 207 TYR C CG 6989 C CD1 . TYR C 140 ? 0.5521 0.5815 0.5401 0.0036 -0.0175 -0.0150 207 TYR C CD1 6990 C CD2 . TYR C 140 ? 0.5060 0.5300 0.4900 0.0036 -0.0200 -0.0140 207 TYR C CD2 6991 C CE1 . TYR C 140 ? 0.4950 0.5249 0.4849 0.0049 -0.0177 -0.0156 207 TYR C CE1 6992 C CE2 . TYR C 140 ? 0.5238 0.5482 0.5097 0.0051 -0.0203 -0.0146 207 TYR C CE2 6993 C CZ . TYR C 140 ? 0.5627 0.5902 0.5517 0.0057 -0.0190 -0.0154 207 TYR C CZ 6994 O OH . TYR C 140 ? 0.5652 0.5932 0.5562 0.0072 -0.0191 -0.0162 207 TYR C OH 6995 N N . ASP C 141 ? 0.5821 0.6069 0.5631 0.0006 -0.0159 -0.0137 208 ASP C N 6996 C CA . ASP C 141 ? 0.5614 0.5839 0.5404 0.0002 -0.0160 -0.0135 208 ASP C CA 6997 C C . ASP C 141 ? 0.5281 0.5495 0.5044 -0.0014 -0.0156 -0.0128 208 ASP C C 6998 O O . ASP C 141 ? 0.5395 0.5579 0.5130 -0.0021 -0.0165 -0.0124 208 ASP C O 6999 C CB . ASP C 141 ? 0.5921 0.6120 0.5703 0.0011 -0.0178 -0.0134 208 ASP C CB 7000 C CG . ASP C 141 ? 0.7123 0.7301 0.6893 0.0013 -0.0179 -0.0135 208 ASP C CG 7001 O OD1 . ASP C 141 ? 0.7465 0.7653 0.7236 0.0007 -0.0166 -0.0137 208 ASP C OD1 7002 O OD2 . ASP C 141 ? 0.7297 0.7446 0.7053 0.0020 -0.0193 -0.0134 208 ASP C OD2 7003 N N . GLY C 142 ? 0.5270 0.5505 0.5038 -0.0021 -0.0143 -0.0128 209 GLY C N 7004 C CA . GLY C 142 ? 0.5173 0.5403 0.4919 -0.0036 -0.0137 -0.0123 209 GLY C CA 7005 C C . GLY C 142 ? 0.5703 0.5914 0.5426 -0.0044 -0.0143 -0.0119 209 GLY C C 7006 O O . GLY C 142 ? 0.6023 0.6229 0.5727 -0.0058 -0.0136 -0.0116 209 GLY C O 7007 N N . MET C 143 ? 0.5168 0.5369 0.4892 -0.0036 -0.0156 -0.0119 210 MET C N 7008 C CA . MET C 143 ? 0.5879 0.6058 0.5577 -0.0045 -0.0163 -0.0114 210 MET C CA 7009 C C . MET C 143 ? 0.5880 0.6073 0.5590 -0.0041 -0.0163 -0.0116 210 MET C C 7010 O O . MET C 143 ? 0.5632 0.5843 0.5369 -0.0028 -0.0166 -0.0120 210 MET C O 7011 C CB . MET C 143 ? 0.6188 0.6334 0.5869 -0.0041 -0.0184 -0.0111 210 MET C CB 7012 C CG . MET C 143 ? 0.7256 0.7378 0.6917 -0.0045 -0.0188 -0.0109 210 MET C CG 7013 S SD . MET C 143 ? 0.9993 1.0076 0.9639 -0.0035 -0.0215 -0.0107 210 MET C SD 7014 C CE . MET C 143 ? 1.2430 1.2492 1.2060 -0.0037 -0.0213 -0.0107 210 MET C CE 7015 N N . LEU C 144 ? 0.5097 0.5279 0.4784 -0.0052 -0.0160 -0.0113 211 LEU C N 7016 C CA . LEU C 144 ? 0.5248 0.5435 0.4937 -0.0051 -0.0161 -0.0113 211 LEU C CA 7017 C C . LEU C 144 ? 0.5553 0.5724 0.5241 -0.0045 -0.0183 -0.0111 211 LEU C C 7018 O O . LEU C 144 ? 0.4990 0.5131 0.4652 -0.0050 -0.0196 -0.0106 211 LEU C O 7019 C CB . LEU C 144 ? 0.5992 0.6168 0.5653 -0.0065 -0.0152 -0.0111 211 LEU C CB 7020 C CG . LEU C 144 ? 0.6150 0.6336 0.5818 -0.0062 -0.0150 -0.0113 211 LEU C CG 7021 C CD1 . LEU C 144 ? 0.6271 0.6475 0.5942 -0.0065 -0.0129 -0.0116 211 LEU C CD1 7022 C CD2 . LEU C 144 ? 0.6535 0.6694 0.6176 -0.0070 -0.0163 -0.0109 211 LEU C CD2 7023 N N . ALA C 145 ? 0.5431 0.5624 0.5148 -0.0034 -0.0186 -0.0115 212 ALA C N 7024 C CA . ALA C 145 ? 0.5309 0.5495 0.5033 -0.0026 -0.0207 -0.0114 212 ALA C CA 7025 C C . ALA C 145 ? 0.5358 0.5546 0.5079 -0.0030 -0.0214 -0.0113 212 ALA C C 7026 O O . ALA C 145 ? 0.5640 0.5815 0.5357 -0.0028 -0.0234 -0.0110 212 ALA C O 7027 C CB . ALA C 145 ? 0.5278 0.5489 0.5040 -0.0010 -0.0208 -0.0120 212 ALA C CB 7028 N N . ASP C 146 ? 0.5239 0.5442 0.4962 -0.0036 -0.0198 -0.0115 213 ASP C N 7029 C CA . ASP C 146 ? 0.5531 0.5734 0.5249 -0.0041 -0.0203 -0.0114 213 ASP C CA 7030 C C . ASP C 146 ? 0.5652 0.5863 0.5362 -0.0048 -0.0183 -0.0117 213 ASP C C 7031 O O . ASP C 146 ? 0.5088 0.5312 0.4806 -0.0046 -0.0166 -0.0119 213 ASP C O 7032 C CB . ASP C 146 ? 0.5787 0.6016 0.5540 -0.0031 -0.0213 -0.0118 213 ASP C CB 7033 C CG . ASP C 146 ? 0.6845 0.7065 0.6590 -0.0035 -0.0232 -0.0114 213 ASP C CG 7034 O OD1 . ASP C 146 ? 0.5628 0.5821 0.5337 -0.0048 -0.0235 -0.0109 213 ASP C OD1 7035 O OD2 . ASP C 146 ? 0.6262 0.6503 0.6039 -0.0026 -0.0245 -0.0117 213 ASP C OD2 7036 N N . SER C 147 ? 0.4787 0.4990 0.4481 -0.0056 -0.0185 -0.0115 214 SER C N 7037 C CA . SER C 147 ? 0.4703 0.4912 0.4390 -0.0060 -0.0167 -0.0118 214 SER C CA 7038 C C . SER C 147 ? 0.4817 0.5023 0.4498 -0.0066 -0.0174 -0.0118 214 SER C C 7039 O O . SER C 147 ? 0.4676 0.4871 0.4350 -0.0070 -0.0193 -0.0114 214 SER C O 7040 C CB . SER C 147 ? 0.4871 0.5056 0.4522 -0.0071 -0.0155 -0.0116 214 SER C CB 7041 O OG . SER C 147 ? 0.4993 0.5146 0.4609 -0.0082 -0.0167 -0.0111 214 SER C OG 7042 N N . ILE C 148 ? 0.5145 0.5360 0.4827 -0.0067 -0.0160 -0.0122 215 ILE C N 7043 C CA . ILE C 148 ? 0.5436 0.5645 0.5106 -0.0075 -0.0165 -0.0121 215 ILE C CA 7044 C C . ILE C 148 ? 0.5793 0.5990 0.5438 -0.0080 -0.0145 -0.0124 215 ILE C C 7045 O O . ILE C 148 ? 0.4998 0.5206 0.4652 -0.0073 -0.0129 -0.0127 215 ILE C O 7046 C CB . ILE C 148 ? 0.5938 0.6176 0.5642 -0.0070 -0.0171 -0.0125 215 ILE C CB 7047 C CG1 . ILE C 148 ? 0.6270 0.6500 0.5961 -0.0081 -0.0182 -0.0124 215 ILE C CG1 7048 C CG2 . ILE C 148 ? 0.5641 0.5900 0.5364 -0.0063 -0.0153 -0.0131 215 ILE C CG2 7049 C CD1 . ILE C 148 ? 0.6922 0.7183 0.6649 -0.0078 -0.0192 -0.0127 215 ILE C CD1 7050 N N . GLY C 149 ? 0.6052 0.6223 0.5663 -0.0091 -0.0149 -0.0121 216 GLY C N 7051 C CA . GLY C 149 ? 0.5504 0.5660 0.5089 -0.0096 -0.0132 -0.0124 216 GLY C CA 7052 C C . GLY C 149 ? 0.5217 0.5384 0.4812 -0.0096 -0.0130 -0.0128 216 GLY C C 7053 O O . GLY C 149 ? 0.5531 0.5716 0.5148 -0.0096 -0.0142 -0.0128 216 GLY C O 7054 N N . SER C 150 ? 0.5871 0.6027 0.5447 -0.0095 -0.0113 -0.0131 217 SER C N 7055 C CA . SER C 150 ? 0.5456 0.5614 0.5030 -0.0097 -0.0109 -0.0134 217 SER C CA 7056 C C . SER C 150 ? 0.5758 0.5901 0.5313 -0.0112 -0.0125 -0.0131 217 SER C C 7057 O O . SER C 150 ? 0.5824 0.5938 0.5345 -0.0122 -0.0128 -0.0128 217 SER C O 7058 C CB . SER C 150 ? 0.4997 0.5135 0.4545 -0.0094 -0.0090 -0.0138 217 SER C CB 7059 O OG . SER C 150 ? 0.6277 0.6407 0.5813 -0.0097 -0.0087 -0.0140 217 SER C OG 7060 N N . TRP C 151 ? 0.5658 0.5821 0.5236 -0.0115 -0.0136 -0.0132 218 TRP C N 7061 C CA . TRP C 151 ? 0.5553 0.5709 0.5119 -0.0131 -0.0153 -0.0129 218 TRP C CA 7062 C C . TRP C 151 ? 0.5758 0.5890 0.5289 -0.0142 -0.0146 -0.0131 218 TRP C C 7063 O O . TRP C 151 ? 0.6670 0.6786 0.6178 -0.0157 -0.0158 -0.0128 218 TRP C O 7064 C CB . TRP C 151 ? 0.5765 0.5959 0.5375 -0.0130 -0.0168 -0.0130 218 TRP C CB 7065 C CG . TRP C 151 ? 0.6638 0.6860 0.6278 -0.0122 -0.0157 -0.0136 218 TRP C CG 7066 C CD1 . TRP C 151 ? 0.6338 0.6563 0.5974 -0.0129 -0.0151 -0.0139 218 TRP C CD1 7067 C CD2 . TRP C 151 ? 0.6449 0.6699 0.6127 -0.0107 -0.0152 -0.0138 218 TRP C CD2 7068 N NE1 . TRP C 151 ? 0.6445 0.6697 0.6112 -0.0120 -0.0142 -0.0144 218 TRP C NE1 7069 C CE2 . TRP C 151 ? 0.6162 0.6429 0.5855 -0.0106 -0.0142 -0.0144 218 TRP C CE2 7070 C CE3 . TRP C 151 ? 0.6744 0.7002 0.6439 -0.0095 -0.0155 -0.0137 218 TRP C CE3 7071 C CZ2 . TRP C 151 ? 0.6876 0.7170 0.6603 -0.0094 -0.0135 -0.0148 218 TRP C CZ2 7072 C CZ3 . TRP C 151 ? 0.6777 0.7061 0.6506 -0.0083 -0.0148 -0.0141 218 TRP C CZ3 7073 C CH2 . TRP C 151 ? 0.5957 0.6258 0.5701 -0.0082 -0.0138 -0.0146 218 TRP C CH2 7074 N N . SER C 152 ? 0.5980 0.6107 0.5504 -0.0136 -0.0129 -0.0136 219 SER C N 7075 C CA . SER C 152 ? 0.6220 0.6317 0.5704 -0.0147 -0.0122 -0.0137 219 SER C CA 7076 C C . SER C 152 ? 0.6109 0.6172 0.5557 -0.0141 -0.0104 -0.0139 219 SER C C 7077 O O . SER C 152 ? 0.6931 0.6962 0.6341 -0.0148 -0.0097 -0.0141 219 SER C O 7078 C CB . SER C 152 ? 0.6874 0.6987 0.6374 -0.0146 -0.0116 -0.0142 219 SER C CB 7079 O OG . SER C 152 ? 0.8365 0.8511 0.7899 -0.0153 -0.0131 -0.0141 219 SER C OG 7080 N N . GLN C 153 ? 0.6640 0.6711 0.6101 -0.0127 -0.0094 -0.0140 220 GLN C N 7081 C CA . GLN C 153 ? 0.7352 0.7398 0.6786 -0.0118 -0.0075 -0.0143 220 GLN C CA 7082 C C . GLN C 153 ? 0.6928 0.6967 0.6355 -0.0110 -0.0062 -0.0148 220 GLN C C 7083 O O . GLN C 153 ? 0.6666 0.6674 0.6058 -0.0107 -0.0049 -0.0151 220 GLN C O 7084 C CB . GLN C 153 ? 0.7198 0.7206 0.6586 -0.0130 -0.0074 -0.0141 220 GLN C CB 7085 C CG . GLN C 153 ? 0.8420 0.8435 0.7816 -0.0138 -0.0091 -0.0136 220 GLN C CG 7086 C CD . GLN C 153 ? 0.9545 0.9523 0.8897 -0.0148 -0.0088 -0.0134 220 GLN C CD 7087 O OE1 . GLN C 153 ? 1.0492 1.0434 0.9800 -0.0159 -0.0085 -0.0134 220 GLN C OE1 7088 N NE2 . GLN C 153 ? 0.9456 0.9441 0.8817 -0.0146 -0.0090 -0.0131 220 GLN C NE2 7089 N N . ASN C 154 ? 0.6837 0.6903 0.6296 -0.0106 -0.0065 -0.0149 221 ASN C N 7090 C CA . ASN C 154 ? 0.6792 0.6860 0.6255 -0.0093 -0.0053 -0.0153 221 ASN C CA 7091 C C . ASN C 154 ? 0.6169 0.6267 0.5669 -0.0077 -0.0048 -0.0153 221 ASN C C 7092 O O . ASN C 154 ? 0.6304 0.6409 0.5812 -0.0076 -0.0048 -0.0151 221 ASN C O 7093 C CB . ASN C 154 ? 0.7129 0.7205 0.6600 -0.0102 -0.0060 -0.0154 221 ASN C CB 7094 C CG . ASN C 154 ? 0.8120 0.8164 0.7550 -0.0120 -0.0065 -0.0154 221 ASN C CG 7095 O OD1 . ASN C 154 ? 0.7645 0.7652 0.7035 -0.0119 -0.0056 -0.0156 221 ASN C OD1 7096 N ND2 . ASN C 154 ? 0.9193 0.9251 0.8633 -0.0136 -0.0080 -0.0151 221 ASN C ND2 7097 N N . ILE C 155 ? 0.5891 0.6007 0.5415 -0.0068 -0.0044 -0.0156 222 ILE C N 7098 C CA . ILE C 155 ? 0.5448 0.5593 0.5006 -0.0054 -0.0040 -0.0156 222 ILE C CA 7099 C C . ILE C 155 ? 0.5212 0.5390 0.4808 -0.0057 -0.0051 -0.0154 222 ILE C C 7100 O O . ILE C 155 ? 0.4885 0.5073 0.4492 -0.0060 -0.0054 -0.0156 222 ILE C O 7101 C CB . ILE C 155 ? 0.5647 0.5788 0.5204 -0.0041 -0.0029 -0.0159 222 ILE C CB 7102 C CG1 . ILE C 155 ? 0.6443 0.6552 0.5964 -0.0036 -0.0018 -0.0161 222 ILE C CG1 7103 C CG2 . ILE C 155 ? 0.5850 0.6020 0.5440 -0.0028 -0.0025 -0.0159 222 ILE C CG2 7104 C CD1 . ILE C 155 ? 0.6497 0.6592 0.6008 -0.0024 -0.0009 -0.0165 222 ILE C CD1 7105 N N . LEU C 156 ? 0.5387 0.5578 0.4999 -0.0057 -0.0057 -0.0151 223 LEU C N 7106 C CA . LEU C 156 ? 0.5380 0.5600 0.5026 -0.0058 -0.0068 -0.0150 223 LEU C CA 7107 C C . LEU C 156 ? 0.5479 0.5720 0.5152 -0.0046 -0.0062 -0.0152 223 LEU C C 7108 O O . LEU C 156 ? 0.5787 0.6029 0.5462 -0.0038 -0.0054 -0.0152 223 LEU C O 7109 C CB . LEU C 156 ? 0.5344 0.5565 0.4993 -0.0062 -0.0077 -0.0146 223 LEU C CB 7110 C CG . LEU C 156 ? 0.5160 0.5406 0.4841 -0.0061 -0.0089 -0.0145 223 LEU C CG 7111 C CD1 . LEU C 156 ? 0.5566 0.5821 0.5257 -0.0069 -0.0100 -0.0146 223 LEU C CD1 7112 C CD2 . LEU C 156 ? 0.5685 0.5924 0.5361 -0.0063 -0.0098 -0.0141 223 LEU C CD2 7113 N N . ARG C 157 ? 0.5335 0.5593 0.5028 -0.0047 -0.0065 -0.0155 224 ARG C N 7114 C CA . ARG C 157 ? 0.6034 0.6309 0.5749 -0.0038 -0.0060 -0.0157 224 ARG C CA 7115 C C . ARG C 157 ? 0.5702 0.6002 0.5447 -0.0041 -0.0068 -0.0158 224 ARG C C 7116 O O . ARG C 157 ? 0.5865 0.6170 0.5613 -0.0049 -0.0076 -0.0159 224 ARG C O 7117 C CB . ARG C 157 ? 0.6588 0.6850 0.6287 -0.0037 -0.0052 -0.0160 224 ARG C CB 7118 C CG . ARG C 157 ? 0.7697 0.7943 0.7378 -0.0026 -0.0041 -0.0159 224 ARG C CG 7119 C CD . ARG C 157 ? 0.8231 0.8454 0.7887 -0.0026 -0.0036 -0.0162 224 ARG C CD 7120 N NE . ARG C 157 ? 1.1193 1.1392 1.0819 -0.0038 -0.0039 -0.0162 224 ARG C NE 7121 C CZ . ARG C 157 ? 1.2316 1.2517 1.1941 -0.0052 -0.0046 -0.0163 224 ARG C CZ 7122 N NH1 . ARG C 157 ? 1.0499 1.0677 1.0094 -0.0064 -0.0048 -0.0163 224 ARG C NH1 7123 N NH2 . ARG C 157 ? 1.3555 1.3782 1.3208 -0.0056 -0.0050 -0.0164 224 ARG C NH2 7124 N N . THR C 158 ? 0.5471 0.5787 0.5237 -0.0033 -0.0065 -0.0160 225 THR C N 7125 C CA . THR C 158 ? 0.4757 0.5095 0.4551 -0.0033 -0.0069 -0.0162 225 THR C CA 7126 C C . THR C 158 ? 0.4616 0.4961 0.4417 -0.0030 -0.0062 -0.0166 225 THR C C 7127 O O . THR C 158 ? 0.4310 0.4641 0.4092 -0.0031 -0.0056 -0.0167 225 THR C O 7128 C CB . THR C 158 ? 0.5232 0.5581 0.5043 -0.0029 -0.0077 -0.0160 225 THR C CB 7129 O OG1 . THR C 158 ? 0.4697 0.5065 0.4534 -0.0029 -0.0082 -0.0163 225 THR C OG1 7130 C CG2 . THR C 158 ? 0.4984 0.5332 0.4796 -0.0021 -0.0072 -0.0158 225 THR C CG2 7131 N N . GLN C 159 ? 0.4885 0.5249 0.4711 -0.0028 -0.0063 -0.0169 226 GLN C N 7132 C CA . GLN C 159 ? 0.4335 0.4705 0.4166 -0.0029 -0.0057 -0.0173 226 GLN C CA 7133 C C . GLN C 159 ? 0.4132 0.4492 0.3954 -0.0023 -0.0051 -0.0172 226 GLN C C 7134 O O . GLN C 159 ? 0.4628 0.4982 0.4440 -0.0026 -0.0046 -0.0175 226 GLN C O 7135 C CB . GLN C 159 ? 0.4616 0.5007 0.4475 -0.0028 -0.0060 -0.0177 226 GLN C CB 7136 C CG . GLN C 159 ? 0.4397 0.4802 0.4270 -0.0034 -0.0067 -0.0179 226 GLN C CG 7137 C CD . GLN C 159 ? 0.5002 0.5429 0.4905 -0.0030 -0.0069 -0.0184 226 GLN C CD 7138 O OE1 . GLN C 159 ? 0.5367 0.5808 0.5287 -0.0030 -0.0078 -0.0185 226 GLN C OE1 7139 N NE2 . GLN C 159 ? 0.5251 0.5682 0.5162 -0.0025 -0.0062 -0.0187 226 GLN C NE2 7140 N N . GLU C 160 ? 0.4403 0.4763 0.4227 -0.0016 -0.0051 -0.0168 227 GLU C N 7141 C CA . GLU C 160 ? 0.4582 0.4941 0.4406 -0.0009 -0.0047 -0.0167 227 GLU C CA 7142 C C . GLU C 160 ? 0.4868 0.5237 0.4705 -0.0010 -0.0046 -0.0171 227 GLU C C 7143 O O . GLU C 160 ? 0.4794 0.5159 0.4626 -0.0008 -0.0043 -0.0171 227 GLU C O 7144 C CB . GLU C 160 ? 0.4768 0.5110 0.4570 -0.0007 -0.0042 -0.0167 227 GLU C CB 7145 C CG . GLU C 160 ? 0.5370 0.5697 0.5152 -0.0008 -0.0042 -0.0165 227 GLU C CG 7146 C CD . GLU C 160 ? 0.5962 0.6289 0.5744 -0.0005 -0.0042 -0.0162 227 GLU C CD 7147 O OE1 . GLU C 160 ? 0.6623 0.6963 0.6421 -0.0001 -0.0043 -0.0160 227 GLU C OE1 7148 O OE2 . GLU C 160 ? 0.6655 0.6968 0.6419 -0.0007 -0.0041 -0.0161 227 GLU C OE2 7149 N N . SER C 161 ? 0.4809 0.5190 0.4663 -0.0012 -0.0049 -0.0174 228 SER C N 7150 C CA . SER C 161 ? 0.4839 0.5229 0.4707 -0.0012 -0.0047 -0.0177 228 SER C CA 7151 C C . SER C 161 ? 0.4534 0.4938 0.4423 -0.0010 -0.0052 -0.0179 228 SER C C 7152 O O . SER C 161 ? 0.4576 0.4979 0.4466 -0.0009 -0.0058 -0.0176 228 SER C O 7153 C CB . SER C 161 ? 0.5214 0.5603 0.5077 -0.0019 -0.0041 -0.0183 228 SER C CB 7154 O OG . SER C 161 ? 0.5629 0.6025 0.5496 -0.0026 -0.0042 -0.0186 228 SER C OG 7155 N N . GLU C 162 ? 0.4516 0.4927 0.4418 -0.0008 -0.0050 -0.0184 229 GLU C N 7156 C CA . GLU C 162 ? 0.4577 0.4997 0.4497 -0.0003 -0.0056 -0.0185 229 GLU C CA 7157 C C . GLU C 162 ? 0.4774 0.5206 0.4707 -0.0005 -0.0061 -0.0188 229 GLU C C 7158 O O . GLU C 162 ? 0.4311 0.4752 0.4248 -0.0011 -0.0056 -0.0193 229 GLU C O 7159 C CB . GLU C 162 ? 0.4788 0.5211 0.4717 0.0000 -0.0052 -0.0190 229 GLU C CB 7160 C CG . GLU C 162 ? 0.4863 0.5297 0.4803 -0.0004 -0.0045 -0.0199 229 GLU C CG 7161 C CD . GLU C 162 ? 0.5486 0.5920 0.5435 0.0000 -0.0041 -0.0204 229 GLU C CD 7162 O OE1 . GLU C 162 ? 0.5723 0.6167 0.5682 -0.0001 -0.0033 -0.0212 229 GLU C OE1 7163 O OE2 . GLU C 162 ? 0.5815 0.6240 0.5761 0.0006 -0.0046 -0.0200 229 GLU C OE2 7164 N N . CYS C 163 ? 0.4442 0.4874 0.4382 0.0000 -0.0071 -0.0185 230 CYS C N 7165 C CA . CYS C 163 ? 0.4831 0.5278 0.4789 0.0000 -0.0078 -0.0188 230 CYS C CA 7166 C C . CYS C 163 ? 0.4931 0.5391 0.4913 0.0007 -0.0076 -0.0195 230 CYS C C 7167 O O . CYS C 163 ? 0.5043 0.5498 0.5022 0.0010 -0.0069 -0.0197 230 CYS C O 7168 C CB . CYS C 163 ? 0.5114 0.5552 0.5068 0.0003 -0.0091 -0.0181 230 CYS C CB 7169 S SG . CYS C 163 ? 0.5829 0.6246 0.5768 0.0008 -0.0096 -0.0174 230 CYS C SG 7170 N N . VAL C 164 ? 0.4817 0.5294 0.4821 0.0011 -0.0083 -0.0199 231 VAL C N 7171 C CA . VAL C 164 ? 0.4658 0.5151 0.4687 0.0019 -0.0080 -0.0207 231 VAL C CA 7172 C C . VAL C 164 ? 0.4883 0.5382 0.4930 0.0030 -0.0095 -0.0207 231 VAL C C 7173 O O . VAL C 164 ? 0.4855 0.5361 0.4908 0.0028 -0.0106 -0.0204 231 VAL C O 7174 C CB . VAL C 164 ? 0.4659 0.5176 0.4704 0.0011 -0.0071 -0.0216 231 VAL C CB 7175 C CG1 . VAL C 164 ? 0.5062 0.5597 0.5133 0.0019 -0.0064 -0.0226 231 VAL C CG1 7176 C CG2 . VAL C 164 ? 0.4426 0.4933 0.4449 0.0000 -0.0058 -0.0216 231 VAL C CG2 7177 N N . CYS C 165 ? 0.4739 0.5233 0.4796 0.0042 -0.0097 -0.0210 232 CYS C N 7178 C CA . CYS C 165 ? 0.5168 0.5663 0.5239 0.0055 -0.0112 -0.0209 232 CYS C CA 7179 C C . CYS C 165 ? 0.4945 0.5461 0.5047 0.0066 -0.0107 -0.0220 232 CYS C C 7180 O O . CYS C 165 ? 0.4586 0.5098 0.4686 0.0068 -0.0095 -0.0226 232 CYS C O 7181 C CB . CYS C 165 ? 0.5617 0.6081 0.5667 0.0061 -0.0119 -0.0203 232 CYS C CB 7182 S SG . CYS C 165 ? 0.6124 0.6563 0.6137 0.0048 -0.0120 -0.0191 232 CYS C SG 7183 N N . ILE C 166 ? 0.5115 0.5652 0.5245 0.0074 -0.0119 -0.0223 233 ILE C N 7184 C CA . ILE C 166 ? 0.5175 0.5734 0.5339 0.0089 -0.0117 -0.0234 233 ILE C CA 7185 C C . ILE C 166 ? 0.5521 0.6075 0.5698 0.0106 -0.0137 -0.0232 233 ILE C C 7186 O O . ILE C 166 ? 0.5529 0.6090 0.5712 0.0104 -0.0153 -0.0226 233 ILE C O 7187 C CB . ILE C 166 ? 0.5455 0.6056 0.5651 0.0083 -0.0108 -0.0243 233 ILE C CB 7188 C CG1 . ILE C 166 ? 0.5622 0.6224 0.5802 0.0066 -0.0087 -0.0247 233 ILE C CG1 7189 C CG2 . ILE C 166 ? 0.5072 0.5700 0.5308 0.0100 -0.0107 -0.0255 233 ILE C CG2 7190 C CD1 . ILE C 166 ? 0.6119 0.6758 0.6322 0.0054 -0.0076 -0.0255 233 ILE C CD1 7191 N N . ASN C 167 ? 0.5461 0.6002 0.5641 0.0122 -0.0137 -0.0236 234 ASN C N 7192 C CA . ASN C 167 ? 0.5823 0.6354 0.6013 0.0140 -0.0158 -0.0234 234 ASN C CA 7193 C C . ASN C 167 ? 0.5654 0.6156 0.5815 0.0135 -0.0177 -0.0221 234 ASN C C 7194 O O . ASN C 167 ? 0.5238 0.5744 0.5411 0.0143 -0.0197 -0.0218 234 ASN C O 7195 C CB . ASN C 167 ? 0.5832 0.6404 0.6070 0.0153 -0.0166 -0.0243 234 ASN C CB 7196 C CG . ASN C 167 ? 0.6690 0.7250 0.6939 0.0177 -0.0186 -0.0243 234 ASN C CG 7197 O OD1 . ASN C 167 ? 0.6517 0.7044 0.6748 0.0188 -0.0186 -0.0243 234 ASN C OD1 7198 N ND2 . ASN C 167 ? 0.8685 0.9268 0.8963 0.0184 -0.0205 -0.0242 234 ASN C ND2 7199 N N . GLY C 168 ? 0.5686 0.6160 0.5809 0.0121 -0.0172 -0.0213 235 GLY C N 7200 C CA . GLY C 168 ? 0.5367 0.5811 0.5460 0.0116 -0.0189 -0.0200 235 GLY C CA 7201 C C . GLY C 168 ? 0.5453 0.5906 0.5540 0.0101 -0.0193 -0.0194 235 GLY C C 7202 O O . GLY C 168 ? 0.5655 0.6082 0.5712 0.0093 -0.0202 -0.0184 235 GLY C O 7203 N N . THR C 169 ? 0.5142 0.5631 0.5254 0.0095 -0.0184 -0.0200 236 THR C N 7204 C CA . THR C 169 ? 0.5118 0.5614 0.5221 0.0079 -0.0186 -0.0195 236 THR C CA 7205 C C . THR C 169 ? 0.5043 0.5542 0.5131 0.0064 -0.0165 -0.0196 236 THR C C 7206 O O . THR C 169 ? 0.5187 0.5709 0.5294 0.0063 -0.0150 -0.0205 236 THR C O 7207 C CB . THR C 169 ? 0.4885 0.5418 0.5023 0.0080 -0.0194 -0.0199 236 THR C CB 7208 O OG1 . THR C 169 ? 0.4940 0.5469 0.5090 0.0094 -0.0217 -0.0197 236 THR C OG1 7209 C CG2 . THR C 169 ? 0.4535 0.5071 0.4659 0.0062 -0.0196 -0.0194 236 THR C CG2 7210 N N . CYS C 170 ? 0.4643 0.5119 0.4698 0.0052 -0.0164 -0.0188 237 CYS C N 7211 C CA . CYS C 170 ? 0.5164 0.5639 0.5203 0.0040 -0.0147 -0.0188 237 CYS C CA 7212 C C . CYS C 170 ? 0.4813 0.5297 0.4847 0.0027 -0.0147 -0.0185 237 CYS C C 7213 O O . CYS C 170 ? 0.4843 0.5319 0.4869 0.0023 -0.0161 -0.0180 237 CYS C O 7214 C CB . CYS C 170 ? 0.5160 0.5604 0.5167 0.0036 -0.0143 -0.0181 237 CYS C CB 7215 S SG . CYS C 170 ? 0.6051 0.6477 0.6055 0.0049 -0.0145 -0.0181 237 CYS C SG 7216 N N . THR C 171 ? 0.4490 0.4985 0.4524 0.0018 -0.0132 -0.0190 238 THR C N 7217 C CA . THR C 171 ? 0.4531 0.5031 0.4557 0.0004 -0.0131 -0.0189 238 THR C CA 7218 C C . THR C 171 ? 0.4873 0.5354 0.4868 -0.0003 -0.0118 -0.0186 238 THR C C 7219 O O . THR C 171 ? 0.4559 0.5036 0.4551 -0.0001 -0.0107 -0.0188 238 THR C O 7220 C CB . THR C 171 ? 0.5049 0.5583 0.5104 0.0000 -0.0127 -0.0197 238 THR C CB 7221 O OG1 . THR C 171 ? 0.5994 0.6530 0.6038 -0.0013 -0.0130 -0.0195 238 THR C OG1 7222 C CG2 . THR C 171 ? 0.4810 0.5352 0.4869 -0.0001 -0.0108 -0.0205 238 THR C CG2 7223 N N . VAL C 172 ? 0.4922 0.5390 0.4896 -0.0013 -0.0121 -0.0180 239 VAL C N 7224 C CA . VAL C 172 ? 0.5248 0.5697 0.5193 -0.0020 -0.0111 -0.0177 239 VAL C CA 7225 C C . VAL C 172 ? 0.5564 0.6009 0.5492 -0.0033 -0.0112 -0.0176 239 VAL C C 7226 O O . VAL C 172 ? 0.4654 0.5099 0.4582 -0.0036 -0.0125 -0.0173 239 VAL C O 7227 C CB . VAL C 172 ? 0.6472 0.6897 0.6395 -0.0016 -0.0112 -0.0171 239 VAL C CB 7228 C CG1 . VAL C 172 ? 0.6466 0.6877 0.6375 -0.0019 -0.0125 -0.0164 239 VAL C CG1 7229 C CG2 . VAL C 172 ? 0.7380 0.7789 0.7279 -0.0019 -0.0100 -0.0169 239 VAL C CG2 7230 N N . VAL C 173 ? 0.5241 0.5677 0.5151 -0.0040 -0.0100 -0.0178 240 VAL C N 7231 C CA . VAL C 173 ? 0.5021 0.5449 0.4912 -0.0053 -0.0100 -0.0177 240 VAL C CA 7232 C C . VAL C 173 ? 0.4928 0.5325 0.4784 -0.0053 -0.0096 -0.0171 240 VAL C C 7233 O O . VAL C 173 ? 0.5098 0.5485 0.4946 -0.0047 -0.0088 -0.0171 240 VAL C O 7234 C CB . VAL C 173 ? 0.4550 0.4985 0.4440 -0.0061 -0.0088 -0.0183 240 VAL C CB 7235 C CG1 . VAL C 173 ? 0.5117 0.5542 0.4985 -0.0076 -0.0089 -0.0182 240 VAL C CG1 7236 C CG2 . VAL C 173 ? 0.4998 0.5466 0.4924 -0.0060 -0.0087 -0.0190 240 VAL C CG2 7237 N N . MET C 174 ? 0.5261 0.5645 0.5098 -0.0061 -0.0103 -0.0168 241 MET C N 7238 C CA . MET C 174 ? 0.5323 0.5677 0.5126 -0.0062 -0.0100 -0.0163 241 MET C CA 7239 C C . MET C 174 ? 0.4973 0.5310 0.4748 -0.0075 -0.0100 -0.0163 241 MET C C 7240 O O . MET C 174 ? 0.6071 0.6419 0.5853 -0.0086 -0.0108 -0.0164 241 MET C O 7241 C CB . MET C 174 ? 0.5517 0.5862 0.5315 -0.0059 -0.0109 -0.0158 241 MET C CB 7242 C CG . MET C 174 ? 0.5892 0.6247 0.5711 -0.0047 -0.0111 -0.0157 241 MET C CG 7243 S SD . MET C 174 ? 0.6424 0.6758 0.6225 -0.0045 -0.0119 -0.0150 241 MET C SD 7244 C CE . MET C 174 ? 0.6705 0.7020 0.6479 -0.0043 -0.0102 -0.0149 241 MET C CE 7245 N N . THR C 175 ? 0.5466 0.5777 0.5211 -0.0075 -0.0090 -0.0162 242 THR C N 7246 C CA . THR C 175 ? 0.5304 0.5592 0.5016 -0.0087 -0.0089 -0.0162 242 THR C CA 7247 C C . THR C 175 ? 0.5408 0.5665 0.5088 -0.0084 -0.0086 -0.0158 242 THR C C 7248 O O . THR C 175 ? 0.5449 0.5701 0.5127 -0.0072 -0.0078 -0.0157 242 THR C O 7249 C CB . THR C 175 ? 0.6077 0.6359 0.5778 -0.0089 -0.0078 -0.0166 242 THR C CB 7250 O OG1 . THR C 175 ? 0.5806 0.6116 0.5536 -0.0094 -0.0080 -0.0170 242 THR C OG1 7251 C CG2 . THR C 175 ? 0.6516 0.6768 0.6178 -0.0103 -0.0077 -0.0166 242 THR C CG2 7252 N N . ASP C 176 ? 0.5535 0.5775 0.5191 -0.0095 -0.0092 -0.0155 243 ASP C N 7253 C CA . ASP C 176 ? 0.4985 0.5192 0.4604 -0.0095 -0.0088 -0.0153 243 ASP C CA 7254 C C . ASP C 176 ? 0.5429 0.5609 0.5014 -0.0104 -0.0082 -0.0155 243 ASP C C 7255 O O . ASP C 176 ? 0.5511 0.5688 0.5087 -0.0119 -0.0090 -0.0155 243 ASP C O 7256 C CB . ASP C 176 ? 0.5493 0.5694 0.5106 -0.0103 -0.0101 -0.0148 243 ASP C CB 7257 C CG . ASP C 176 ? 0.6285 0.6455 0.5864 -0.0101 -0.0094 -0.0146 243 ASP C CG 7258 O OD1 . ASP C 176 ? 0.6712 0.6856 0.6261 -0.0099 -0.0081 -0.0148 243 ASP C OD1 7259 O OD2 . ASP C 176 ? 0.6581 0.6749 0.6160 -0.0102 -0.0101 -0.0142 243 ASP C OD2 7260 N N . GLY C 177 ? 0.6472 0.6636 0.6042 -0.0094 -0.0069 -0.0157 244 GLY C N 7261 C CA . GLY C 177 ? 0.6468 0.6607 0.6008 -0.0099 -0.0063 -0.0160 244 GLY C CA 7262 C C . GLY C 177 ? 0.6307 0.6415 0.5817 -0.0087 -0.0051 -0.0161 244 GLY C C 7263 O O . GLY C 177 ? 0.7167 0.7277 0.6684 -0.0074 -0.0044 -0.0160 244 GLY C O 7264 N N . SER C 178 ? 0.6530 0.6607 0.6005 -0.0092 -0.0047 -0.0163 245 SER C N 7265 C CA . SER C 178 ? 0.7830 0.7871 0.7271 -0.0081 -0.0036 -0.0165 245 SER C CA 7266 C C . SER C 178 ? 0.7738 0.7756 0.7156 -0.0083 -0.0033 -0.0167 245 SER C C 7267 O O . SER C 178 ? 0.7695 0.7721 0.7116 -0.0098 -0.0039 -0.0168 245 SER C O 7268 C CB . SER C 178 ? 0.8097 0.8104 0.7498 -0.0089 -0.0035 -0.0164 245 SER C CB 7269 O OG . SER C 178 ? 0.9943 0.9928 0.9314 -0.0109 -0.0042 -0.0164 245 SER C OG 7270 N N . ALA C 179 ? 0.8395 0.8387 0.7791 -0.0067 -0.0024 -0.0169 246 ALA C N 7271 C CA . ALA C 179 ? 0.7846 0.7809 0.7215 -0.0063 -0.0021 -0.0171 246 ALA C CA 7272 C C . ALA C 179 ? 0.8435 0.8361 0.7759 -0.0085 -0.0025 -0.0172 246 ALA C C 7273 O O . ALA C 179 ? 0.9842 0.9753 0.9150 -0.0090 -0.0026 -0.0173 246 ALA C O 7274 C CB . ALA C 179 ? 0.7413 0.7351 0.6764 -0.0041 -0.0011 -0.0173 246 ALA C CB 7275 N N . SER C 180 ? 0.8198 0.8111 0.7501 -0.0099 -0.0028 -0.0171 247 SER C N 7276 C CA . SER C 180 ? 0.8608 0.8490 0.7870 -0.0122 -0.0033 -0.0171 247 SER C CA 7277 C C . SER C 180 ? 0.8691 0.8601 0.7972 -0.0145 -0.0043 -0.0170 247 SER C C 7278 O O . SER C 180 ? 0.9754 0.9652 0.9013 -0.0168 -0.0049 -0.0169 247 SER C O 7279 C CB . SER C 180 ? 0.8693 0.8552 0.7926 -0.0132 -0.0034 -0.0169 247 SER C CB 7280 O OG . SER C 180 ? 0.9171 0.9070 0.8442 -0.0139 -0.0043 -0.0166 247 SER C OG 7281 N N . GLY C 181 ? 0.7821 0.7769 0.7145 -0.0140 -0.0043 -0.0171 248 GLY C N 7282 C CA . GLY C 181 ? 0.8606 0.8590 0.7959 -0.0158 -0.0050 -0.0171 248 GLY C CA 7283 C C . GLY C 181 ? 0.8173 0.8197 0.7561 -0.0167 -0.0060 -0.0169 248 GLY C C 7284 O O . GLY C 181 ? 0.8058 0.8114 0.7473 -0.0182 -0.0066 -0.0170 248 GLY C O 7285 N N . ARG C 182 ? 0.7698 0.7720 0.7089 -0.0158 -0.0061 -0.0167 249 ARG C N 7286 C CA . ARG C 182 ? 0.8553 0.8605 0.7972 -0.0165 -0.0071 -0.0164 249 ARG C CA 7287 C C . ARG C 182 ? 0.7978 0.8078 0.7453 -0.0151 -0.0073 -0.0164 249 ARG C C 7288 O O . ARG C 182 ? 0.6584 0.6686 0.6070 -0.0132 -0.0065 -0.0164 249 ARG C O 7289 C CB . ARG C 182 ? 0.9409 0.9431 0.8798 -0.0161 -0.0071 -0.0161 249 ARG C CB 7290 C CG . ARG C 182 ? 0.9771 0.9816 0.9184 -0.0163 -0.0081 -0.0157 249 ARG C CG 7291 C CD . ARG C 182 ? 1.0328 1.0382 0.9741 -0.0186 -0.0095 -0.0155 249 ARG C CD 7292 N NE . ARG C 182 ? 1.1587 1.1667 1.1028 -0.0185 -0.0107 -0.0152 249 ARG C NE 7293 C CZ . ARG C 182 ? 1.3493 1.3612 1.2973 -0.0193 -0.0121 -0.0150 249 ARG C CZ 7294 N NH1 . ARG C 182 ? 1.2793 1.2935 1.2290 -0.0205 -0.0124 -0.0153 249 ARG C NH1 7295 N NH2 . ARG C 182 ? 1.4214 1.4348 1.3713 -0.0190 -0.0133 -0.0147 249 ARG C NH2 7296 N N . ALA C 183 ? 0.7235 0.7372 0.6745 -0.0161 -0.0083 -0.0164 250 ALA C N 7297 C CA . ALA C 183 ? 0.6950 0.7129 0.6511 -0.0149 -0.0084 -0.0164 250 ALA C CA 7298 C C . ALA C 183 ? 0.6935 0.7147 0.6527 -0.0157 -0.0099 -0.0163 250 ALA C C 7299 O O . ALA C 183 ? 0.6463 0.6692 0.6065 -0.0172 -0.0104 -0.0165 250 ALA C O 7300 C CB . ALA C 183 ? 0.6050 0.6244 0.5626 -0.0149 -0.0078 -0.0169 250 ALA C CB 7301 N N . ASP C 184 ? 0.6135 0.6354 0.5741 -0.0148 -0.0105 -0.0159 251 ASP C N 7302 C CA . ASP C 184 ? 0.5866 0.6114 0.5503 -0.0152 -0.0120 -0.0157 251 ASP C CA 7303 C C . ASP C 184 ? 0.5703 0.5985 0.5385 -0.0136 -0.0119 -0.0159 251 ASP C C 7304 O O . ASP C 184 ? 0.4899 0.5176 0.4584 -0.0122 -0.0117 -0.0157 251 ASP C O 7305 C CB . ASP C 184 ? 0.6805 0.7032 0.6420 -0.0156 -0.0131 -0.0151 251 ASP C CB 7306 C CG . ASP C 184 ? 0.7351 0.7606 0.6997 -0.0160 -0.0150 -0.0149 251 ASP C CG 7307 O OD1 . ASP C 184 ? 0.8387 0.8680 0.8077 -0.0152 -0.0153 -0.0151 251 ASP C OD1 7308 O OD2 . ASP C 184 ? 0.8143 0.8381 0.7767 -0.0170 -0.0161 -0.0144 251 ASP C OD2 7309 N N . THR C 185 ? 0.5319 0.5636 0.5035 -0.0139 -0.0120 -0.0164 252 THR C N 7310 C CA . THR C 185 ? 0.5056 0.5402 0.4811 -0.0125 -0.0117 -0.0167 252 THR C CA 7311 C C . THR C 185 ? 0.5173 0.5550 0.4965 -0.0122 -0.0132 -0.0166 252 THR C C 7312 O O . THR C 185 ? 0.5491 0.5885 0.5294 -0.0134 -0.0142 -0.0167 252 THR C O 7313 C CB . THR C 185 ? 0.5146 0.5507 0.4912 -0.0130 -0.0106 -0.0173 252 THR C CB 7314 O OG1 . THR C 185 ? 0.4748 0.5077 0.4479 -0.0129 -0.0094 -0.0173 252 THR C OG1 7315 C CG2 . THR C 185 ? 0.4890 0.5282 0.4696 -0.0116 -0.0103 -0.0177 252 THR C CG2 7316 N N . ARG C 186 ? 0.5223 0.5607 0.5034 -0.0106 -0.0134 -0.0165 253 ARG C N 7317 C CA . ARG C 186 ? 0.5338 0.5747 0.5184 -0.0099 -0.0148 -0.0164 253 ARG C CA 7318 C C . ARG C 186 ? 0.5058 0.5486 0.4934 -0.0083 -0.0143 -0.0168 253 ARG C C 7319 O O . ARG C 186 ? 0.4993 0.5408 0.4859 -0.0076 -0.0131 -0.0168 253 ARG C O 7320 C CB . ARG C 186 ? 0.5545 0.5932 0.5372 -0.0098 -0.0161 -0.0156 253 ARG C CB 7321 C CG . ARG C 186 ? 0.6758 0.7125 0.6552 -0.0115 -0.0168 -0.0153 253 ARG C CG 7322 C CD . ARG C 186 ? 0.7645 0.7992 0.7421 -0.0119 -0.0184 -0.0146 253 ARG C CD 7323 N NE . ARG C 186 ? 0.8948 0.9269 0.8686 -0.0136 -0.0186 -0.0144 253 ARG C NE 7324 C CZ . ARG C 186 ? 0.9735 1.0029 0.9443 -0.0144 -0.0198 -0.0137 253 ARG C CZ 7325 N NH1 . ARG C 186 ? 0.8190 0.8478 0.7901 -0.0136 -0.0210 -0.0133 253 ARG C NH1 7326 N NH2 . ARG C 186 ? 1.0049 1.0317 0.9718 -0.0160 -0.0197 -0.0136 253 ARG C NH2 7327 N N . ILE C 187 ? 0.4887 0.5347 0.4802 -0.0079 -0.0152 -0.0171 254 ILE C N 7328 C CA . ILE C 187 ? 0.4608 0.5087 0.4553 -0.0064 -0.0148 -0.0175 254 ILE C CA 7329 C C . ILE C 187 ? 0.4864 0.5341 0.4820 -0.0052 -0.0164 -0.0170 254 ILE C C 7330 O O . ILE C 187 ? 0.4746 0.5236 0.4718 -0.0053 -0.0181 -0.0169 254 ILE C O 7331 C CB . ILE C 187 ? 0.4595 0.5113 0.4577 -0.0065 -0.0144 -0.0184 254 ILE C CB 7332 C CG1 . ILE C 187 ? 0.5099 0.5615 0.5067 -0.0078 -0.0127 -0.0188 254 ILE C CG1 7333 C CG2 . ILE C 187 ? 0.4528 0.5062 0.4540 -0.0049 -0.0140 -0.0189 254 ILE C CG2 7334 C CD1 . ILE C 187 ? 0.5814 0.6323 0.5760 -0.0097 -0.0130 -0.0187 254 ILE C CD1 7335 N N . LEU C 188 ? 0.4865 0.5323 0.4811 -0.0041 -0.0160 -0.0168 255 LEU C N 7336 C CA . LEU C 188 ? 0.4449 0.4898 0.4398 -0.0031 -0.0174 -0.0163 255 LEU C CA 7337 C C . LEU C 188 ? 0.4426 0.4896 0.4409 -0.0016 -0.0175 -0.0169 255 LEU C C 7338 O O . LEU C 188 ? 0.4956 0.5436 0.4950 -0.0012 -0.0160 -0.0174 255 LEU C O 7339 C CB . LEU C 188 ? 0.4608 0.5025 0.4524 -0.0030 -0.0168 -0.0158 255 LEU C CB 7340 C CG . LEU C 188 ? 0.5235 0.5626 0.5115 -0.0042 -0.0171 -0.0152 255 LEU C CG 7341 C CD1 . LEU C 188 ? 0.5300 0.5689 0.5165 -0.0053 -0.0158 -0.0154 255 LEU C CD1 7342 C CD2 . LEU C 188 ? 0.6357 0.6719 0.6209 -0.0040 -0.0166 -0.0147 255 LEU C CD2 7343 N N . PHE C 189 ? 0.4418 0.4889 0.4414 -0.0007 -0.0192 -0.0166 256 PHE C N 7344 C CA . PHE C 189 ? 0.4419 0.4903 0.4444 0.0008 -0.0197 -0.0171 256 PHE C CA 7345 C C . PHE C 189 ? 0.4805 0.5258 0.4810 0.0016 -0.0208 -0.0164 256 PHE C C 7346 O O . PHE C 189 ? 0.5184 0.5619 0.5170 0.0011 -0.0223 -0.0157 256 PHE C O 7347 C CB . PHE C 189 ? 0.4822 0.5338 0.4884 0.0013 -0.0211 -0.0175 256 PHE C CB 7348 C CG . PHE C 189 ? 0.4831 0.5381 0.4915 0.0003 -0.0200 -0.0182 256 PHE C CG 7349 C CD1 . PHE C 189 ? 0.4523 0.5074 0.4594 -0.0012 -0.0203 -0.0179 256 PHE C CD1 7350 C CD2 . PHE C 189 ? 0.4636 0.5212 0.4749 0.0010 -0.0185 -0.0192 256 PHE C CD2 7351 C CE1 . PHE C 189 ? 0.5149 0.5728 0.5234 -0.0024 -0.0193 -0.0186 256 PHE C CE1 7352 C CE2 . PHE C 189 ? 0.5309 0.5915 0.5438 -0.0001 -0.0174 -0.0199 256 PHE C CE2 7353 C CZ . PHE C 189 ? 0.5133 0.5740 0.5248 -0.0018 -0.0178 -0.0196 256 PHE C CZ 7354 N N . ILE C 190 ? 0.5280 0.5724 0.5283 0.0025 -0.0199 -0.0166 257 ILE C N 7355 C CA . ILE C 190 ? 0.5241 0.5652 0.5217 0.0027 -0.0204 -0.0159 257 ILE C CA 7356 C C . ILE C 190 ? 0.5543 0.5951 0.5534 0.0043 -0.0209 -0.0162 257 ILE C C 7357 O O . ILE C 190 ? 0.5819 0.6243 0.5829 0.0050 -0.0196 -0.0170 257 ILE C O 7358 C CB . ILE C 190 ? 0.5492 0.5887 0.5441 0.0018 -0.0187 -0.0157 257 ILE C CB 7359 C CG1 . ILE C 190 ? 0.5814 0.6207 0.5745 0.0004 -0.0183 -0.0154 257 ILE C CG1 7360 C CG2 . ILE C 190 ? 0.5592 0.5955 0.5512 0.0018 -0.0190 -0.0150 257 ILE C CG2 7361 C CD1 . ILE C 190 ? 0.6289 0.6680 0.6207 -0.0001 -0.0163 -0.0155 257 ILE C CD1 7362 N N . LYS C 191 ? 0.5697 0.6081 0.5675 0.0049 -0.0226 -0.0157 258 LYS C N 7363 C CA . LYS C 191 ? 0.5882 0.6258 0.5870 0.0065 -0.0234 -0.0159 258 LYS C CA 7364 C C . LYS C 191 ? 0.5696 0.6030 0.5645 0.0061 -0.0238 -0.0152 258 LYS C C 7365 O O . LYS C 191 ? 0.5096 0.5407 0.5019 0.0055 -0.0252 -0.0144 258 LYS C O 7366 C CB . LYS C 191 ? 0.6764 0.7150 0.6775 0.0076 -0.0256 -0.0160 258 LYS C CB 7367 C CG . LYS C 191 ? 0.9024 0.9425 0.9068 0.0097 -0.0258 -0.0168 258 LYS C CG 7368 C CD . LYS C 191 ? 0.9405 0.9822 0.9478 0.0110 -0.0280 -0.0170 258 LYS C CD 7369 C CE . LYS C 191 ? 0.9793 1.0254 0.9897 0.0103 -0.0277 -0.0174 258 LYS C CE 7370 N NZ . LYS C 191 ? 1.0436 1.0926 1.0582 0.0118 -0.0296 -0.0178 258 LYS C NZ 7371 N N . GLU C 192 ? 0.5100 0.5427 0.5042 0.0063 -0.0224 -0.0154 259 GLU C N 7372 C CA . GLU C 192 ? 0.5957 0.6248 0.5862 0.0057 -0.0225 -0.0148 259 GLU C CA 7373 C C . GLU C 192 ? 0.5702 0.5979 0.5577 0.0039 -0.0221 -0.0140 259 GLU C C 7374 O O . GLU C 192 ? 0.5791 0.6038 0.5636 0.0033 -0.0231 -0.0134 259 GLU C O 7375 C CB . GLU C 192 ? 0.6780 0.7042 0.6674 0.0067 -0.0246 -0.0144 259 GLU C CB 7376 C CG . GLU C 192 ? 0.7726 0.7991 0.7641 0.0085 -0.0247 -0.0151 259 GLU C CG 7377 C CD . GLU C 192 ? 0.9111 0.9340 0.9009 0.0095 -0.0269 -0.0148 259 GLU C CD 7378 O OE1 . GLU C 192 ? 0.9262 0.9493 0.9171 0.0104 -0.0289 -0.0146 259 GLU C OE1 7379 O OE2 . GLU C 192 ? 0.9128 0.9326 0.8999 0.0094 -0.0268 -0.0146 259 GLU C OE2 7380 N N . GLY C 193 ? 0.5744 0.6044 0.5627 0.0032 -0.0207 -0.0143 260 GLY C N 7381 C CA . GLY C 193 ? 0.5567 0.5857 0.5425 0.0017 -0.0201 -0.0137 260 GLY C CA 7382 C C . GLY C 193 ? 0.6221 0.6504 0.6068 0.0011 -0.0214 -0.0133 260 GLY C C 7383 O O . GLY C 193 ? 0.6073 0.6350 0.5899 0.0000 -0.0207 -0.0130 260 GLY C O 7384 N N . LYS C 194 ? 0.5870 0.6154 0.5731 0.0019 -0.0234 -0.0133 261 LYS C N 7385 C CA . LYS C 194 ? 0.6770 0.7050 0.6623 0.0013 -0.0249 -0.0129 261 LYS C CA 7386 C C . LYS C 194 ? 0.5939 0.6254 0.5822 0.0013 -0.0245 -0.0134 261 LYS C C 7387 O O . LYS C 194 ? 0.6249 0.6593 0.6169 0.0024 -0.0245 -0.0141 261 LYS C O 7388 C CB . LYS C 194 ? 0.7506 0.7772 0.7362 0.0022 -0.0275 -0.0126 261 LYS C CB 7389 C CG . LYS C 194 ? 0.9005 0.9233 0.8831 0.0024 -0.0284 -0.0121 261 LYS C CG 7390 C CD . LYS C 194 ? 1.0316 1.0508 1.0095 0.0007 -0.0283 -0.0113 261 LYS C CD 7391 C CE . LYS C 194 ? 1.0625 1.0782 1.0376 0.0007 -0.0288 -0.0109 261 LYS C CE 7392 N NZ . LYS C 194 ? 1.0425 1.0548 1.0128 -0.0011 -0.0285 -0.0102 261 LYS C NZ 7393 N N . ILE C 195 ? 0.5401 0.5712 0.5267 0.0000 -0.0244 -0.0131 262 ILE C N 7394 C CA . ILE C 195 ? 0.5624 0.5965 0.5512 -0.0003 -0.0243 -0.0135 262 ILE C CA 7395 C C . ILE C 195 ? 0.5949 0.6301 0.5859 0.0002 -0.0266 -0.0134 262 ILE C C 7396 O O . ILE C 195 ? 0.5126 0.5454 0.5013 -0.0002 -0.0284 -0.0128 262 ILE C O 7397 C CB . ILE C 195 ? 0.5815 0.6142 0.5673 -0.0020 -0.0236 -0.0132 262 ILE C CB 7398 C CG1 . ILE C 195 ? 0.6961 0.7280 0.6802 -0.0023 -0.0213 -0.0133 262 ILE C CG1 7399 C CG2 . ILE C 195 ? 0.6027 0.6381 0.5905 -0.0025 -0.0236 -0.0136 262 ILE C CG2 7400 C CD1 . ILE C 195 ? 0.7247 0.7544 0.7052 -0.0037 -0.0206 -0.0129 262 ILE C CD1 7401 N N . VAL C 196 ? 0.5888 0.6275 0.5840 0.0012 -0.0267 -0.0142 263 VAL C N 7402 C CA . VAL C 196 ? 0.6152 0.6555 0.6129 0.0020 -0.0290 -0.0142 263 VAL C CA 7403 C C . VAL C 196 ? 0.6494 0.6927 0.6489 0.0009 -0.0293 -0.0144 263 VAL C C 7404 O O . VAL C 196 ? 0.6347 0.6791 0.6359 0.0011 -0.0314 -0.0142 263 VAL C O 7405 C CB . VAL C 196 ? 0.6282 0.6705 0.6298 0.0041 -0.0295 -0.0148 263 VAL C CB 7406 C CG1 . VAL C 196 ? 0.6504 0.6891 0.6497 0.0050 -0.0298 -0.0144 263 VAL C CG1 7407 C CG2 . VAL C 196 ? 0.6436 0.6895 0.6485 0.0045 -0.0273 -0.0159 263 VAL C CG2 7408 N N . HIS C 197 ? 0.5819 0.6264 0.5812 -0.0001 -0.0272 -0.0148 264 HIS C N 7409 C CA . HIS C 197 ? 0.5267 0.5737 0.5272 -0.0014 -0.0273 -0.0150 264 HIS C CA 7410 C C . HIS C 197 ? 0.5515 0.5979 0.5498 -0.0027 -0.0250 -0.0152 264 HIS C C 7411 O O . HIS C 197 ? 0.5024 0.5484 0.5003 -0.0022 -0.0231 -0.0155 264 HIS C O 7412 C CB . HIS C 197 ? 0.5664 0.6184 0.5724 -0.0004 -0.0275 -0.0159 264 HIS C CB 7413 C CG . HIS C 197 ? 0.6451 0.6999 0.6527 -0.0018 -0.0282 -0.0160 264 HIS C CG 7414 N ND1 . HIS C 197 ? 0.6991 0.7560 0.7072 -0.0031 -0.0263 -0.0166 264 HIS C ND1 7415 C CD2 . HIS C 197 ? 0.6367 0.6925 0.6452 -0.0022 -0.0305 -0.0156 264 HIS C CD2 7416 C CE1 . HIS C 197 ? 0.6307 0.6897 0.6398 -0.0044 -0.0275 -0.0166 264 HIS C CE1 7417 N NE2 . HIS C 197 ? 0.7034 0.7618 0.7129 -0.0039 -0.0301 -0.0160 264 HIS C NE2 7418 N N . ILE C 198 ? 0.5156 0.5620 0.5124 -0.0044 -0.0252 -0.0150 265 ILE C N 7419 C CA . ILE C 198 ? 0.5347 0.5805 0.5295 -0.0058 -0.0232 -0.0152 265 ILE C CA 7420 C C . ILE C 198 ? 0.5456 0.5944 0.5422 -0.0071 -0.0234 -0.0156 265 ILE C C 7421 O O . ILE C 198 ? 0.5876 0.6369 0.5842 -0.0079 -0.0252 -0.0153 265 ILE C O 7422 C CB . ILE C 198 ? 0.5153 0.5569 0.5050 -0.0069 -0.0231 -0.0145 265 ILE C CB 7423 C CG1 . ILE C 198 ? 0.5847 0.6236 0.5727 -0.0058 -0.0230 -0.0141 265 ILE C CG1 7424 C CG2 . ILE C 198 ? 0.5415 0.5822 0.5289 -0.0079 -0.0211 -0.0147 265 ILE C CG2 7425 C CD1 . ILE C 198 ? 0.5737 0.6086 0.5568 -0.0067 -0.0222 -0.0135 265 ILE C CD1 7426 N N . SER C 199 ? 0.5189 0.5698 0.5169 -0.0073 -0.0216 -0.0164 266 SER C N 7427 C CA . SER C 199 ? 0.5369 0.5906 0.5365 -0.0088 -0.0215 -0.0169 266 SER C CA 7428 C C . SER C 199 ? 0.5660 0.6173 0.5616 -0.0104 -0.0200 -0.0168 266 SER C C 7429 O O . SER C 199 ? 0.5362 0.5858 0.5301 -0.0100 -0.0183 -0.0170 266 SER C O 7430 C CB . SER C 199 ? 0.5001 0.5583 0.5044 -0.0081 -0.0206 -0.0179 266 SER C CB 7431 O OG . SER C 199 ? 0.5338 0.5944 0.5420 -0.0064 -0.0220 -0.0180 266 SER C OG 7432 N N . PRO C 200 ? 0.6631 0.7144 0.6573 -0.0123 -0.0206 -0.0167 267 PRO C N 7433 C CA . PRO C 200 ? 0.6394 0.6885 0.6300 -0.0139 -0.0190 -0.0168 267 PRO C CA 7434 C C . PRO C 200 ? 0.6160 0.6679 0.6088 -0.0142 -0.0173 -0.0177 267 PRO C C 7435 O O . PRO C 200 ? 0.6392 0.6953 0.6364 -0.0139 -0.0175 -0.0184 267 PRO C O 7436 C CB . PRO C 200 ? 0.6634 0.7122 0.6523 -0.0160 -0.0204 -0.0164 267 PRO C CB 7437 C CG . PRO C 200 ? 0.7380 0.7914 0.7319 -0.0157 -0.0222 -0.0166 267 PRO C CG 7438 C CD . PRO C 200 ? 0.6951 0.7492 0.6917 -0.0132 -0.0226 -0.0166 267 PRO C CD 7439 N N . LEU C 201 ? 0.6100 0.6592 0.5994 -0.0148 -0.0156 -0.0178 268 LEU C N 7440 C CA . LEU C 201 ? 0.5997 0.6505 0.5899 -0.0156 -0.0142 -0.0186 268 LEU C CA 7441 C C . LEU C 201 ? 0.6238 0.6773 0.6152 -0.0178 -0.0147 -0.0189 268 LEU C C 7442 O O . LEU C 201 ? 0.6388 0.6908 0.6278 -0.0192 -0.0158 -0.0185 268 LEU C O 7443 C CB . LEU C 201 ? 0.6286 0.6754 0.6142 -0.0161 -0.0127 -0.0185 268 LEU C CB 7444 C CG . LEU C 201 ? 0.6159 0.6635 0.6013 -0.0173 -0.0112 -0.0192 268 LEU C CG 7445 C CD1 . LEU C 201 ? 0.5509 0.6010 0.5397 -0.0158 -0.0102 -0.0198 268 LEU C CD1 7446 C CD2 . LEU C 201 ? 0.6147 0.6576 0.5948 -0.0179 -0.0102 -0.0190 268 LEU C CD2 7447 N N . SER C 202 ? 0.6338 0.6911 0.6285 -0.0181 -0.0139 -0.0198 269 SER C N 7448 C CA . SER C 202 ? 0.5459 0.6063 0.5421 -0.0203 -0.0142 -0.0202 269 SER C CA 7449 C C . SER C 202 ? 0.5655 0.6273 0.5621 -0.0213 -0.0121 -0.0212 269 SER C C 7450 O O . SER C 202 ? 0.5688 0.6298 0.5655 -0.0200 -0.0108 -0.0215 269 SER C O 7451 C CB . SER C 202 ? 0.6525 0.7175 0.6540 -0.0193 -0.0158 -0.0204 269 SER C CB 7452 O OG . SER C 202 ? 0.6800 0.7489 0.6839 -0.0213 -0.0163 -0.0208 269 SER C OG 7453 N N . GLY C 203 ? 0.5856 0.6491 0.5820 -0.0238 -0.0119 -0.0216 270 GLY C N 7454 C CA . GLY C 203 ? 0.5679 0.6322 0.5639 -0.0253 -0.0100 -0.0225 270 GLY C CA 7455 C C . GLY C 203 ? 0.5913 0.6502 0.5807 -0.0271 -0.0092 -0.0221 270 GLY C C 7456 O O . GLY C 203 ? 0.6267 0.6825 0.6126 -0.0279 -0.0102 -0.0214 270 GLY C O 7457 N N . SER C 204 ? 0.6230 0.6806 0.6106 -0.0278 -0.0074 -0.0227 271 SER C N 7458 C CA . SER C 204 ? 0.6128 0.6654 0.5941 -0.0298 -0.0068 -0.0224 271 SER C CA 7459 C C . SER C 204 ? 0.5734 0.6205 0.5503 -0.0282 -0.0062 -0.0219 271 SER C C 7460 O O . SER C 204 ? 0.6088 0.6514 0.5805 -0.0294 -0.0057 -0.0217 271 SER C O 7461 C CB . SER C 204 ? 0.6253 0.6797 0.6064 -0.0324 -0.0054 -0.0233 271 SER C CB 7462 O OG . SER C 204 ? 0.7049 0.7611 0.6883 -0.0314 -0.0040 -0.0241 271 SER C OG 7463 N N . ALA C 205 ? 0.5666 0.6139 0.5456 -0.0255 -0.0062 -0.0218 272 ALA C N 7464 C CA . ALA C 205 ? 0.6470 0.6897 0.6225 -0.0239 -0.0057 -0.0213 272 ALA C CA 7465 C C . ALA C 205 ? 0.6475 0.6863 0.6193 -0.0237 -0.0067 -0.0204 272 ALA C C 7466 O O . ALA C 205 ? 0.5561 0.5963 0.5296 -0.0235 -0.0079 -0.0201 272 ALA C O 7467 C CB . ALA C 205 ? 0.6393 0.6836 0.6182 -0.0212 -0.0056 -0.0213 272 ALA C CB 7468 N N . GLN C 206 ? 0.7348 0.7686 0.7017 -0.0236 -0.0062 -0.0201 273 GLN C N 7469 C CA . GLN C 206 ? 0.7999 0.8300 0.7629 -0.0239 -0.0069 -0.0195 273 GLN C CA 7470 C C . GLN C 206 ? 0.8213 0.8484 0.7828 -0.0216 -0.0070 -0.0189 273 GLN C C 7471 O O . GLN C 206 ? 1.0539 1.0793 1.0138 -0.0215 -0.0078 -0.0184 273 GLN C O 7472 C CB . GLN C 206 ? 0.8532 0.8794 0.8109 -0.0262 -0.0065 -0.0195 273 GLN C CB 7473 C CG . GLN C 206 ? 0.9101 0.9391 0.8688 -0.0290 -0.0071 -0.0198 273 GLN C CG 7474 C CD . GLN C 206 ? 0.9150 0.9402 0.8684 -0.0315 -0.0065 -0.0200 273 GLN C CD 7475 O OE1 . GLN C 206 ? 0.9855 1.0130 0.9397 -0.0336 -0.0061 -0.0206 273 GLN C OE1 7476 N NE2 . GLN C 206 ? 0.8902 0.9097 0.8381 -0.0312 -0.0066 -0.0195 273 GLN C NE2 7477 N N . HIS C 207 ? 0.6571 0.6832 0.6185 -0.0199 -0.0061 -0.0190 274 HIS C N 7478 C CA . HIS C 207 ? 0.7076 0.7310 0.6675 -0.0178 -0.0061 -0.0185 274 HIS C CA 7479 C C . HIS C 207 ? 0.8854 0.9118 0.8492 -0.0162 -0.0057 -0.0187 274 HIS C C 7480 O O . HIS C 207 ? 1.1169 1.1443 1.0814 -0.0169 -0.0050 -0.0192 274 HIS C O 7481 C CB . HIS C 207 ? 0.7057 0.7239 0.6603 -0.0177 -0.0055 -0.0183 274 HIS C CB 7482 C CG . HIS C 207 ? 0.7187 0.7337 0.6689 -0.0197 -0.0057 -0.0183 274 HIS C CG 7483 N ND1 . HIS C 207 ? 0.7142 0.7263 0.6615 -0.0197 -0.0062 -0.0179 274 HIS C ND1 7484 C CD2 . HIS C 207 ? 0.7345 0.7488 0.6827 -0.0221 -0.0056 -0.0186 274 HIS C CD2 7485 C CE1 . HIS C 207 ? 0.6582 0.6678 0.6018 -0.0219 -0.0064 -0.0179 274 HIS C CE1 7486 N NE2 . HIS C 207 ? 0.7643 0.7753 0.7084 -0.0235 -0.0061 -0.0183 274 HIS C NE2 7487 N N . ILE C 208 ? 0.6546 0.6825 0.6210 -0.0146 -0.0061 -0.0184 275 ILE C N 7488 C CA . ILE C 208 ? 0.5921 0.6227 0.5622 -0.0131 -0.0058 -0.0186 275 ILE C CA 7489 C C . ILE C 208 ? 0.5863 0.6155 0.5561 -0.0112 -0.0058 -0.0181 275 ILE C C 7490 O O . ILE C 208 ? 0.5754 0.6039 0.5447 -0.0108 -0.0063 -0.0177 275 ILE C O 7491 C CB . ILE C 208 ? 0.6464 0.6811 0.6208 -0.0132 -0.0066 -0.0187 275 ILE C CB 7492 C CG1 . ILE C 208 ? 0.6438 0.6808 0.6195 -0.0151 -0.0066 -0.0193 275 ILE C CG1 7493 C CG2 . ILE C 208 ? 0.6821 0.7189 0.6599 -0.0114 -0.0064 -0.0188 275 ILE C CG2 7494 C CD1 . ILE C 208 ? 0.7351 0.7749 0.7135 -0.0151 -0.0058 -0.0200 275 ILE C CD1 7495 N N . GLU C 209 ? 0.5999 0.6291 0.5702 -0.0101 -0.0051 -0.0182 276 GLU C N 7496 C CA . GLU C 209 ? 0.6315 0.6600 0.6021 -0.0083 -0.0049 -0.0179 276 GLU C CA 7497 C C . GLU C 209 ? 0.6028 0.6336 0.5762 -0.0075 -0.0046 -0.0181 276 GLU C C 7498 O O . GLU C 209 ? 0.5637 0.5950 0.5374 -0.0082 -0.0042 -0.0186 276 GLU C O 7499 C CB . GLU C 209 ? 0.7692 0.7941 0.7360 -0.0078 -0.0044 -0.0177 276 GLU C CB 7500 C CG . GLU C 209 ? 0.9602 0.9827 0.9247 -0.0072 -0.0044 -0.0173 276 GLU C CG 7501 C CD . GLU C 209 ? 1.2301 1.2502 1.1926 -0.0057 -0.0038 -0.0172 276 GLU C CD 7502 O OE1 . GLU C 209 ? 1.0697 1.0886 1.0310 -0.0056 -0.0035 -0.0174 276 GLU C OE1 7503 O OE2 . GLU C 209 ? 1.3434 1.3630 1.3057 -0.0046 -0.0037 -0.0169 276 GLU C OE2 7504 N N . GLU C 210 ? 0.4883 0.5199 0.4634 -0.0061 -0.0048 -0.0178 277 GLU C N 7505 C CA . GLU C 210 ? 0.4840 0.5167 0.4607 -0.0052 -0.0044 -0.0179 277 GLU C CA 7506 C C . GLU C 210 ? 0.5012 0.5360 0.4801 -0.0058 -0.0042 -0.0185 277 GLU C C 7507 O O . GLU C 210 ? 0.5454 0.5798 0.5238 -0.0059 -0.0037 -0.0187 277 GLU C O 7508 C CB . GLU C 210 ? 0.4734 0.5036 0.4476 -0.0047 -0.0039 -0.0178 277 GLU C CB 7509 C CG . GLU C 210 ? 0.4882 0.5169 0.4610 -0.0036 -0.0040 -0.0173 277 GLU C CG 7510 C CD . GLU C 210 ? 0.5943 0.6204 0.5645 -0.0030 -0.0036 -0.0172 277 GLU C CD 7511 O OE1 . GLU C 210 ? 0.5680 0.5929 0.5367 -0.0036 -0.0034 -0.0174 277 GLU C OE1 7512 O OE2 . GLU C 210 ? 0.6702 0.6954 0.6397 -0.0019 -0.0034 -0.0169 277 GLU C OE2 7513 N N . CYS C 211 ? 0.4632 0.5003 0.4446 -0.0062 -0.0047 -0.0187 278 CYS C N 7514 C CA . CYS C 211 ? 0.5381 0.5776 0.5218 -0.0066 -0.0044 -0.0193 278 CYS C CA 7515 C C . CYS C 211 ? 0.5276 0.5677 0.5128 -0.0056 -0.0040 -0.0194 278 CYS C C 7516 O O . CYS C 211 ? 0.4829 0.5231 0.4689 -0.0045 -0.0045 -0.0190 278 CYS C O 7517 C CB . CYS C 211 ? 0.5473 0.5891 0.5336 -0.0068 -0.0052 -0.0194 278 CYS C CB 7518 S SG . CYS C 211 ? 0.6051 0.6464 0.5897 -0.0085 -0.0056 -0.0194 278 CYS C SG 7519 N N . SER C 212 ? 0.4631 0.5036 0.4484 -0.0062 -0.0032 -0.0200 279 SER C N 7520 C CA . SER C 212 ? 0.4820 0.5236 0.4691 -0.0055 -0.0029 -0.0203 279 SER C CA 7521 C C . SER C 212 ? 0.4244 0.4688 0.4145 -0.0058 -0.0027 -0.0211 279 SER C C 7522 O O . SER C 212 ? 0.4629 0.5082 0.4530 -0.0070 -0.0020 -0.0217 279 SER C O 7523 C CB . SER C 212 ? 0.4630 0.5029 0.4480 -0.0060 -0.0021 -0.0205 279 SER C CB 7524 O OG . SER C 212 ? 0.5354 0.5728 0.5177 -0.0058 -0.0023 -0.0199 279 SER C OG 7525 N N . CYS C 213 ? 0.4184 0.4642 0.4108 -0.0047 -0.0033 -0.0210 280 CYS C N 7526 C CA . CYS C 213 ? 0.4509 0.4995 0.4466 -0.0044 -0.0034 -0.0217 280 CYS C CA 7527 C C . CYS C 213 ? 0.4629 0.5122 0.4602 -0.0036 -0.0029 -0.0222 280 CYS C C 7528 O O . CYS C 213 ? 0.4538 0.5015 0.4500 -0.0029 -0.0028 -0.0219 280 CYS C O 7529 C CB . CYS C 213 ? 0.5200 0.5692 0.5170 -0.0037 -0.0048 -0.0212 280 CYS C CB 7530 S SG . CYS C 213 ? 0.5239 0.5721 0.5189 -0.0046 -0.0055 -0.0205 280 CYS C SG 7531 N N . TYR C 214 ? 0.4936 0.5455 0.4937 -0.0036 -0.0025 -0.0231 281 TYR C N 7532 C CA . TYR C 214 ? 0.4790 0.5317 0.4806 -0.0028 -0.0018 -0.0238 281 TYR C CA 7533 C C . TYR C 214 ? 0.4908 0.5466 0.4962 -0.0021 -0.0021 -0.0245 281 TYR C C 7534 O O . TYR C 214 ? 0.4685 0.5265 0.4755 -0.0028 -0.0023 -0.0248 281 TYR C O 7535 C CB . TYR C 214 ? 0.4826 0.5347 0.4828 -0.0039 -0.0003 -0.0244 281 TYR C CB 7536 C CG . TYR C 214 ? 0.4606 0.5142 0.4610 -0.0055 0.0006 -0.0251 281 TYR C CG 7537 C CD1 . TYR C 214 ? 0.4720 0.5284 0.4751 -0.0057 0.0016 -0.0263 281 TYR C CD1 7538 C CD2 . TYR C 214 ? 0.4636 0.5156 0.4611 -0.0069 0.0006 -0.0247 281 TYR C CD2 7539 C CE1 . TYR C 214 ? 0.4215 0.4794 0.4246 -0.0075 0.0026 -0.0270 281 TYR C CE1 7540 C CE2 . TYR C 214 ? 0.4961 0.5493 0.4934 -0.0087 0.0015 -0.0254 281 TYR C CE2 7541 C CZ . TYR C 214 ? 0.4446 0.5008 0.4447 -0.0090 0.0025 -0.0265 281 TYR C CZ 7542 O OH . TYR C 214 ? 0.4570 0.5143 0.4566 -0.0110 0.0035 -0.0272 281 TYR C OH 7543 N N . PRO C 215 ? 0.4763 0.5322 0.4832 -0.0007 -0.0021 -0.0248 282 PRO C N 7544 C CA . PRO C 215 ? 0.4875 0.5464 0.4982 0.0002 -0.0023 -0.0256 282 PRO C CA 7545 C C . PRO C 215 ? 0.5007 0.5620 0.5130 -0.0005 -0.0006 -0.0269 282 PRO C C 7546 O O . PRO C 215 ? 0.4461 0.5061 0.4566 -0.0013 0.0008 -0.0274 282 PRO C O 7547 C CB . PRO C 215 ? 0.4673 0.5247 0.4782 0.0019 -0.0027 -0.0256 282 PRO C CB 7548 C CG . PRO C 215 ? 0.4617 0.5161 0.4692 0.0013 -0.0019 -0.0252 282 PRO C CG 7549 C CD . PRO C 215 ? 0.4471 0.5004 0.4522 0.0000 -0.0020 -0.0245 282 PRO C CD 7550 N N . ARG C 216 ? 0.4960 0.5609 0.5117 -0.0005 -0.0008 -0.0275 283 ARG C N 7551 C CA . ARG C 216 ? 0.5118 0.5799 0.5298 -0.0013 0.0007 -0.0289 283 ARG C CA 7552 C C . ARG C 216 ? 0.4867 0.5586 0.5096 0.0002 0.0000 -0.0295 283 ARG C C 7553 O O . ARG C 216 ? 0.4479 0.5228 0.4731 -0.0002 -0.0007 -0.0296 283 ARG C O 7554 C CB . ARG C 216 ? 0.5249 0.5937 0.5416 -0.0035 0.0011 -0.0288 283 ARG C CB 7555 C CG . ARG C 216 ? 0.5025 0.5741 0.5207 -0.0049 0.0031 -0.0302 283 ARG C CG 7556 C CD . ARG C 216 ? 0.5105 0.5815 0.5261 -0.0074 0.0035 -0.0299 283 ARG C CD 7557 N NE . ARG C 216 ? 0.5520 0.6252 0.5683 -0.0090 0.0055 -0.0312 283 ARG C NE 7558 C CZ . ARG C 216 ? 0.5566 0.6344 0.5768 -0.0095 0.0060 -0.0322 283 ARG C CZ 7559 N NH1 . ARG C 216 ? 0.5594 0.6403 0.5834 -0.0083 0.0044 -0.0321 283 ARG C NH1 7560 N NH2 . ARG C 216 ? 0.6058 0.6854 0.6262 -0.0113 0.0080 -0.0334 283 ARG C NH2 7561 N N . TYR C 217 ? 0.4717 0.5431 0.4959 0.0022 0.0000 -0.0299 284 TYR C N 7562 C CA . TYR C 217 ? 0.5075 0.5811 0.5355 0.0042 -0.0013 -0.0302 284 TYR C CA 7563 C C . TYR C 217 ? 0.5555 0.6344 0.5880 0.0040 -0.0010 -0.0313 284 TYR C C 7564 O O . TYR C 217 ? 0.5015 0.5825 0.5348 0.0027 0.0009 -0.0323 284 TYR C O 7565 C CB . TYR C 217 ? 0.5615 0.6337 0.5898 0.0062 -0.0008 -0.0308 284 TYR C CB 7566 C CG . TYR C 217 ? 0.5999 0.6734 0.6315 0.0086 -0.0023 -0.0310 284 TYR C CG 7567 C CD1 . TYR C 217 ? 0.6111 0.6817 0.6412 0.0097 -0.0045 -0.0298 284 TYR C CD1 7568 C CD2 . TYR C 217 ? 0.6585 0.7363 0.6949 0.0097 -0.0017 -0.0324 284 TYR C CD2 7569 C CE1 . TYR C 217 ? 0.6036 0.6752 0.6365 0.0119 -0.0061 -0.0299 284 TYR C CE1 7570 C CE2 . TYR C 217 ? 0.6166 0.6957 0.6562 0.0121 -0.0034 -0.0325 284 TYR C CE2 7571 C CZ . TYR C 217 ? 0.6230 0.6987 0.6607 0.0132 -0.0057 -0.0312 284 TYR C CZ 7572 O OH . TYR C 217 ? 0.6967 0.7732 0.7372 0.0157 -0.0075 -0.0313 284 TYR C OH 7573 N N . PRO C 218 ? 0.5465 0.6277 0.5819 0.0049 -0.0030 -0.0309 285 PRO C N 7574 C CA . PRO C 218 ? 0.5446 0.6235 0.5792 0.0062 -0.0055 -0.0296 285 PRO C CA 7575 C C . PRO C 218 ? 0.5769 0.6535 0.6080 0.0046 -0.0066 -0.0282 285 PRO C C 7576 O O . PRO C 218 ? 0.5852 0.6602 0.6157 0.0053 -0.0087 -0.0272 285 PRO C O 7577 C CB . PRO C 218 ? 0.5394 0.6227 0.5792 0.0076 -0.0069 -0.0302 285 PRO C CB 7578 C CG . PRO C 218 ? 0.5578 0.6456 0.5999 0.0057 -0.0055 -0.0311 285 PRO C CG 7579 C CD . PRO C 218 ? 0.5726 0.6592 0.6124 0.0044 -0.0028 -0.0318 285 PRO C CD 7580 N N . ASP C 219 ? 0.5524 0.6286 0.5812 0.0023 -0.0053 -0.0282 286 ASP C N 7581 C CA . ASP C 219 ? 0.5033 0.5775 0.5290 0.0008 -0.0062 -0.0270 286 ASP C CA 7582 C C . ASP C 219 ? 0.5135 0.5833 0.5344 0.0000 -0.0055 -0.0263 286 ASP C C 7583 O O . ASP C 219 ? 0.5090 0.5770 0.5288 0.0007 -0.0045 -0.0265 286 ASP C O 7584 C CB . ASP C 219 ? 0.5283 0.6058 0.5554 -0.0011 -0.0057 -0.0275 286 ASP C CB 7585 C CG . ASP C 219 ? 0.6970 0.7792 0.7292 -0.0003 -0.0068 -0.0281 286 ASP C CG 7586 O OD1 . ASP C 219 ? 0.7063 0.7884 0.7397 0.0011 -0.0090 -0.0274 286 ASP C OD1 7587 O OD2 . ASP C 219 ? 0.7956 0.8818 0.8307 -0.0011 -0.0055 -0.0293 286 ASP C OD2 7588 N N . VAL C 220 ? 0.5014 0.5694 0.5194 -0.0013 -0.0060 -0.0254 287 VAL C N 7589 C CA . VAL C 220 ? 0.4773 0.5415 0.4910 -0.0021 -0.0054 -0.0247 287 VAL C CA 7590 C C . VAL C 220 ? 0.4829 0.5470 0.4946 -0.0042 -0.0047 -0.0247 287 VAL C C 7591 O O . VAL C 220 ? 0.4406 0.5066 0.4533 -0.0052 -0.0053 -0.0247 287 VAL C O 7592 C CB . VAL C 220 ? 0.4948 0.5560 0.5062 -0.0014 -0.0069 -0.0235 287 VAL C CB 7593 C CG1 . VAL C 220 ? 0.4736 0.5315 0.4809 -0.0022 -0.0063 -0.0228 287 VAL C CG1 7594 C CG2 . VAL C 220 ? 0.4947 0.5553 0.5073 0.0005 -0.0076 -0.0234 287 VAL C CG2 7595 N N . ARG C 221 ? 0.4631 0.5250 0.4718 -0.0050 -0.0033 -0.0248 288 ARG C N 7596 C CA . ARG C 221 ? 0.4702 0.5313 0.4764 -0.0071 -0.0026 -0.0248 288 ARG C CA 7597 C C . ARG C 221 ? 0.4569 0.5137 0.4587 -0.0073 -0.0025 -0.0239 288 ARG C C 7598 O O . ARG C 221 ? 0.4718 0.5268 0.4727 -0.0063 -0.0023 -0.0237 288 ARG C O 7599 C CB . ARG C 221 ? 0.4897 0.5524 0.4967 -0.0081 -0.0008 -0.0259 288 ARG C CB 7600 C CG . ARG C 221 ? 0.5283 0.5896 0.5321 -0.0104 0.0001 -0.0260 288 ARG C CG 7601 C CD . ARG C 221 ? 0.5745 0.6383 0.5796 -0.0117 0.0018 -0.0273 288 ARG C CD 7602 N NE . ARG C 221 ? 0.6141 0.6822 0.6228 -0.0125 0.0015 -0.0279 288 ARG C NE 7603 C CZ . ARG C 221 ? 0.5726 0.6443 0.5838 -0.0135 0.0029 -0.0292 288 ARG C CZ 7604 N NH1 . ARG C 221 ? 0.5714 0.6424 0.5815 -0.0141 0.0047 -0.0300 288 ARG C NH1 7605 N NH2 . ARG C 221 ? 0.5345 0.6103 0.5492 -0.0141 0.0025 -0.0296 288 ARG C NH2 7606 N N . CYS C 222 ? 0.4726 0.5279 0.4718 -0.0086 -0.0029 -0.0234 289 CYS C N 7607 C CA . CYS C 222 ? 0.4951 0.5466 0.4904 -0.0086 -0.0029 -0.0226 289 CYS C CA 7608 C C . CYS C 222 ? 0.4991 0.5489 0.4912 -0.0104 -0.0021 -0.0227 289 CYS C C 7609 O O . CYS C 222 ? 0.5338 0.5850 0.5262 -0.0119 -0.0020 -0.0231 289 CYS C O 7610 C CB . CYS C 222 ? 0.4934 0.5436 0.4878 -0.0081 -0.0043 -0.0217 289 CYS C CB 7611 S SG . CYS C 222 ? 0.5791 0.6308 0.5765 -0.0062 -0.0056 -0.0214 289 CYS C SG 7612 N N . VAL C 223 ? 0.4586 0.5053 0.4476 -0.0103 -0.0016 -0.0224 290 VAL C N 7613 C CA . VAL C 223 ? 0.4749 0.5188 0.4600 -0.0118 -0.0011 -0.0223 290 VAL C CA 7614 C C . VAL C 223 ? 0.4868 0.5275 0.4690 -0.0109 -0.0018 -0.0214 290 VAL C C 7615 O O . VAL C 223 ? 0.4555 0.4953 0.4378 -0.0095 -0.0020 -0.0210 290 VAL C O 7616 C CB . VAL C 223 ? 0.5056 0.5486 0.4894 -0.0124 0.0000 -0.0229 290 VAL C CB 7617 C CG1 . VAL C 223 ? 0.5207 0.5602 0.5000 -0.0138 0.0003 -0.0227 290 VAL C CG1 7618 C CG2 . VAL C 223 ? 0.5253 0.5716 0.5120 -0.0133 0.0009 -0.0239 290 VAL C CG2 7619 N N . CYS C 224 ? 0.5009 0.5398 0.4806 -0.0119 -0.0021 -0.0211 291 CYS C N 7620 C CA . CYS C 224 ? 0.4813 0.5176 0.4588 -0.0111 -0.0028 -0.0203 291 CYS C CA 7621 C C . CYS C 224 ? 0.4726 0.5049 0.4454 -0.0118 -0.0025 -0.0201 291 CYS C C 7622 O O . CYS C 224 ? 0.5041 0.5352 0.4751 -0.0128 -0.0018 -0.0205 291 CYS C O 7623 C CB . CYS C 224 ? 0.5198 0.5574 0.4984 -0.0113 -0.0037 -0.0201 291 CYS C CB 7624 S SG . CYS C 224 ? 0.5875 0.6296 0.5713 -0.0106 -0.0043 -0.0204 291 CYS C SG 7625 N N . ARG C 225 ? 0.4479 0.4780 0.4188 -0.0111 -0.0030 -0.0196 292 ARG C N 7626 C CA . ARG C 225 ? 0.4729 0.4989 0.4393 -0.0113 -0.0029 -0.0193 292 ARG C CA 7627 C C . ARG C 225 ? 0.4926 0.5173 0.4569 -0.0126 -0.0032 -0.0192 292 ARG C C 7628 O O . ARG C 225 ? 0.4611 0.4868 0.4266 -0.0121 -0.0038 -0.0189 292 ARG C O 7629 C CB . ARG C 225 ? 0.4850 0.5095 0.4508 -0.0093 -0.0030 -0.0188 292 ARG C CB 7630 C CG . ARG C 225 ? 0.5139 0.5342 0.4755 -0.0090 -0.0030 -0.0185 292 ARG C CG 7631 C CD . ARG C 225 ? 0.5048 0.5248 0.4671 -0.0069 -0.0031 -0.0180 292 ARG C CD 7632 N NE . ARG C 225 ? 0.5416 0.5578 0.5001 -0.0062 -0.0031 -0.0178 292 ARG C NE 7633 C CZ . ARG C 225 ? 0.5417 0.5573 0.5002 -0.0044 -0.0031 -0.0175 292 ARG C CZ 7634 N NH1 . ARG C 225 ? 0.5358 0.5541 0.4976 -0.0032 -0.0031 -0.0173 292 ARG C NH1 7635 N NH2 . ARG C 225 ? 0.5496 0.5617 0.5048 -0.0037 -0.0030 -0.0174 292 ARG C NH2 7636 N N . ASP C 226 ? 0.5484 0.5709 0.5094 -0.0143 -0.0030 -0.0194 293 ASP C N 7637 C CA . ASP C 226 ? 0.5527 0.5724 0.5102 -0.0156 -0.0032 -0.0193 293 ASP C CA 7638 C C . ASP C 226 ? 0.5294 0.5443 0.4826 -0.0144 -0.0032 -0.0189 293 ASP C C 7639 O O . ASP C 226 ? 0.6690 0.6813 0.6196 -0.0144 -0.0028 -0.0190 293 ASP C O 7640 C CB . ASP C 226 ? 0.6016 0.6214 0.5576 -0.0182 -0.0030 -0.0198 293 ASP C CB 7641 C CG . ASP C 226 ? 0.6192 0.6367 0.5720 -0.0199 -0.0034 -0.0196 293 ASP C CG 7642 O OD1 . ASP C 226 ? 0.6049 0.6183 0.5539 -0.0192 -0.0036 -0.0192 293 ASP C OD1 7643 O OD2 . ASP C 226 ? 0.6171 0.6369 0.5708 -0.0220 -0.0035 -0.0199 293 ASP C OD2 7644 N N . ASN C 227 ? 0.5614 0.5754 0.5141 -0.0134 -0.0035 -0.0185 294 ASN C N 7645 C CA . ASN C 227 ? 0.5703 0.5808 0.5202 -0.0118 -0.0035 -0.0181 294 ASN C CA 7646 C C . ASN C 227 ? 0.6522 0.6579 0.5966 -0.0129 -0.0034 -0.0181 294 ASN C C 7647 O O . ASN C 227 ? 0.5737 0.5758 0.5151 -0.0116 -0.0033 -0.0180 294 ASN C O 7648 C CB . ASN C 227 ? 0.7691 0.7820 0.7214 -0.0119 -0.0039 -0.0179 294 ASN C CB 7649 C CG . ASN C 227 ? 0.6041 0.6148 0.5544 -0.0110 -0.0040 -0.0176 294 ASN C CG 7650 O OD1 . ASN C 227 ? 0.6891 0.7000 0.6404 -0.0091 -0.0038 -0.0174 294 ASN C OD1 7651 N ND2 . ASN C 227 ? 0.8191 0.8287 0.7676 -0.0125 -0.0044 -0.0176 294 ASN C ND2 7652 N N . TRP C 228 ? 0.5618 0.5673 0.5048 -0.0154 -0.0036 -0.0184 295 TRP C N 7653 C CA . TRP C 228 ? 0.5846 0.5855 0.5223 -0.0168 -0.0037 -0.0183 295 TRP C CA 7654 C C . TRP C 228 ? 0.5796 0.5785 0.5140 -0.0192 -0.0036 -0.0186 295 TRP C C 7655 O O . TRP C 228 ? 0.6204 0.6143 0.5498 -0.0194 -0.0035 -0.0186 295 TRP C O 7656 C CB . TRP C 228 ? 0.6101 0.6124 0.5486 -0.0176 -0.0042 -0.0181 295 TRP C CB 7657 C CG . TRP C 228 ? 0.6985 0.6961 0.6318 -0.0185 -0.0043 -0.0180 295 TRP C CG 7658 C CD1 . TRP C 228 ? 0.6324 0.6290 0.5634 -0.0211 -0.0048 -0.0180 295 TRP C CD1 7659 C CD2 . TRP C 228 ? 0.6974 0.6905 0.6270 -0.0168 -0.0040 -0.0178 295 TRP C CD2 7660 N NE1 . TRP C 228 ? 0.6793 0.6708 0.6051 -0.0212 -0.0048 -0.0179 295 TRP C NE1 7661 C CE2 . TRP C 228 ? 0.7274 0.7164 0.6521 -0.0185 -0.0042 -0.0178 295 TRP C CE2 7662 C CE3 . TRP C 228 ? 0.7649 0.7568 0.6947 -0.0140 -0.0035 -0.0178 295 TRP C CE3 7663 C CZ2 . TRP C 228 ? 0.7963 0.7801 0.7163 -0.0173 -0.0039 -0.0177 295 TRP C CZ2 7664 C CZ3 . TRP C 228 ? 0.8132 0.8002 0.7386 -0.0128 -0.0032 -0.0177 295 TRP C CZ3 7665 C CH2 . TRP C 228 ? 0.8110 0.7938 0.7314 -0.0144 -0.0034 -0.0177 295 TRP C CH2 7666 N N . LYS C 229 ? 0.5832 0.5858 0.5204 -0.0211 -0.0035 -0.0190 296 LYS C N 7667 C CA . LYS C 229 ? 0.6546 0.6554 0.5885 -0.0239 -0.0033 -0.0193 296 LYS C CA 7668 C C . LYS C 229 ? 0.5772 0.5798 0.5125 -0.0247 -0.0027 -0.0197 296 LYS C C 7669 O O . LYS C 229 ? 0.7297 0.7303 0.6617 -0.0269 -0.0024 -0.0200 296 LYS C O 7670 C CB . LYS C 229 ? 0.7645 0.7676 0.6992 -0.0264 -0.0037 -0.0194 296 LYS C CB 7671 C CG . LYS C 229 ? 0.9146 0.9151 0.8468 -0.0261 -0.0044 -0.0190 296 LYS C CG 7672 C CD . LYS C 229 ? 0.9598 0.9591 0.8890 -0.0292 -0.0048 -0.0190 296 LYS C CD 7673 C CE . LYS C 229 ? 1.0323 1.0377 0.9666 -0.0308 -0.0053 -0.0192 296 LYS C CE 7674 N NZ . LYS C 229 ? 1.1479 1.1529 1.0797 -0.0343 -0.0055 -0.0194 296 LYS C NZ 7675 N N . GLY C 230 ? 0.6395 0.6461 0.5796 -0.0231 -0.0025 -0.0199 297 GLY C N 7676 C CA . GLY C 230 ? 0.5923 0.6012 0.5342 -0.0240 -0.0018 -0.0204 297 GLY C CA 7677 C C . GLY C 230 ? 0.5342 0.5425 0.4769 -0.0218 -0.0016 -0.0203 297 GLY C C 7678 O O . GLY C 230 ? 0.5551 0.5649 0.5006 -0.0195 -0.0019 -0.0199 297 GLY C O 7679 N N . SER C 231 ? 0.5002 0.5062 0.4402 -0.0228 -0.0012 -0.0205 298 SER C N 7680 C CA . SER C 231 ? 0.5255 0.5317 0.4666 -0.0213 -0.0010 -0.0205 298 SER C CA 7681 C C . SER C 231 ? 0.5425 0.5536 0.4879 -0.0222 -0.0002 -0.0211 298 SER C C 7682 O O . SER C 231 ? 0.5706 0.5825 0.5175 -0.0212 0.0000 -0.0212 298 SER C O 7683 C CB . SER C 231 ? 0.5649 0.5655 0.5004 -0.0218 -0.0011 -0.0204 298 SER C CB 7684 O OG . SER C 231 ? 0.5685 0.5673 0.5005 -0.0248 -0.0006 -0.0208 298 SER C OG 7685 N N . ASN C 232 ? 0.5447 0.5589 0.4920 -0.0242 0.0000 -0.0216 299 ASN C N 7686 C CA . ASN C 232 ? 0.5505 0.5701 0.5029 -0.0246 0.0007 -0.0223 299 ASN C CA 7687 C C . ASN C 232 ? 0.5163 0.5396 0.4736 -0.0224 0.0001 -0.0220 299 ASN C C 7688 O O . ASN C 232 ? 0.5882 0.6107 0.5450 -0.0218 -0.0006 -0.0215 299 ASN C O 7689 C CB . ASN C 232 ? 0.5087 0.5305 0.4613 -0.0276 0.0014 -0.0231 299 ASN C CB 7690 C CG . ASN C 232 ? 0.5201 0.5416 0.4715 -0.0290 0.0008 -0.0229 299 ASN C CG 7691 O OD1 . ASN C 232 ? 0.5224 0.5406 0.4711 -0.0282 0.0000 -0.0222 299 ASN C OD1 7692 N ND2 . ASN C 232 ? 0.5050 0.5303 0.4588 -0.0312 0.0012 -0.0235 299 ASN C ND2 7693 N N . ARG C 233 ? 0.5365 0.5634 0.4981 -0.0213 0.0004 -0.0223 300 ARG C N 7694 C CA . ARG C 233 ? 0.5163 0.5461 0.4821 -0.0192 -0.0001 -0.0220 300 ARG C CA 7695 C C . ARG C 233 ? 0.5453 0.5796 0.5151 -0.0198 -0.0003 -0.0224 300 ARG C C 7696 O O . ARG C 233 ? 0.4994 0.5366 0.4713 -0.0213 0.0003 -0.0232 300 ARG C O 7697 C CB . ARG C 233 ? 0.4817 0.5126 0.4497 -0.0174 0.0001 -0.0221 300 ARG C CB 7698 C CG . ARG C 233 ? 0.4874 0.5143 0.4522 -0.0163 0.0000 -0.0215 300 ARG C CG 7699 C CD . ARG C 233 ? 0.4759 0.5042 0.4434 -0.0144 -0.0001 -0.0214 300 ARG C CD 7700 N NE . ARG C 233 ? 0.4651 0.4900 0.4299 -0.0132 -0.0004 -0.0208 300 ARG C NE 7701 C CZ . ARG C 233 ? 0.4838 0.5073 0.4479 -0.0117 -0.0012 -0.0201 300 ARG C CZ 7702 N NH1 . ARG C 233 ? 0.4431 0.4678 0.4085 -0.0113 -0.0016 -0.0199 300 ARG C NH1 7703 N NH2 . ARG C 233 ? 0.5261 0.5469 0.4881 -0.0105 -0.0015 -0.0197 300 ARG C NH2 7704 N N . PRO C 234 ? 0.5081 0.5430 0.4791 -0.0189 -0.0013 -0.0219 301 PRO C N 7705 C CA . PRO C 234 ? 0.5477 0.5870 0.5230 -0.0191 -0.0018 -0.0221 301 PRO C CA 7706 C C . PRO C 234 ? 0.5144 0.5575 0.4945 -0.0177 -0.0016 -0.0226 301 PRO C C 7707 O O . PRO C 234 ? 0.5583 0.6006 0.5387 -0.0160 -0.0014 -0.0224 301 PRO C O 7708 C CB . PRO C 234 ? 0.5549 0.5930 0.5296 -0.0180 -0.0030 -0.0213 301 PRO C CB 7709 C CG . PRO C 234 ? 0.5536 0.5868 0.5237 -0.0176 -0.0030 -0.0208 301 PRO C CG 7710 C CD . PRO C 234 ? 0.5223 0.5540 0.4910 -0.0174 -0.0020 -0.0210 301 PRO C CD 7711 N N . VAL C 235 ? 0.4857 0.5331 0.4696 -0.0183 -0.0016 -0.0231 302 VAL C N 7712 C CA . VAL C 235 ? 0.4412 0.4923 0.4298 -0.0169 -0.0015 -0.0236 302 VAL C CA 7713 C C . VAL C 235 ? 0.4370 0.4908 0.4288 -0.0163 -0.0029 -0.0234 302 VAL C C 7714 O O . VAL C 235 ? 0.5304 0.5858 0.5226 -0.0178 -0.0033 -0.0235 302 VAL C O 7715 C CB . VAL C 235 ? 0.4266 0.4804 0.4170 -0.0183 -0.0001 -0.0248 302 VAL C CB 7716 C CG1 . VAL C 235 ? 0.4748 0.5320 0.4697 -0.0165 0.0000 -0.0253 302 VAL C CG1 7717 C CG2 . VAL C 235 ? 0.4902 0.5404 0.4764 -0.0191 0.0010 -0.0249 302 VAL C CG2 7718 N N . ILE C 236 ? 0.4579 0.5126 0.4521 -0.0142 -0.0035 -0.0231 303 ILE C N 7719 C CA . ILE C 236 ? 0.4371 0.4946 0.4348 -0.0134 -0.0049 -0.0230 303 ILE C CA 7720 C C . ILE C 236 ? 0.4961 0.5573 0.4985 -0.0120 -0.0048 -0.0237 303 ILE C C 7721 O O . ILE C 236 ? 0.5162 0.5765 0.5188 -0.0106 -0.0042 -0.0237 303 ILE C O 7722 C CB . ILE C 236 ? 0.3879 0.4425 0.3837 -0.0121 -0.0061 -0.0219 303 ILE C CB 7723 C CG1 . ILE C 236 ? 0.4296 0.4807 0.4208 -0.0135 -0.0061 -0.0214 303 ILE C CG1 7724 C CG2 . ILE C 236 ? 0.4345 0.4913 0.4329 -0.0116 -0.0078 -0.0216 303 ILE C CG2 7725 C CD1 . ILE C 236 ? 0.4990 0.5468 0.4878 -0.0122 -0.0068 -0.0205 303 ILE C CD1 7726 N N . ASP C 237 ? 0.5421 0.6073 0.5483 -0.0123 -0.0054 -0.0241 304 ASP C N 7727 C CA . ASP C 237 ? 0.5366 0.6053 0.5476 -0.0106 -0.0056 -0.0248 304 ASP C CA 7728 C C . ASP C 237 ? 0.4677 0.5372 0.4806 -0.0091 -0.0077 -0.0241 304 ASP C C 7729 O O . ASP C 237 ? 0.5383 0.6083 0.5511 -0.0101 -0.0090 -0.0237 304 ASP C O 7730 C CB . ASP C 237 ? 0.5366 0.6101 0.5513 -0.0117 -0.0047 -0.0260 304 ASP C CB 7731 C CG . ASP C 237 ? 0.6487 0.7219 0.6623 -0.0125 -0.0025 -0.0269 304 ASP C CG 7732 O OD1 . ASP C 237 ? 0.7816 0.8521 0.7933 -0.0115 -0.0018 -0.0267 304 ASP C OD1 7733 O OD2 . ASP C 237 ? 0.8071 0.8827 0.8214 -0.0145 -0.0014 -0.0277 304 ASP C OD2 7734 N N . ILE C 238 ? 0.4625 0.5317 0.4770 -0.0070 -0.0080 -0.0241 305 ILE C N 7735 C CA . ILE C 238 ? 0.4824 0.5512 0.4978 -0.0055 -0.0100 -0.0234 305 ILE C CA 7736 C C . ILE C 238 ? 0.5302 0.6023 0.5503 -0.0037 -0.0104 -0.0241 305 ILE C C 7737 O O . ILE C 238 ? 0.4902 0.5623 0.5112 -0.0025 -0.0094 -0.0246 305 ILE C O 7738 C CB . ILE C 238 ? 0.4937 0.5582 0.5059 -0.0044 -0.0102 -0.0225 305 ILE C CB 7739 C CG1 . ILE C 238 ? 0.5065 0.5677 0.5141 -0.0059 -0.0096 -0.0219 305 ILE C CG1 7740 C CG2 . ILE C 238 ? 0.4777 0.5414 0.4904 -0.0031 -0.0122 -0.0218 305 ILE C CG2 7741 C CD1 . ILE C 238 ? 0.5155 0.5729 0.5201 -0.0049 -0.0096 -0.0211 305 ILE C CD1 7742 N N . ASN C 239 ? 0.5257 0.6008 0.5489 -0.0036 -0.0121 -0.0241 306 ASN C N 7743 C CA . ASN C 239 ? 0.5526 0.6312 0.5806 -0.0017 -0.0127 -0.0248 306 ASN C CA 7744 C C . ASN C 239 ? 0.5361 0.6122 0.5637 0.0002 -0.0145 -0.0240 306 ASN C C 7745 O O . ASN C 239 ? 0.5702 0.6448 0.5965 0.0001 -0.0164 -0.0231 306 ASN C O 7746 C CB . ASN C 239 ? 0.5835 0.6664 0.6150 -0.0025 -0.0139 -0.0251 306 ASN C CB 7747 C CG . ASN C 239 ? 0.6034 0.6907 0.6407 -0.0005 -0.0144 -0.0260 306 ASN C CG 7748 O OD1 . ASN C 239 ? 0.6494 0.7357 0.6876 0.0016 -0.0157 -0.0258 306 ASN C OD1 7749 N ND2 . ASN C 239 ? 0.5957 0.6877 0.6365 -0.0014 -0.0133 -0.0272 306 ASN C ND2 7750 N N . MET C 240 ? 0.6027 0.6780 0.6310 0.0020 -0.0139 -0.0245 307 MET C N 7751 C CA . MET C 240 ? 0.5920 0.6643 0.6191 0.0038 -0.0154 -0.0237 307 MET C CA 7752 C C . MET C 240 ? 0.6025 0.6768 0.6332 0.0056 -0.0175 -0.0238 307 MET C C 7753 O O . MET C 240 ? 0.6869 0.7584 0.7162 0.0068 -0.0192 -0.0230 307 MET C O 7754 C CB . MET C 240 ? 0.5815 0.6515 0.6073 0.0049 -0.0138 -0.0240 307 MET C CB 7755 C CG . MET C 240 ? 0.5726 0.6400 0.5945 0.0033 -0.0121 -0.0238 307 MET C CG 7756 S SD . MET C 240 ? 0.6423 0.7051 0.6591 0.0024 -0.0132 -0.0222 307 MET C SD 7757 C CE . MET C 240 ? 0.7037 0.7631 0.7191 0.0043 -0.0138 -0.0217 307 MET C CE 7758 N N . ALA C 241 ? 0.6123 0.6915 0.6476 0.0057 -0.0176 -0.0246 308 ALA C N 7759 C CA . ALA C 241 ? 0.6076 0.6894 0.6469 0.0075 -0.0198 -0.0248 308 ALA C CA 7760 C C . ALA C 241 ? 0.6476 0.7296 0.6865 0.0065 -0.0222 -0.0238 308 ALA C C 7761 O O . ALA C 241 ? 0.7423 0.8231 0.7815 0.0079 -0.0246 -0.0232 308 ALA C O 7762 C CB . ALA C 241 ? 0.4803 0.5680 0.5254 0.0082 -0.0187 -0.0264 308 ALA C CB 7763 N N . ASP C 242 ? 0.6401 0.7234 0.6781 0.0040 -0.0216 -0.0237 309 ASP C N 7764 C CA . ASP C 242 ? 0.6735 0.7569 0.7108 0.0028 -0.0239 -0.0228 309 ASP C CA 7765 C C . ASP C 242 ? 0.6576 0.7367 0.6891 0.0005 -0.0236 -0.0217 309 ASP C C 7766 O O . ASP C 242 ? 0.5798 0.6587 0.6102 -0.0008 -0.0251 -0.0211 309 ASP C O 7767 C CB . ASP C 242 ? 0.6625 0.7520 0.7046 0.0018 -0.0241 -0.0236 309 ASP C CB 7768 C CG . ASP C 242 ? 0.6895 0.7806 0.7308 -0.0006 -0.0216 -0.0243 309 ASP C CG 7769 O OD1 . ASP C 242 ? 0.7832 0.8707 0.8202 -0.0016 -0.0198 -0.0240 309 ASP C OD1 7770 O OD2 . ASP C 242 ? 0.7822 0.8784 0.8274 -0.0015 -0.0213 -0.0251 309 ASP C OD2 7771 N N . TYR C 243 ? 0.5340 0.6098 0.5620 0.0002 -0.0216 -0.0217 310 TYR C N 7772 C CA . TYR C 243 ? 0.5786 0.6502 0.6012 -0.0014 -0.0212 -0.0208 310 TYR C CA 7773 C C . TYR C 243 ? 0.5278 0.6003 0.5491 -0.0040 -0.0204 -0.0209 310 TYR C C 7774 O O . TYR C 243 ? 0.5597 0.6288 0.5767 -0.0053 -0.0204 -0.0201 310 TYR C O 7775 C CB . TYR C 243 ? 0.5952 0.6633 0.6150 -0.0012 -0.0235 -0.0195 310 TYR C CB 7776 C CG . TYR C 243 ? 0.5924 0.6584 0.6122 0.0009 -0.0245 -0.0192 310 TYR C CG 7777 C CD1 . TYR C 243 ? 0.6528 0.7175 0.6722 0.0020 -0.0228 -0.0196 310 TYR C CD1 7778 C CD2 . TYR C 243 ? 0.6727 0.7378 0.6927 0.0017 -0.0271 -0.0186 310 TYR C CD2 7779 C CE1 . TYR C 243 ? 0.6679 0.7306 0.6871 0.0039 -0.0237 -0.0194 310 TYR C CE1 7780 C CE2 . TYR C 243 ? 0.6649 0.7277 0.6845 0.0036 -0.0281 -0.0183 310 TYR C CE2 7781 C CZ . TYR C 243 ? 0.6706 0.7322 0.6898 0.0047 -0.0264 -0.0187 310 TYR C CZ 7782 O OH . TYR C 243 ? 0.7192 0.7782 0.7377 0.0064 -0.0273 -0.0184 310 TYR C OH 7783 N N . SER C 244 ? 0.5237 0.6007 0.5485 -0.0047 -0.0196 -0.0218 311 SER C N 7784 C CA . SER C 244 ? 0.5646 0.6425 0.5880 -0.0074 -0.0188 -0.0220 311 SER C CA 7785 C C . SER C 244 ? 0.5593 0.6350 0.5797 -0.0082 -0.0162 -0.0223 311 SER C C 7786 O O . SER C 244 ? 0.4854 0.5608 0.5064 -0.0069 -0.0148 -0.0228 311 SER C O 7787 C CB . SER C 244 ? 0.5540 0.6379 0.5825 -0.0081 -0.0190 -0.0229 311 SER C CB 7788 O OG . SER C 244 ? 0.5677 0.6548 0.6000 -0.0068 -0.0174 -0.0241 311 SER C OG 7789 N N . ILE C 245 ? 0.5405 0.6147 0.5576 -0.0105 -0.0156 -0.0221 312 ILE C N 7790 C CA . ILE C 245 ? 0.5195 0.5907 0.5327 -0.0115 -0.0136 -0.0222 312 ILE C CA 7791 C C . ILE C 245 ? 0.5344 0.6075 0.5474 -0.0140 -0.0124 -0.0229 312 ILE C C 7792 O O . ILE C 245 ? 0.5358 0.6108 0.5495 -0.0156 -0.0134 -0.0228 312 ILE C O 7793 C CB . ILE C 245 ? 0.5402 0.6063 0.5482 -0.0120 -0.0142 -0.0211 312 ILE C CB 7794 C CG1 . ILE C 245 ? 0.5778 0.6418 0.5855 -0.0100 -0.0156 -0.0203 312 ILE C CG1 7795 C CG2 . ILE C 245 ? 0.5699 0.6325 0.5738 -0.0126 -0.0123 -0.0211 312 ILE C CG2 7796 C CD1 . ILE C 245 ? 0.5607 0.6240 0.5692 -0.0080 -0.0146 -0.0205 312 ILE C CD1 7797 N N . ASP C 246 ? 0.5164 0.5887 0.5281 -0.0145 -0.0103 -0.0235 313 ASP C N 7798 C CA . ASP C 246 ? 0.4994 0.5720 0.5093 -0.0171 -0.0091 -0.0239 313 ASP C CA 7799 C C . ASP C 246 ? 0.4986 0.5665 0.5036 -0.0175 -0.0076 -0.0237 313 ASP C C 7800 O O . ASP C 246 ? 0.4887 0.5544 0.4929 -0.0156 -0.0073 -0.0235 313 ASP C O 7801 C CB . ASP C 246 ? 0.5629 0.6408 0.5772 -0.0178 -0.0080 -0.0252 313 ASP C CB 7802 C CG . ASP C 246 ? 0.6730 0.7525 0.6864 -0.0210 -0.0076 -0.0256 313 ASP C CG 7803 O OD1 . ASP C 246 ? 0.7764 0.8525 0.7853 -0.0227 -0.0081 -0.0249 313 ASP C OD1 7804 O OD2 . ASP C 246 ? 0.8127 0.8969 0.8298 -0.0219 -0.0067 -0.0267 313 ASP C OD2 7805 N N . SER C 247 ? 0.4828 0.5490 0.4844 -0.0198 -0.0068 -0.0238 314 SER C N 7806 C CA . SER C 247 ? 0.4839 0.5456 0.4807 -0.0202 -0.0056 -0.0236 314 SER C CA 7807 C C . SER C 247 ? 0.5024 0.5634 0.4965 -0.0229 -0.0044 -0.0241 314 SER C C 7808 O O . SER C 247 ? 0.5166 0.5797 0.5114 -0.0248 -0.0048 -0.0243 314 SER C O 7809 C CB . SER C 247 ? 0.5229 0.5799 0.5157 -0.0194 -0.0066 -0.0225 314 SER C CB 7810 O OG . SER C 247 ? 0.4895 0.5454 0.4801 -0.0212 -0.0075 -0.0220 314 SER C OG 7811 N N . SER C 248 ? 0.5402 0.5980 0.5309 -0.0231 -0.0031 -0.0242 315 SER C N 7812 C CA . SER C 248 ? 0.5301 0.5862 0.5173 -0.0257 -0.0019 -0.0246 315 SER C CA 7813 C C . SER C 248 ? 0.5151 0.5661 0.4979 -0.0250 -0.0011 -0.0243 315 SER C C 7814 O O . SER C 248 ? 0.4922 0.5406 0.4738 -0.0231 -0.0018 -0.0235 315 SER C O 7815 C CB . SER C 248 ? 0.5348 0.5957 0.5258 -0.0269 -0.0006 -0.0259 315 SER C CB 7816 O OG . SER C 248 ? 0.5912 0.6530 0.5844 -0.0250 0.0002 -0.0263 315 SER C OG 7817 N N . TYR C 249 ? 0.4981 0.5474 0.4781 -0.0267 0.0001 -0.0248 316 TYR C N 7818 C CA . TYR C 249 ? 0.5078 0.5523 0.4834 -0.0262 0.0008 -0.0245 316 TYR C CA 7819 C C . TYR C 249 ? 0.5428 0.5887 0.5194 -0.0267 0.0023 -0.0254 316 TYR C C 7820 O O . TYR C 249 ? 0.5650 0.6144 0.5438 -0.0285 0.0032 -0.0264 316 TYR C O 7821 C CB . TYR C 249 ? 0.5242 0.5637 0.4937 -0.0281 0.0007 -0.0241 316 TYR C CB 7822 C CG . TYR C 249 ? 0.5204 0.5570 0.4877 -0.0272 -0.0006 -0.0232 316 TYR C CG 7823 C CD1 . TYR C 249 ? 0.5399 0.5785 0.5085 -0.0280 -0.0015 -0.0230 316 TYR C CD1 7824 C CD2 . TYR C 249 ? 0.5425 0.5747 0.5067 -0.0254 -0.0009 -0.0225 316 TYR C CD2 7825 C CE1 . TYR C 249 ? 0.5437 0.5794 0.5100 -0.0273 -0.0026 -0.0222 316 TYR C CE1 7826 C CE2 . TYR C 249 ? 0.5244 0.5541 0.4866 -0.0245 -0.0019 -0.0217 316 TYR C CE2 7827 C CZ . TYR C 249 ? 0.5523 0.5836 0.5155 -0.0255 -0.0027 -0.0216 316 TYR C CZ 7828 O OH . TYR C 249 ? 0.5784 0.6069 0.5392 -0.0247 -0.0036 -0.0208 316 TYR C OH 7829 N N . VAL C 250 ? 0.5368 0.5799 0.5118 -0.0252 0.0026 -0.0252 317 VAL C N 7830 C CA . VAL C 250 ? 0.4729 0.5161 0.4477 -0.0256 0.0040 -0.0259 317 VAL C CA 7831 C C . VAL C 250 ? 0.5714 0.6128 0.5425 -0.0287 0.0050 -0.0265 317 VAL C C 7832 O O . VAL C 250 ? 0.5216 0.5588 0.4878 -0.0298 0.0045 -0.0259 317 VAL C O 7833 C CB . VAL C 250 ? 0.5121 0.5517 0.4849 -0.0237 0.0037 -0.0253 317 VAL C CB 7834 C CG1 . VAL C 250 ? 0.4858 0.5246 0.4574 -0.0245 0.0051 -0.0260 317 VAL C CG1 7835 C CG2 . VAL C 250 ? 0.4916 0.5332 0.4682 -0.0209 0.0029 -0.0249 317 VAL C CG2 7836 N N . CYS C 251 ? 0.5614 0.6062 0.5347 -0.0302 0.0065 -0.0276 318 CYS C N 7837 C CA . CYS C 251 ? 0.6118 0.6560 0.5822 -0.0335 0.0076 -0.0283 318 CYS C CA 7838 C C . CYS C 251 ? 0.6009 0.6391 0.5650 -0.0346 0.0081 -0.0281 318 CYS C C 7839 O O . CYS C 251 ? 0.5391 0.5743 0.4986 -0.0372 0.0083 -0.0281 318 CYS C O 7840 C CB . CYS C 251 ? 0.6474 0.6971 0.6222 -0.0347 0.0093 -0.0297 318 CYS C CB 7841 S SG . CYS C 251 ? 0.7513 0.8080 0.7326 -0.0349 0.0088 -0.0302 318 CYS C SG 7842 N N . SER C 252 ? 0.5226 0.5590 0.4863 -0.0327 0.0082 -0.0279 319 SER C N 7843 C CA . SER C 252 ? 0.5342 0.5653 0.4924 -0.0335 0.0085 -0.0277 319 SER C CA 7844 C C . SER C 252 ? 0.5836 0.6091 0.5357 -0.0346 0.0076 -0.0269 319 SER C C 7845 O O . SER C 252 ? 0.5604 0.5842 0.5119 -0.0330 0.0062 -0.0260 319 SER C O 7846 C CB . SER C 252 ? 0.5454 0.5750 0.5042 -0.0307 0.0080 -0.0272 319 SER C CB 7847 O OG . SER C 252 ? 0.4989 0.5230 0.4521 -0.0313 0.0079 -0.0268 319 SER C OG 7848 N N . GLY C 253 ? 0.5610 0.5829 0.5080 -0.0373 0.0084 -0.0272 320 GLY C N 7849 C CA . GLY C 253 ? 0.5629 0.5785 0.5033 -0.0382 0.0075 -0.0265 320 GLY C CA 7850 C C . GLY C 253 ? 0.5947 0.6054 0.5320 -0.0359 0.0064 -0.0256 320 GLY C C 7851 O O . GLY C 253 ? 0.5808 0.5864 0.5133 -0.0357 0.0054 -0.0248 320 GLY C O 7852 N N . LEU C 254 ? 0.5746 0.5868 0.5145 -0.0341 0.0067 -0.0257 321 LEU C N 7853 C CA . LEU C 254 ? 0.5734 0.5823 0.5120 -0.0315 0.0054 -0.0248 321 LEU C CA 7854 C C . LEU C 254 ? 0.5681 0.5803 0.5115 -0.0287 0.0045 -0.0242 321 LEU C C 7855 O O . LEU C 254 ? 0.5390 0.5561 0.4878 -0.0276 0.0049 -0.0246 321 LEU C O 7856 C CB . LEU C 254 ? 0.5941 0.6029 0.5329 -0.0312 0.0060 -0.0251 321 LEU C CB 7857 C CG . LEU C 254 ? 0.6579 0.6635 0.5918 -0.0342 0.0071 -0.0257 321 LEU C CG 7858 C CD1 . LEU C 254 ? 0.6505 0.6561 0.5848 -0.0340 0.0077 -0.0261 321 LEU C CD1 7859 C CD2 . LEU C 254 ? 0.7072 0.7057 0.6340 -0.0349 0.0060 -0.0250 321 LEU C CD2 7860 N N . VAL C 255 ? 0.5276 0.5371 0.4689 -0.0275 0.0033 -0.0234 322 VAL C N 7861 C CA . VAL C 255 ? 0.5271 0.5395 0.4725 -0.0254 0.0026 -0.0230 322 VAL C CA 7862 C C . VAL C 255 ? 0.5736 0.5857 0.5205 -0.0224 0.0017 -0.0223 322 VAL C C 7863 O O . VAL C 255 ? 0.5247 0.5332 0.4685 -0.0218 0.0013 -0.0220 322 VAL C O 7864 C CB . VAL C 255 ? 0.5377 0.5480 0.4806 -0.0259 0.0019 -0.0226 322 VAL C CB 7865 C CG1 . VAL C 255 ? 0.5597 0.5706 0.5011 -0.0292 0.0028 -0.0233 322 VAL C CG1 7866 C CG2 . VAL C 255 ? 0.5586 0.5628 0.4960 -0.0251 0.0010 -0.0219 322 VAL C CG2 7867 N N . GLY C 256 ? 0.5303 0.5460 0.4817 -0.0206 0.0014 -0.0221 323 GLY C N 7868 C CA . GLY C 256 ? 0.5353 0.5518 0.4890 -0.0180 0.0007 -0.0216 323 GLY C CA 7869 C C . GLY C 256 ? 0.5404 0.5550 0.4934 -0.0159 -0.0002 -0.0208 323 GLY C C 7870 O O . GLY C 256 ? 0.5534 0.5684 0.5080 -0.0139 -0.0007 -0.0203 323 GLY C O 7871 N N . ASP C 257 ? 0.5531 0.5655 0.5035 -0.0164 -0.0006 -0.0205 324 ASP C N 7872 C CA . ASP C 257 ? 0.5548 0.5656 0.5046 -0.0144 -0.0014 -0.0199 324 ASP C CA 7873 C C . ASP C 257 ? 0.5779 0.5837 0.5231 -0.0137 -0.0019 -0.0195 324 ASP C C 7874 O O . ASP C 257 ? 0.5196 0.5227 0.4617 -0.0149 -0.0018 -0.0196 324 ASP C O 7875 C CB . ASP C 257 ? 0.5420 0.5530 0.4914 -0.0150 -0.0015 -0.0198 324 ASP C CB 7876 C CG . ASP C 257 ? 0.5997 0.6123 0.5518 -0.0129 -0.0020 -0.0194 324 ASP C CG 7877 O OD1 . ASP C 257 ? 0.6521 0.6649 0.6054 -0.0109 -0.0023 -0.0190 324 ASP C OD1 7878 O OD2 . ASP C 257 ? 0.5569 0.5704 0.5095 -0.0134 -0.0021 -0.0194 324 ASP C OD2 7879 N N . THR C 258 ? 0.5440 0.5488 0.4893 -0.0115 -0.0025 -0.0189 325 THR C N 7880 C CA . THR C 258 ? 0.5598 0.5601 0.5012 -0.0103 -0.0032 -0.0185 325 THR C CA 7881 C C . THR C 258 ? 0.5397 0.5383 0.4798 -0.0092 -0.0034 -0.0182 325 THR C C 7882 O O . THR C 258 ? 0.5284 0.5299 0.4718 -0.0080 -0.0033 -0.0181 325 THR C O 7883 C CB . THR C 258 ? 0.5934 0.5947 0.5369 -0.0082 -0.0036 -0.0181 325 THR C CB 7884 O OG1 . THR C 258 ? 0.5632 0.5664 0.5082 -0.0092 -0.0034 -0.0184 325 THR C OG1 7885 C CG2 . THR C 258 ? 0.5887 0.5855 0.5285 -0.0068 -0.0045 -0.0177 325 THR C CG2 7886 N N . PRO C 259 ? 0.5570 0.5507 0.4919 -0.0098 -0.0036 -0.0182 326 PRO C N 7887 C CA . PRO C 259 ? 0.5119 0.5013 0.4420 -0.0114 -0.0038 -0.0183 326 PRO C CA 7888 C C . PRO C 259 ? 0.4796 0.4698 0.4089 -0.0146 -0.0031 -0.0188 326 PRO C C 7889 O O . PRO C 259 ? 0.5192 0.5135 0.4520 -0.0155 -0.0026 -0.0191 326 PRO C O 7890 C CB . PRO C 259 ? 0.5651 0.5493 0.4905 -0.0106 -0.0042 -0.0181 326 PRO C CB 7891 C CG . PRO C 259 ? 0.5900 0.5760 0.5172 -0.0100 -0.0039 -0.0180 326 PRO C CG 7892 C CD . PRO C 259 ? 0.5302 0.5220 0.4636 -0.0088 -0.0037 -0.0180 326 PRO C CD 7893 N N . ARG C 260 ? 0.5354 0.5219 0.4604 -0.0163 -0.0031 -0.0190 327 ARG C N 7894 C CA . ARG C 260 ? 0.5377 0.5249 0.4616 -0.0195 -0.0023 -0.0195 327 ARG C CA 7895 C C . ARG C 260 ? 0.5431 0.5243 0.4605 -0.0212 -0.0026 -0.0195 327 ARG C C 7896 O O . ARG C 260 ? 0.5641 0.5412 0.4785 -0.0195 -0.0034 -0.0191 327 ARG C O 7897 C CB . ARG C 260 ? 0.5649 0.5572 0.4936 -0.0201 -0.0016 -0.0200 327 ARG C CB 7898 C CG . ARG C 260 ? 0.5747 0.5659 0.5030 -0.0191 -0.0019 -0.0198 327 ARG C CG 7899 C CD . ARG C 260 ? 0.6264 0.6220 0.5585 -0.0201 -0.0010 -0.0204 327 ARG C CD 7900 N NE . ARG C 260 ? 0.6136 0.6077 0.5449 -0.0193 -0.0014 -0.0202 327 ARG C NE 7901 C CZ . ARG C 260 ? 0.6265 0.6218 0.5604 -0.0168 -0.0020 -0.0197 327 ARG C CZ 7902 N NH1 . ARG C 260 ? 0.5736 0.5671 0.5061 -0.0165 -0.0025 -0.0195 327 ARG C NH1 7903 N NH2 . ARG C 260 ? 0.5870 0.5855 0.5249 -0.0148 -0.0023 -0.0194 327 ARG C NH2 7904 N N . ASN C 261 ? 0.6102 0.5908 0.5253 -0.0244 -0.0019 -0.0200 328 ASN C N 7905 C CA . ASN C 261 ? 0.6095 0.5842 0.5179 -0.0264 -0.0020 -0.0201 328 ASN C CA 7906 C C . ASN C 261 ? 0.6243 0.5998 0.5335 -0.0266 -0.0018 -0.0203 328 ASN C C 7907 O O . ASN C 261 ? 0.6275 0.6084 0.5423 -0.0259 -0.0012 -0.0205 328 ASN C O 7908 C CB . ASN C 261 ? 0.6240 0.5983 0.5298 -0.0301 -0.0012 -0.0206 328 ASN C CB 7909 C CG . ASN C 261 ? 0.6288 0.6008 0.5321 -0.0306 -0.0015 -0.0204 328 ASN C CG 7910 O OD1 . ASN C 261 ? 0.6268 0.5961 0.5288 -0.0282 -0.0024 -0.0199 328 ASN C OD1 7911 N ND2 . ASN C 261 ? 0.6667 0.6400 0.5693 -0.0338 -0.0008 -0.0209 328 ASN C ND2 7912 N N . ASP C 262 ? 0.6307 0.6005 0.5341 -0.0275 -0.0022 -0.0201 329 ASP C N 7913 C CA . ASP C 262 ? 0.7069 0.6764 0.6096 -0.0285 -0.0020 -0.0203 329 ASP C CA 7914 C C . ASP C 262 ? 0.6862 0.6596 0.5907 -0.0317 -0.0003 -0.0213 329 ASP C C 7915 O O . ASP C 262 ? 0.6345 0.6097 0.5396 -0.0336 0.0004 -0.0217 329 ASP C O 7916 C CB . ASP C 262 ? 0.7270 0.6888 0.6221 -0.0293 -0.0029 -0.0200 329 ASP C CB 7917 C CG . ASP C 262 ? 0.8359 0.7939 0.7253 -0.0330 -0.0023 -0.0204 329 ASP C CG 7918 O OD1 . ASP C 262 ? 0.9229 0.8810 0.8107 -0.0360 -0.0012 -0.0210 329 ASP C OD1 7919 O OD2 . ASP C 262 ? 1.0404 0.9954 0.9269 -0.0329 -0.0028 -0.0201 329 ASP C OD2 7920 N N . ASP C 263 ? 0.6746 0.6491 0.5800 -0.0323 0.0001 -0.0216 330 ASP C N 7921 C CA . ASP C 263 ? 0.7626 0.7418 0.6711 -0.0348 0.0019 -0.0226 330 ASP C CA 7922 C C . ASP C 263 ? 0.7109 0.6883 0.6153 -0.0388 0.0030 -0.0232 330 ASP C C 7923 O O . ASP C 263 ? 0.7622 0.7446 0.6700 -0.0407 0.0045 -0.0241 330 ASP C O 7924 C CB . ASP C 263 ? 0.7559 0.7354 0.6650 -0.0345 0.0022 -0.0227 330 ASP C CB 7925 C CG . ASP C 263 ? 0.8279 0.8116 0.7430 -0.0311 0.0017 -0.0224 330 ASP C CG 7926 O OD1 . ASP C 263 ? 0.8303 0.8177 0.7498 -0.0293 0.0014 -0.0222 330 ASP C OD1 7927 O OD2 . ASP C 263 ? 0.8769 0.8602 0.7921 -0.0305 0.0015 -0.0223 330 ASP C OD2 7928 N N . SER C 264 ? 0.6987 0.6692 0.5958 -0.0401 0.0023 -0.0229 331 SER C N 7929 C CA . SER C 264 ? 0.7902 0.7592 0.6833 -0.0442 0.0034 -0.0235 331 SER C CA 7930 C C . SER C 264 ? 0.7558 0.7259 0.6493 -0.0450 0.0033 -0.0235 331 SER C C 7931 O O . SER C 264 ? 0.8077 0.7793 0.7005 -0.0483 0.0045 -0.0242 331 SER C O 7932 C CB . SER C 264 ? 0.7925 0.7535 0.6770 -0.0462 0.0029 -0.0233 331 SER C CB 7933 O OG . SER C 264 ? 0.8659 0.8214 0.7469 -0.0435 0.0009 -0.0223 331 SER C OG 7934 N N . SER C 265 ? 0.7275 0.6971 0.6222 -0.0421 0.0021 -0.0228 332 SER C N 7935 C CA . SER C 265 ? 0.7514 0.7216 0.6461 -0.0429 0.0020 -0.0228 332 SER C CA 7936 C C . SER C 265 ? 0.7308 0.7081 0.6332 -0.0410 0.0021 -0.0228 332 SER C C 7937 O O . SER C 265 ? 0.7525 0.7302 0.6550 -0.0412 0.0018 -0.0226 332 SER C O 7938 C CB . SER C 265 ? 0.7790 0.7418 0.6674 -0.0418 0.0005 -0.0219 332 SER C CB 7939 O OG . SER C 265 ? 0.9080 0.8702 0.7982 -0.0377 -0.0005 -0.0213 332 SER C OG 7940 N N . SER C 266 ? 0.7097 0.6921 0.6181 -0.0391 0.0025 -0.0230 333 SER C N 7941 C CA . SER C 266 ? 0.6937 0.6822 0.6090 -0.0371 0.0025 -0.0230 333 SER C CA 7942 C C . SER C 266 ? 0.6309 0.6253 0.5502 -0.0396 0.0038 -0.0239 333 SER C C 7943 O O . SER C 266 ? 0.6322 0.6270 0.5503 -0.0422 0.0049 -0.0246 333 SER C O 7944 C CB . SER C 266 ? 0.6636 0.6547 0.5834 -0.0339 0.0022 -0.0227 333 SER C CB 7945 O OG . SER C 266 ? 0.6386 0.6313 0.5595 -0.0349 0.0032 -0.0233 333 SER C OG 7946 N N . SER C 267 ? 0.5701 0.5692 0.4943 -0.0388 0.0036 -0.0239 334 SER C N 7947 C CA . SER C 267 ? 0.5861 0.5914 0.5148 -0.0408 0.0046 -0.0247 334 SER C CA 7948 C C . SER C 267 ? 0.5941 0.6053 0.5296 -0.0388 0.0042 -0.0247 334 SER C C 7949 O O . SER C 267 ? 0.5977 0.6079 0.5339 -0.0363 0.0031 -0.0239 334 SER C O 7950 C CB . SER C 267 ? 0.5962 0.5997 0.5209 -0.0444 0.0049 -0.0250 334 SER C CB 7951 O OG . SER C 267 ? 0.5987 0.6006 0.5223 -0.0437 0.0037 -0.0243 334 SER C OG 7952 N N . SER C 268 ? 0.6031 0.6204 0.5436 -0.0400 0.0052 -0.0255 335 SER C N 7953 C CA . SER C 268 ? 0.5771 0.6002 0.5240 -0.0387 0.0047 -0.0256 335 SER C CA 7954 C C . SER C 268 ? 0.5863 0.6145 0.5361 -0.0415 0.0056 -0.0265 335 SER C C 7955 O O . SER C 268 ? 0.6559 0.6855 0.6059 -0.0433 0.0071 -0.0274 335 SER C O 7956 C CB . SER C 268 ? 0.5544 0.5808 0.5064 -0.0356 0.0047 -0.0256 335 SER C CB 7957 O OG . SER C 268 ? 0.5592 0.5905 0.5168 -0.0342 0.0041 -0.0255 335 SER C OG 7958 N N . ASN C 269 ? 0.6241 0.6552 0.5765 -0.0418 0.0048 -0.0263 336 ASN C N 7959 C CA . ASN C 269 ? 0.6709 0.7080 0.6273 -0.0441 0.0055 -0.0272 336 ASN C CA 7960 C C . ASN C 269 ? 0.6607 0.7046 0.6249 -0.0420 0.0052 -0.0275 336 ASN C C 7961 O O . ASN C 269 ? 0.7195 0.7684 0.6874 -0.0434 0.0052 -0.0281 336 ASN C O 7962 C CB . ASN C 269 ? 0.6699 0.7057 0.6233 -0.0467 0.0047 -0.0269 336 ASN C CB 7963 C CG . ASN C 269 ? 0.6752 0.7112 0.6301 -0.0449 0.0030 -0.0261 336 ASN C CG 7964 O OD1 . ASN C 269 ? 0.7068 0.7439 0.6648 -0.0417 0.0024 -0.0257 336 ASN C OD1 7965 N ND2 . ASN C 269 ? 0.7827 0.8177 0.7352 -0.0471 0.0023 -0.0258 336 ASN C ND2 7966 N N . CYS C 270 ? 0.6091 0.6530 0.5757 -0.0387 0.0048 -0.0272 337 CYS C N 7967 C CA . CYS C 270 ? 0.6719 0.7216 0.6455 -0.0363 0.0044 -0.0274 337 CYS C CA 7968 C C . CYS C 270 ? 0.6483 0.6995 0.6240 -0.0353 0.0027 -0.0267 337 CYS C C 7969 O O . CYS C 270 ? 0.7202 0.7745 0.7006 -0.0329 0.0020 -0.0266 337 CYS C O 7970 C CB . CYS C 270 ? 0.6625 0.7184 0.6413 -0.0373 0.0058 -0.0287 337 CYS C CB 7971 S SG . CYS C 270 ? 0.9979 1.0523 0.9742 -0.0388 0.0081 -0.0297 337 CYS C SG 7972 N N . ARG C 271 ? 0.6938 0.7423 0.6657 -0.0372 0.0019 -0.0262 338 ARG C N 7973 C CA . ARG C 271 ? 0.7711 0.8216 0.7452 -0.0369 0.0003 -0.0257 338 ARG C CA 7974 C C . ARG C 271 ? 0.7221 0.7671 0.6916 -0.0359 -0.0008 -0.0245 338 ARG C C 7975 O O . ARG C 271 ? 0.6901 0.7360 0.6617 -0.0341 -0.0021 -0.0239 338 ARG C O 7976 C CB . ARG C 271 ? 0.8440 0.8976 0.8187 -0.0403 0.0004 -0.0262 338 ARG C CB 7977 C CG . ARG C 271 ? 0.9839 1.0417 0.9629 -0.0400 -0.0011 -0.0260 338 ARG C CG 7978 C CD . ARG C 271 ? 1.0887 1.1503 1.0690 -0.0433 -0.0012 -0.0265 338 ARG C CD 7979 N NE . ARG C 271 ? 1.2129 1.2706 1.1871 -0.0467 -0.0006 -0.0265 338 ARG C NE 7980 C CZ . ARG C 271 ? 1.1791 1.2322 1.1482 -0.0480 -0.0017 -0.0256 338 ARG C CZ 7981 N NH1 . ARG C 271 ? 1.2464 1.2981 1.2154 -0.0463 -0.0034 -0.0247 338 ARG C NH1 7982 N NH2 . ARG C 271 ? 1.0293 1.0790 0.9929 -0.0513 -0.0010 -0.0258 338 ARG C NH2 7983 N N . ASP C 272 ? 0.6103 0.6495 0.5736 -0.0369 -0.0004 -0.0242 339 ASP C N 7984 C CA . ASP C 272 ? 0.5959 0.6296 0.5543 -0.0364 -0.0014 -0.0233 339 ASP C CA 7985 C C . ASP C 272 ? 0.6187 0.6472 0.5733 -0.0345 -0.0011 -0.0229 339 ASP C C 7986 O O . ASP C 272 ? 0.5785 0.6064 0.5324 -0.0346 0.0000 -0.0233 339 ASP C O 7987 C CB . ASP C 272 ? 0.6064 0.6372 0.5598 -0.0397 -0.0016 -0.0233 339 ASP C CB 7988 C CG . ASP C 272 ? 0.6805 0.7167 0.6374 -0.0421 -0.0019 -0.0237 339 ASP C CG 7989 O OD1 . ASP C 272 ? 0.7206 0.7606 0.6819 -0.0411 -0.0030 -0.0235 339 ASP C OD1 7990 O OD2 . ASP C 272 ? 0.7531 0.7898 0.7085 -0.0452 -0.0010 -0.0243 339 ASP C OD2 7991 N N . PRO C 273 ? 0.5961 0.6209 0.5481 -0.0329 -0.0019 -0.0221 340 PRO C N 7992 C CA . PRO C 273 ? 0.5695 0.5891 0.5175 -0.0312 -0.0017 -0.0217 340 PRO C CA 7993 C C . PRO C 273 ? 0.5829 0.5982 0.5252 -0.0337 -0.0011 -0.0219 340 PRO C C 7994 O O . PRO C 273 ? 0.6020 0.6164 0.5419 -0.0362 -0.0013 -0.0220 340 PRO C O 7995 C CB . PRO C 273 ? 0.5882 0.6048 0.5343 -0.0296 -0.0026 -0.0209 340 PRO C CB 7996 C CG . PRO C 273 ? 0.5715 0.5902 0.5187 -0.0312 -0.0034 -0.0209 340 PRO C CG 7997 C CD . PRO C 273 ? 0.5378 0.5626 0.4901 -0.0326 -0.0032 -0.0215 340 PRO C CD 7998 N N . ASN C 274 ? 0.5964 0.6087 0.5363 -0.0330 -0.0005 -0.0220 341 ASN C N 7999 C CA . ASN C 274 ? 0.5794 0.5873 0.5137 -0.0354 0.0000 -0.0222 341 ASN C CA 8000 C C . ASN C 274 ? 0.5840 0.5850 0.5115 -0.0355 -0.0006 -0.0216 341 ASN C C 8001 O O . ASN C 274 ? 0.5608 0.5576 0.4831 -0.0376 -0.0003 -0.0218 341 ASN C O 8002 C CB . ASN C 274 ? 0.5740 0.5815 0.5083 -0.0348 0.0007 -0.0225 341 ASN C CB 8003 C CG . ASN C 274 ? 0.5897 0.5947 0.5237 -0.0314 0.0002 -0.0219 341 ASN C CG 8004 O OD1 . ASN C 274 ? 0.5811 0.5841 0.5142 -0.0295 -0.0005 -0.0213 341 ASN C OD1 8005 N ND2 . ASN C 274 ? 0.5538 0.5590 0.4884 -0.0308 0.0008 -0.0222 341 ASN C ND2 8006 N N . ASN C 275 ? 0.5980 0.5975 0.5254 -0.0332 -0.0014 -0.0210 342 ASN C N 8007 C CA . ASN C 275 ? 0.6114 0.6041 0.5325 -0.0328 -0.0019 -0.0205 342 ASN C CA 8008 C C . ASN C 275 ? 0.6123 0.5996 0.5288 -0.0318 -0.0018 -0.0204 342 ASN C C 8009 O O . ASN C 275 ? 0.6237 0.6049 0.5339 -0.0326 -0.0021 -0.0202 342 ASN C O 8010 C CB . ASN C 275 ? 0.6729 0.6633 0.5899 -0.0359 -0.0021 -0.0206 342 ASN C CB 8011 C CG . ASN C 275 ? 0.8558 0.8501 0.7763 -0.0361 -0.0027 -0.0204 342 ASN C CG 8012 O OD1 . ASN C 275 ? 0.9110 0.9044 0.8319 -0.0339 -0.0032 -0.0200 342 ASN C OD1 8013 N ND2 . ASN C 275 ? 0.7899 0.7885 0.7129 -0.0389 -0.0026 -0.0209 342 ASN C ND2 8014 N N . GLU C 276 ? 0.6305 0.6197 0.5499 -0.0301 -0.0015 -0.0205 343 GLU C N 8015 C CA . GLU C 276 ? 0.6025 0.5871 0.5181 -0.0291 -0.0016 -0.0203 343 GLU C CA 8016 C C . GLU C 276 ? 0.6450 0.6304 0.5635 -0.0253 -0.0020 -0.0199 343 GLU C C 8017 O O . GLU C 276 ? 0.6502 0.6402 0.5739 -0.0240 -0.0018 -0.0200 343 GLU C O 8018 C CB . GLU C 276 ? 0.6147 0.6009 0.5310 -0.0308 -0.0009 -0.0208 343 GLU C CB 8019 C CG . GLU C 276 ? 0.6896 0.6758 0.6036 -0.0348 -0.0002 -0.0214 343 GLU C CG 8020 C CD . GLU C 276 ? 0.7175 0.7074 0.6341 -0.0365 0.0008 -0.0221 343 GLU C CD 8021 O OE1 . GLU C 276 ? 0.7030 0.6948 0.6226 -0.0347 0.0010 -0.0221 343 GLU C OE1 8022 O OE2 . GLU C 276 ? 0.8024 0.7934 0.7180 -0.0398 0.0015 -0.0227 343 GLU C OE2 8023 N N . ARG C 277 ? 0.5816 0.5624 0.4966 -0.0236 -0.0026 -0.0194 344 ARG C N 8024 C CA . ARG C 277 ? 0.5916 0.5725 0.5086 -0.0200 -0.0030 -0.0190 344 ARG C CA 8025 C C . ARG C 277 ? 0.6004 0.5876 0.5242 -0.0186 -0.0028 -0.0190 344 ARG C C 8026 O O . ARG C 277 ? 0.6732 0.6632 0.6007 -0.0169 -0.0028 -0.0189 344 ARG C O 8027 C CB . ARG C 277 ? 0.6112 0.5902 0.5270 -0.0190 -0.0032 -0.0189 344 ARG C CB 8028 C CG . ARG C 277 ? 0.6113 0.5834 0.5200 -0.0202 -0.0035 -0.0189 344 ARG C CG 8029 C CD . ARG C 277 ? 0.6455 0.6153 0.5528 -0.0190 -0.0040 -0.0187 344 ARG C CD 8030 N NE . ARG C 277 ? 0.6552 0.6234 0.5628 -0.0154 -0.0047 -0.0182 344 ARG C NE 8031 C CZ . ARG C 277 ? 0.6591 0.6268 0.5673 -0.0135 -0.0054 -0.0180 344 ARG C CZ 8032 N NH1 . ARG C 277 ? 0.6466 0.6151 0.5552 -0.0147 -0.0053 -0.0181 344 ARG C NH1 8033 N NH2 . ARG C 277 ? 0.6266 0.5933 0.5354 -0.0103 -0.0060 -0.0176 344 ARG C NH2 8034 N N . GLY C 278 ? 0.5478 0.5368 0.4728 -0.0196 -0.0028 -0.0190 345 GLY C N 8035 C CA . GLY C 278 ? 0.5727 0.5675 0.5036 -0.0189 -0.0027 -0.0191 345 GLY C CA 8036 C C . GLY C 278 ? 0.5907 0.5864 0.5240 -0.0159 -0.0029 -0.0187 345 GLY C C 8037 O O . GLY C 278 ? 0.5658 0.5662 0.5042 -0.0150 -0.0029 -0.0187 345 GLY C O 8038 N N . ASN C 279 ? 0.6041 0.5956 0.5341 -0.0142 -0.0031 -0.0184 346 ASN C N 8039 C CA . ASN C 279 ? 0.5782 0.5709 0.5106 -0.0115 -0.0031 -0.0181 346 ASN C CA 8040 C C . ASN C 279 ? 0.5737 0.5647 0.5056 -0.0091 -0.0032 -0.0180 346 ASN C C 8041 O O . ASN C 279 ? 0.5996 0.5867 0.5277 -0.0093 -0.0034 -0.0180 346 ASN C O 8042 C CB . ASN C 279 ? 0.6705 0.6608 0.6004 -0.0114 -0.0031 -0.0180 346 ASN C CB 8043 C CG . ASN C 279 ? 0.6729 0.6573 0.5975 -0.0103 -0.0031 -0.0180 346 ASN C CG 8044 O OD1 . ASN C 279 ? 0.7961 0.7793 0.7204 -0.0080 -0.0030 -0.0178 346 ASN C OD1 8045 N ND2 . ASN C 279 ? 0.6481 0.6285 0.5681 -0.0119 -0.0033 -0.0181 346 ASN C ND2 8046 N N . PRO C 280 ? 0.5618 0.5560 0.4978 -0.0070 -0.0032 -0.0178 347 PRO C N 8047 C CA . PRO C 280 ? 0.5226 0.5215 0.4633 -0.0066 -0.0030 -0.0177 347 PRO C CA 8048 C C . PRO C 280 ? 0.6068 0.6104 0.5519 -0.0075 -0.0030 -0.0179 347 PRO C C 8049 O O . PRO C 280 ? 0.5448 0.5519 0.4935 -0.0073 -0.0030 -0.0178 347 PRO C O 8050 C CB . PRO C 280 ? 0.5288 0.5281 0.4710 -0.0039 -0.0030 -0.0175 347 PRO C CB 8051 C CG . PRO C 280 ? 0.5291 0.5266 0.4701 -0.0030 -0.0033 -0.0175 347 PRO C CG 8052 C CD . PRO C 280 ? 0.5077 0.5007 0.4436 -0.0046 -0.0034 -0.0176 347 PRO C CD 8053 N N . GLY C 281 ? 0.5219 0.5252 0.4667 -0.0080 -0.0030 -0.0180 348 GLY C N 8054 C CA . GLY C 281 ? 0.5206 0.5280 0.4694 -0.0085 -0.0029 -0.0182 348 GLY C CA 8055 C C . GLY C 281 ? 0.5092 0.5191 0.4614 -0.0064 -0.0030 -0.0180 348 GLY C C 8056 O O . GLY C 281 ? 0.5189 0.5279 0.4710 -0.0046 -0.0032 -0.0176 348 GLY C O 8057 N N . VAL C 282 ? 0.4766 0.4899 0.4322 -0.0069 -0.0029 -0.0181 349 VAL C N 8058 C CA . VAL C 282 ? 0.4997 0.5155 0.4585 -0.0053 -0.0030 -0.0179 349 VAL C CA 8059 C C . VAL C 282 ? 0.4947 0.5144 0.4573 -0.0060 -0.0028 -0.0182 349 VAL C C 8060 O O . VAL C 282 ? 0.5546 0.5750 0.5173 -0.0076 -0.0025 -0.0187 349 VAL C O 8061 C CB . VAL C 282 ? 0.4752 0.4892 0.4327 -0.0046 -0.0033 -0.0178 349 VAL C CB 8062 C CG1 . VAL C 282 ? 0.5063 0.5204 0.4633 -0.0064 -0.0030 -0.0182 349 VAL C CG1 8063 C CG2 . VAL C 282 ? 0.4507 0.4670 0.4112 -0.0029 -0.0035 -0.0175 349 VAL C CG2 8064 N N . LYS C 283 ? 0.4876 0.5099 0.4535 -0.0048 -0.0030 -0.0180 350 LYS C N 8065 C CA . LYS C 283 ? 0.3906 0.4162 0.3599 -0.0052 -0.0029 -0.0183 350 LYS C CA 8066 C C . LYS C 283 ? 0.4305 0.4565 0.4000 -0.0058 -0.0026 -0.0186 350 LYS C C 8067 O O . LYS C 283 ? 0.4463 0.4708 0.4147 -0.0052 -0.0027 -0.0184 350 LYS C O 8068 C CB . LYS C 283 ? 0.3982 0.4258 0.3702 -0.0039 -0.0031 -0.0179 350 LYS C CB 8069 C CG . LYS C 283 ? 0.4208 0.4516 0.3961 -0.0041 -0.0031 -0.0182 350 LYS C CG 8070 C CD . LYS C 283 ? 0.4400 0.4722 0.4174 -0.0029 -0.0034 -0.0178 350 LYS C CD 8071 C CE . LYS C 283 ? 0.4611 0.4957 0.4414 -0.0030 -0.0035 -0.0181 350 LYS C CE 8072 N NZ . LYS C 283 ? 0.5270 0.5630 0.5086 -0.0036 -0.0037 -0.0184 350 LYS C NZ 8073 N N . GLY C 284 ? 0.4771 0.5047 0.4479 -0.0071 -0.0021 -0.0192 351 GLY C N 8074 C CA . GLY C 284 ? 0.4190 0.4471 0.3901 -0.0078 -0.0016 -0.0197 351 GLY C CA 8075 C C . GLY C 284 ? 0.4576 0.4889 0.4318 -0.0085 -0.0012 -0.0203 351 GLY C C 8076 O O . GLY C 284 ? 0.5248 0.5582 0.5014 -0.0080 -0.0015 -0.0202 351 GLY C O 8077 N N . TRP C 285 ? 0.4342 0.4659 0.4084 -0.0095 -0.0005 -0.0209 352 TRP C N 8078 C CA . TRP C 285 ? 0.4225 0.4574 0.3999 -0.0099 0.0000 -0.0216 352 TRP C CA 8079 C C . TRP C 285 ? 0.4352 0.4702 0.4116 -0.0117 0.0011 -0.0225 352 TRP C C 8080 O O . TRP C 285 ? 0.4280 0.4600 0.4009 -0.0127 0.0014 -0.0225 352 TRP C O 8081 C CB . TRP C 285 ? 0.4076 0.4435 0.3871 -0.0085 0.0000 -0.0215 352 TRP C CB 8082 C CG . TRP C 285 ? 0.4735 0.5073 0.4508 -0.0087 0.0001 -0.0215 352 TRP C CG 8083 C CD1 . TRP C 285 ? 0.4603 0.4918 0.4357 -0.0079 -0.0004 -0.0207 352 TRP C CD1 8084 C CD2 . TRP C 285 ? 0.4750 0.5086 0.4517 -0.0098 0.0011 -0.0222 352 TRP C CD2 8085 N NE1 . TRP C 285 ? 0.4829 0.5127 0.4564 -0.0084 -0.0001 -0.0209 352 TRP C NE1 8086 C CE2 . TRP C 285 ? 0.4655 0.4964 0.4396 -0.0097 0.0008 -0.0218 352 TRP C CE2 8087 C CE3 . TRP C 285 ? 0.4796 0.5152 0.4578 -0.0108 0.0022 -0.0232 352 TRP C CE3 8088 C CZ2 . TRP C 285 ? 0.4974 0.5270 0.4698 -0.0107 0.0016 -0.0223 352 TRP C CZ2 8089 C CZ3 . TRP C 285 ? 0.4456 0.4800 0.4222 -0.0119 0.0032 -0.0238 352 TRP C CZ3 8090 C CH2 . TRP C 285 ? 0.4776 0.5089 0.4512 -0.0119 0.0028 -0.0233 352 TRP C CH2 8091 N N . ALA C 286 ? 0.4556 0.4938 0.4351 -0.0121 0.0017 -0.0232 353 ALA C N 8092 C CA . ALA C 286 ? 0.4126 0.4518 0.3922 -0.0137 0.0030 -0.0242 353 ALA C CA 8093 C C . ALA C 286 ? 0.4572 0.5006 0.4414 -0.0131 0.0034 -0.0250 353 ALA C C 8094 O O . ALA C 286 ? 0.4449 0.4901 0.4318 -0.0118 0.0025 -0.0246 353 ALA C O 8095 C CB . ALA C 286 ? 0.4200 0.4587 0.3976 -0.0157 0.0034 -0.0245 353 ALA C CB 8096 N N . PHE C 287 ? 0.4874 0.5320 0.4724 -0.0140 0.0047 -0.0260 354 PHE C N 8097 C CA . PHE C 287 ? 0.4363 0.4849 0.4256 -0.0135 0.0052 -0.0268 354 PHE C CA 8098 C C . PHE C 287 ? 0.4900 0.5403 0.4797 -0.0153 0.0070 -0.0281 354 PHE C C 8099 O O . PHE C 287 ? 0.4777 0.5255 0.4640 -0.0168 0.0079 -0.0284 354 PHE C O 8100 C CB . PHE C 287 ? 0.4997 0.5487 0.4912 -0.0113 0.0049 -0.0267 354 PHE C CB 8101 C CG . PHE C 287 ? 0.4693 0.5161 0.4587 -0.0115 0.0058 -0.0270 354 PHE C CG 8102 C CD1 . PHE C 287 ? 0.4430 0.4863 0.4292 -0.0112 0.0052 -0.0262 354 PHE C CD1 8103 C CD2 . PHE C 287 ? 0.4818 0.5303 0.4727 -0.0119 0.0073 -0.0283 354 PHE C CD2 8104 C CE1 . PHE C 287 ? 0.4917 0.5329 0.4759 -0.0115 0.0058 -0.0264 354 PHE C CE1 8105 C CE2 . PHE C 287 ? 0.5299 0.5762 0.5188 -0.0121 0.0081 -0.0285 354 PHE C CE2 8106 C CZ . PHE C 287 ? 0.4907 0.5332 0.4760 -0.0120 0.0073 -0.0276 354 PHE C CZ 8107 N N . ASP C 288 ? 0.4881 0.5428 0.4822 -0.0150 0.0074 -0.0289 355 ASP C N 8108 C CA . ASP C 288 ? 0.5520 0.6093 0.5474 -0.0167 0.0091 -0.0303 355 ASP C CA 8109 C C . ASP C 288 ? 0.5446 0.6028 0.5416 -0.0160 0.0104 -0.0313 355 ASP C C 8110 O O . ASP C 288 ? 0.5007 0.5593 0.4997 -0.0138 0.0099 -0.0311 355 ASP C O 8111 C CB . ASP C 288 ? 0.5506 0.6127 0.5504 -0.0167 0.0087 -0.0307 355 ASP C CB 8112 C CG . ASP C 288 ? 0.5449 0.6097 0.5493 -0.0142 0.0078 -0.0307 355 ASP C CG 8113 O OD1 . ASP C 288 ? 0.5632 0.6265 0.5674 -0.0125 0.0061 -0.0296 355 ASP C OD1 8114 O OD2 . ASP C 288 ? 0.5912 0.6597 0.5994 -0.0138 0.0088 -0.0319 355 ASP C OD2 8115 N N . ASN C 289 ? 0.5442 0.6023 0.5396 -0.0179 0.0123 -0.0323 356 ASN C N 8116 C CA . ASN C 289 ? 0.5211 0.5809 0.5184 -0.0177 0.0140 -0.0336 356 ASN C CA 8117 C C . ASN C 289 ? 0.5481 0.6111 0.5466 -0.0199 0.0159 -0.0350 356 ASN C C 8118 O O . ASN C 289 ? 0.5242 0.5850 0.5188 -0.0224 0.0171 -0.0354 356 ASN C O 8119 C CB . ASN C 289 ? 0.5570 0.6124 0.5501 -0.0179 0.0146 -0.0335 356 ASN C CB 8120 C CG . ASN C 289 ? 0.6356 0.6923 0.6306 -0.0172 0.0163 -0.0348 356 ASN C CG 8121 O OD1 . ASN C 289 ? 0.6227 0.6781 0.6153 -0.0189 0.0180 -0.0357 356 ASN C OD1 8122 N ND2 . ASN C 289 ? 0.5882 0.6477 0.5876 -0.0148 0.0158 -0.0350 356 ASN C ND2 8123 N N . GLY C 290 ? 0.5265 0.5948 0.5305 -0.0191 0.0160 -0.0358 357 GLY C N 8124 C CA . GLY C 290 ? 0.5387 0.6111 0.5447 -0.0212 0.0175 -0.0370 357 GLY C CA 8125 C C . GLY C 290 ? 0.5829 0.6539 0.5857 -0.0238 0.0170 -0.0363 357 GLY C C 8126 O O . GLY C 290 ? 0.5762 0.6471 0.5794 -0.0232 0.0151 -0.0353 357 GLY C O 8127 N N . ASN C 291 ? 0.5871 0.6567 0.5864 -0.0266 0.0187 -0.0370 358 ASN C N 8128 C CA . ASN C 291 ? 0.6098 0.6772 0.6051 -0.0293 0.0183 -0.0365 358 ASN C CA 8129 C C . ASN C 291 ? 0.5713 0.6321 0.5604 -0.0295 0.0172 -0.0351 358 ASN C C 8130 O O . ASN C 291 ? 0.5548 0.6130 0.5403 -0.0312 0.0164 -0.0344 358 ASN C O 8131 C CB . ASN C 291 ? 0.6103 0.6792 0.6045 -0.0327 0.0207 -0.0379 358 ASN C CB 8132 C CG . ASN C 291 ? 0.6313 0.7075 0.6318 -0.0330 0.0218 -0.0392 358 ASN C CG 8133 O OD1 . ASN C 291 ? 0.7302 0.8097 0.7342 -0.0323 0.0203 -0.0388 358 ASN C OD1 8134 N ND2 . ASN C 291 ? 0.6615 0.7402 0.6636 -0.0339 0.0242 -0.0408 358 ASN C ND2 8135 N N . ASP C 292 ? 0.4685 0.5265 0.4564 -0.0277 0.0170 -0.0347 359 ASP C N 8136 C CA . ASP C 292 ? 0.5137 0.5656 0.4960 -0.0277 0.0160 -0.0335 359 ASP C CA 8137 C C . ASP C 292 ? 0.5151 0.5658 0.4981 -0.0252 0.0137 -0.0321 359 ASP C C 8138 O O . ASP C 292 ? 0.4827 0.5369 0.4704 -0.0231 0.0129 -0.0320 359 ASP C O 8139 C CB . ASP C 292 ? 0.5611 0.6105 0.5415 -0.0274 0.0170 -0.0339 359 ASP C CB 8140 C CG . ASP C 292 ? 0.6127 0.6625 0.5915 -0.0301 0.0195 -0.0354 359 ASP C CG 8141 O OD1 . ASP C 292 ? 0.6980 0.7496 0.6766 -0.0325 0.0204 -0.0360 359 ASP C OD1 8142 O OD2 . ASP C 292 ? 0.7360 0.7836 0.7129 -0.0301 0.0205 -0.0359 359 ASP C OD2 8143 N N . VAL C 293 ? 0.4841 0.5299 0.4623 -0.0254 0.0125 -0.0309 360 VAL C N 8144 C CA . VAL C 293 ? 0.5033 0.5476 0.4818 -0.0230 0.0106 -0.0296 360 VAL C CA 8145 C C . VAL C 293 ? 0.5044 0.5444 0.4794 -0.0223 0.0102 -0.0290 360 VAL C C 8146 O O . VAL C 293 ? 0.4853 0.5216 0.4556 -0.0240 0.0107 -0.0290 360 VAL C O 8147 C CB . VAL C 293 ? 0.5271 0.5686 0.5025 -0.0234 0.0092 -0.0285 360 VAL C CB 8148 C CG1 . VAL C 293 ? 0.4916 0.5352 0.4703 -0.0214 0.0077 -0.0278 360 VAL C CG1 8149 C CG2 . VAL C 293 ? 0.5230 0.5632 0.4951 -0.0262 0.0098 -0.0288 360 VAL C CG2 8150 N N . TRP C 294 ? 0.4884 0.5284 0.4652 -0.0199 0.0091 -0.0283 361 TRP C N 8151 C CA . TRP C 294 ? 0.5474 0.5835 0.5211 -0.0189 0.0082 -0.0274 361 TRP C CA 8152 C C . TRP C 294 ? 0.5166 0.5514 0.4897 -0.0178 0.0065 -0.0261 361 TRP C C 8153 O O . TRP C 294 ? 0.4519 0.4894 0.4283 -0.0166 0.0058 -0.0259 361 TRP C O 8154 C CB . TRP C 294 ? 0.4919 0.5290 0.4680 -0.0171 0.0081 -0.0275 361 TRP C CB 8155 C CG . TRP C 294 ? 0.4939 0.5310 0.4696 -0.0181 0.0098 -0.0285 361 TRP C CG 8156 C CD1 . TRP C 294 ? 0.4709 0.5116 0.4501 -0.0180 0.0111 -0.0297 361 TRP C CD1 8157 C CD2 . TRP C 294 ? 0.4576 0.4909 0.4291 -0.0191 0.0102 -0.0285 361 TRP C CD2 8158 N NE1 . TRP C 294 ? 0.4936 0.5328 0.4709 -0.0190 0.0125 -0.0305 361 TRP C NE1 8159 C CE2 . TRP C 294 ? 0.4618 0.4965 0.4343 -0.0198 0.0120 -0.0298 361 TRP C CE2 8160 C CE3 . TRP C 294 ? 0.4843 0.5132 0.4513 -0.0195 0.0092 -0.0276 361 TRP C CE3 8161 C CZ2 . TRP C 294 ? 0.4631 0.4945 0.4318 -0.0211 0.0128 -0.0301 361 TRP C CZ2 8162 C CZ3 . TRP C 294 ? 0.4840 0.5097 0.4473 -0.0208 0.0098 -0.0279 361 TRP C CZ3 8163 C CH2 . TRP C 294 ? 0.4919 0.5189 0.4560 -0.0216 0.0117 -0.0291 361 TRP C CH2 8164 N N . MET C 295 ? 0.4838 0.5145 0.4527 -0.0179 0.0057 -0.0254 362 MET C N 8165 C CA . MET C 295 ? 0.4926 0.5219 0.4607 -0.0168 0.0042 -0.0243 362 MET C CA 8166 C C . MET C 295 ? 0.4941 0.5195 0.4589 -0.0160 0.0033 -0.0235 362 MET C C 8167 O O . MET C 295 ? 0.4949 0.5179 0.4569 -0.0169 0.0037 -0.0236 362 MET C O 8168 C CB . MET C 295 ? 0.5292 0.5577 0.4954 -0.0183 0.0043 -0.0243 362 MET C CB 8169 C CG . MET C 295 ? 0.5559 0.5816 0.5178 -0.0207 0.0052 -0.0248 362 MET C CG 8170 S SD . MET C 295 ? 0.6219 0.6464 0.5811 -0.0228 0.0051 -0.0249 362 MET C SD 8171 C CE . MET C 295 ? 0.6317 0.6512 0.5869 -0.0213 0.0035 -0.0236 362 MET C CE 8172 N N . GLY C 296 ? 0.4899 0.5148 0.4551 -0.0143 0.0021 -0.0226 363 GLY C N 8173 C CA . GLY C 296 ? 0.4451 0.4666 0.4074 -0.0134 0.0010 -0.0217 363 GLY C CA 8174 C C . GLY C 296 ? 0.4344 0.4536 0.3941 -0.0134 0.0004 -0.0212 363 GLY C C 8175 O O . GLY C 296 ? 0.4808 0.5013 0.4414 -0.0138 0.0006 -0.0214 363 GLY C O 8176 N N . ARG C 297 ? 0.4514 0.4669 0.4077 -0.0129 -0.0004 -0.0206 364 ARG C N 8177 C CA . ARG C 297 ? 0.4580 0.4709 0.4118 -0.0124 -0.0011 -0.0201 364 ARG C CA 8178 C C . ARG C 297 ? 0.4850 0.4944 0.4360 -0.0113 -0.0022 -0.0194 364 ARG C C 8179 O O . ARG C 297 ? 0.4884 0.4970 0.4387 -0.0113 -0.0024 -0.0193 364 ARG C O 8180 C CB . ARG C 297 ? 0.5162 0.5270 0.4667 -0.0145 -0.0006 -0.0205 364 ARG C CB 8181 C CG . ARG C 297 ? 0.5221 0.5294 0.4684 -0.0163 -0.0003 -0.0207 364 ARG C CG 8182 C CD . ARG C 297 ? 0.5878 0.5938 0.5313 -0.0188 0.0004 -0.0213 364 ARG C CD 8183 N NE . ARG C 297 ? 0.6248 0.6265 0.5633 -0.0205 0.0005 -0.0214 364 ARG C NE 8184 C CZ . ARG C 297 ? 0.5804 0.5797 0.5151 -0.0230 0.0011 -0.0218 364 ARG C CZ 8185 N NH1 . ARG C 297 ? 0.6171 0.6121 0.5470 -0.0245 0.0010 -0.0219 364 ARG C NH1 8186 N NH2 . ARG C 297 ? 0.6039 0.6050 0.5395 -0.0241 0.0016 -0.0222 364 ARG C NH2 8187 N N . THR C 298 ? 0.5294 0.5369 0.4789 -0.0101 -0.0029 -0.0189 365 THR C N 8188 C CA . THR C 298 ? 0.5328 0.5372 0.4799 -0.0087 -0.0041 -0.0182 365 THR C CA 8189 C C . THR C 298 ? 0.5450 0.5449 0.4870 -0.0104 -0.0042 -0.0184 365 THR C C 8190 O O . THR C 298 ? 0.5852 0.5842 0.5253 -0.0124 -0.0034 -0.0189 365 THR C O 8191 C CB . THR C 298 ? 0.5515 0.5546 0.4979 -0.0070 -0.0047 -0.0178 365 THR C CB 8192 O OG1 . THR C 298 ? 0.4838 0.4843 0.4269 -0.0083 -0.0043 -0.0180 365 THR C OG1 8193 C CG2 . THR C 298 ? 0.5494 0.5565 0.5003 -0.0055 -0.0045 -0.0176 365 THR C CG2 8194 N N . ILE C 299 ? 0.5604 0.5576 0.5002 -0.0097 -0.0053 -0.0179 366 ILE C N 8195 C CA . ILE C 299 ? 0.5327 0.5251 0.4672 -0.0113 -0.0055 -0.0180 366 ILE C CA 8196 C C . ILE C 299 ? 0.5254 0.5135 0.4556 -0.0112 -0.0060 -0.0177 366 ILE C C 8197 O O . ILE C 299 ? 0.5600 0.5452 0.4863 -0.0134 -0.0056 -0.0181 366 ILE C O 8198 C CB . ILE C 299 ? 0.5437 0.5342 0.4768 -0.0108 -0.0067 -0.0175 366 ILE C CB 8199 C CG1 . ILE C 299 ? 0.5501 0.5438 0.4859 -0.0118 -0.0058 -0.0179 366 ILE C CG1 8200 C CG2 . ILE C 299 ? 0.4939 0.4785 0.4206 -0.0123 -0.0073 -0.0174 366 ILE C CG2 8201 C CD1 . ILE C 299 ? 0.5519 0.5450 0.4877 -0.0109 -0.0070 -0.0174 366 ILE C CD1 8202 N N . SER C 300 ? 0.5440 0.5320 0.4752 -0.0088 -0.0069 -0.0172 367 SER C N 8203 C CA . SER C 300 ? 0.5167 0.5007 0.4441 -0.0084 -0.0073 -0.0171 367 SER C CA 8204 C C . SER C 300 ? 0.5618 0.5471 0.4896 -0.0099 -0.0061 -0.0176 367 SER C C 8205 O O . SER C 300 ? 0.6163 0.6064 0.5487 -0.0097 -0.0053 -0.0178 367 SER C O 8206 C CB . SER C 300 ? 0.5403 0.5241 0.4689 -0.0052 -0.0083 -0.0165 367 SER C CB 8207 O OG . SER C 300 ? 0.5631 0.5439 0.4889 -0.0047 -0.0083 -0.0165 367 SER C OG 8208 N N . GLU C 301 ? 0.6165 0.5975 0.5394 -0.0113 -0.0060 -0.0177 368 GLU C N 8209 C CA . GLU C 301 ? 0.6095 0.5910 0.5319 -0.0128 -0.0052 -0.0181 368 GLU C CA 8210 C C . GLU C 301 ? 0.6356 0.6164 0.5582 -0.0108 -0.0055 -0.0178 368 GLU C C 8211 O O . GLU C 301 ? 0.6345 0.6161 0.5573 -0.0117 -0.0049 -0.0180 368 GLU C O 8212 C CB . GLU C 301 ? 0.6684 0.6449 0.5847 -0.0155 -0.0050 -0.0183 368 GLU C CB 8213 C CG . GLU C 301 ? 0.8443 0.8219 0.7605 -0.0182 -0.0042 -0.0189 368 GLU C CG 8214 C CD . GLU C 301 ? 0.9766 0.9485 0.8867 -0.0195 -0.0048 -0.0188 368 GLU C CD 8215 O OE1 . GLU C 301 ? 1.2627 1.2295 1.1687 -0.0182 -0.0060 -0.0182 368 GLU C OE1 8216 O OE2 . GLU C 301 ? 1.2105 1.1828 1.1198 -0.0220 -0.0039 -0.0193 368 GLU C OE2 8217 N N . ASP C 302 ? 0.6125 0.5915 0.5347 -0.0081 -0.0066 -0.0173 369 ASP C N 8218 C CA . ASP C 302 ? 0.6807 0.6585 0.6026 -0.0059 -0.0068 -0.0171 369 ASP C CA 8219 C C . ASP C 302 ? 0.6361 0.6187 0.5636 -0.0036 -0.0067 -0.0169 369 ASP C C 8220 O O . ASP C 302 ? 0.6253 0.6089 0.5539 -0.0027 -0.0063 -0.0169 369 ASP C O 8221 C CB . ASP C 302 ? 0.6495 0.6215 0.5667 -0.0042 -0.0080 -0.0167 369 ASP C CB 8222 C CG . ASP C 302 ? 0.7467 0.7128 0.6573 -0.0066 -0.0083 -0.0168 369 ASP C CG 8223 O OD1 . ASP C 302 ? 0.7745 0.7395 0.6829 -0.0090 -0.0075 -0.0171 369 ASP C OD1 8224 O OD2 . ASP C 302 ? 0.8167 0.7792 0.7243 -0.0061 -0.0094 -0.0165 369 ASP C OD2 8225 N N . SER C 303 ? 0.7085 0.6937 0.6391 -0.0026 -0.0071 -0.0167 370 SER C N 8226 C CA . SER C 303 ? 0.6170 0.6064 0.5524 -0.0003 -0.0072 -0.0165 370 SER C CA 8227 C C . SER C 303 ? 0.5847 0.5789 0.5247 -0.0008 -0.0069 -0.0165 370 SER C C 8228 O O . SER C 303 ? 0.5600 0.5541 0.4992 -0.0028 -0.0067 -0.0167 370 SER C O 8229 C CB . SER C 303 ? 0.6959 0.6830 0.6303 0.0023 -0.0083 -0.0161 370 SER C CB 8230 O OG . SER C 303 ? 0.7991 0.7851 0.7326 0.0022 -0.0092 -0.0158 370 SER C OG 8231 N N . ARG C 304 ? 0.5442 0.5424 0.4886 0.0007 -0.0068 -0.0164 371 ARG C N 8232 C CA . ARG C 304 ? 0.5285 0.5313 0.4773 0.0003 -0.0065 -0.0164 371 ARG C CA 8233 C C . ARG C 304 ? 0.5344 0.5372 0.4836 0.0012 -0.0074 -0.0160 371 ARG C C 8234 O O . ARG C 304 ? 0.5185 0.5241 0.4710 0.0028 -0.0078 -0.0157 371 ARG C O 8235 C CB . ARG C 304 ? 0.5126 0.5193 0.4654 0.0013 -0.0059 -0.0164 371 ARG C CB 8236 C CG . ARG C 304 ? 0.5115 0.5182 0.4638 0.0003 -0.0051 -0.0167 371 ARG C CG 8237 C CD . ARG C 304 ? 0.5395 0.5487 0.4945 0.0017 -0.0048 -0.0166 371 ARG C CD 8238 N NE . ARG C 304 ? 0.5512 0.5604 0.5057 0.0006 -0.0042 -0.0169 371 ARG C NE 8239 C CZ . ARG C 304 ? 0.5327 0.5442 0.4894 0.0010 -0.0038 -0.0168 371 ARG C CZ 8240 N NH1 . ARG C 304 ? 0.5917 0.6057 0.5514 0.0025 -0.0038 -0.0166 371 ARG C NH1 8241 N NH2 . ARG C 304 ? 0.5210 0.5321 0.4769 -0.0001 -0.0035 -0.0170 371 ARG C NH2 8242 N N . SER C 305 ? 0.5052 0.5048 0.4511 0.0000 -0.0079 -0.0161 372 SER C N 8243 C CA . SER C 305 ? 0.5135 0.5124 0.4590 0.0003 -0.0089 -0.0157 372 SER C CA 8244 C C . SER C 305 ? 0.5685 0.5670 0.5128 -0.0020 -0.0085 -0.0160 372 SER C C 8245 O O . SER C 305 ? 0.5724 0.5690 0.5140 -0.0040 -0.0078 -0.0165 372 SER C O 8246 C CB . SER C 305 ? 0.5010 0.4953 0.4426 0.0017 -0.0102 -0.0153 372 SER C CB 8247 O OG . SER C 305 ? 0.6338 0.6235 0.5704 0.0000 -0.0102 -0.0155 372 SER C OG 8248 N N . GLY C 306 ? 0.5390 0.5393 0.4852 -0.0020 -0.0089 -0.0158 373 GLY C N 8249 C CA . GLY C 306 ? 0.5094 0.5098 0.4550 -0.0041 -0.0084 -0.0162 373 GLY C CA 8250 C C . GLY C 306 ? 0.4992 0.5032 0.4478 -0.0052 -0.0069 -0.0168 373 GLY C C 8251 O O . GLY C 306 ? 0.4891 0.4951 0.4397 -0.0047 -0.0063 -0.0170 373 GLY C O 8252 N N . TYR C 307 ? 0.4984 0.5031 0.4471 -0.0068 -0.0063 -0.0172 374 TYR C N 8253 C CA . TYR C 307 ? 0.5427 0.5503 0.4939 -0.0080 -0.0049 -0.0179 374 TYR C CA 8254 C C . TYR C 307 ? 0.5580 0.5647 0.5075 -0.0101 -0.0041 -0.0185 374 TYR C C 8255 O O . TYR C 307 ? 0.5981 0.6034 0.5463 -0.0102 -0.0047 -0.0182 374 TYR C O 8256 C CB . TYR C 307 ? 0.4937 0.5057 0.4497 -0.0067 -0.0048 -0.0178 374 TYR C CB 8257 C CG . TYR C 307 ? 0.4467 0.4617 0.4055 -0.0073 -0.0036 -0.0184 374 TYR C CG 8258 C CD1 . TYR C 307 ? 0.4765 0.4924 0.4362 -0.0067 -0.0035 -0.0183 374 TYR C CD1 8259 C CD2 . TYR C 307 ? 0.4401 0.4569 0.4003 -0.0084 -0.0027 -0.0190 374 TYR C CD2 8260 C CE1 . TYR C 307 ? 0.4398 0.4584 0.4020 -0.0072 -0.0027 -0.0188 374 TYR C CE1 8261 C CE2 . TYR C 307 ? 0.4033 0.4231 0.3664 -0.0087 -0.0018 -0.0196 374 TYR C CE2 8262 C CZ . TYR C 307 ? 0.4242 0.4448 0.3881 -0.0082 -0.0019 -0.0194 374 TYR C CZ 8263 O OH . TYR C 307 ? 0.4345 0.4579 0.4010 -0.0086 -0.0012 -0.0199 374 TYR C OH 8264 N N . GLU C 308 ? 0.5542 0.5618 0.5037 -0.0118 -0.0028 -0.0193 375 GLU C N 8265 C CA . GLU C 308 ? 0.5281 0.5349 0.4759 -0.0140 -0.0017 -0.0200 375 GLU C CA 8266 C C . GLU C 308 ? 0.5319 0.5427 0.4832 -0.0147 -0.0002 -0.0209 375 GLU C C 8267 O O . GLU C 308 ? 0.5654 0.5783 0.5190 -0.0141 -0.0001 -0.0209 375 GLU C O 8268 C CB . GLU C 308 ? 0.5163 0.5187 0.4588 -0.0158 -0.0016 -0.0202 375 GLU C CB 8269 C CG . GLU C 308 ? 0.6133 0.6157 0.5552 -0.0164 -0.0012 -0.0204 375 GLU C CG 8270 C CD . GLU C 308 ? 0.6405 0.6380 0.5766 -0.0184 -0.0011 -0.0205 375 GLU C CD 8271 O OE1 . GLU C 308 ? 0.6240 0.6184 0.5566 -0.0196 -0.0013 -0.0205 375 GLU C OE1 8272 O OE2 . GLU C 308 ? 0.6173 0.6136 0.5517 -0.0190 -0.0011 -0.0205 375 GLU C OE2 8273 N N . THR C 309 ? 0.4763 0.4879 0.4280 -0.0159 0.0008 -0.0216 376 THR C N 8274 C CA . THR C 309 ? 0.5488 0.5640 0.5037 -0.0166 0.0022 -0.0226 376 THR C CA 8275 C C . THR C 309 ? 0.5584 0.5723 0.5106 -0.0192 0.0037 -0.0235 376 THR C C 8276 O O . THR C 309 ? 0.5134 0.5238 0.4617 -0.0201 0.0035 -0.0234 376 THR C O 8277 C CB . THR C 309 ? 0.5929 0.6113 0.5518 -0.0154 0.0025 -0.0228 376 THR C CB 8278 O OG1 . THR C 309 ? 0.6244 0.6406 0.5813 -0.0156 0.0023 -0.0226 376 THR C OG1 8279 C CG2 . THR C 309 ? 0.7489 0.7692 0.7108 -0.0133 0.0014 -0.0220 376 THR C CG2 8280 N N . PHE C 310 ? 0.5146 0.5315 0.4690 -0.0202 0.0050 -0.0244 377 PHE C N 8281 C CA . PHE C 310 ? 0.5279 0.5445 0.4806 -0.0226 0.0066 -0.0255 377 PHE C CA 8282 C C . PHE C 310 ? 0.5249 0.5461 0.4817 -0.0230 0.0079 -0.0264 377 PHE C C 8283 O O . PHE C 310 ? 0.5175 0.5418 0.4781 -0.0216 0.0074 -0.0262 377 PHE C O 8284 C CB . PHE C 310 ? 0.5888 0.6010 0.5360 -0.0246 0.0065 -0.0253 377 PHE C CB 8285 C CG . PHE C 310 ? 0.5572 0.5690 0.5040 -0.0243 0.0056 -0.0248 377 PHE C CG 8286 C CD1 . PHE C 310 ? 0.6232 0.6380 0.5719 -0.0255 0.0066 -0.0254 377 PHE C CD1 8287 C CD2 . PHE C 310 ? 0.6035 0.6119 0.5476 -0.0231 0.0040 -0.0237 377 PHE C CD2 8288 C CE1 . PHE C 310 ? 0.6152 0.6292 0.5629 -0.0255 0.0058 -0.0249 377 PHE C CE1 8289 C CE2 . PHE C 310 ? 0.6335 0.6409 0.5766 -0.0229 0.0033 -0.0232 377 PHE C CE2 8290 C CZ . PHE C 310 ? 0.6791 0.6893 0.6240 -0.0242 0.0042 -0.0238 377 PHE C CZ 8291 N N . ARG C 311 ? 0.5448 0.5666 0.5009 -0.0251 0.0097 -0.0275 378 ARG C N 8292 C CA . ARG C 311 ? 0.5338 0.5600 0.4935 -0.0260 0.0111 -0.0287 378 ARG C CA 8293 C C . ARG C 311 ? 0.6068 0.6318 0.5634 -0.0287 0.0118 -0.0290 378 ARG C C 8294 O O . ARG C 311 ? 0.5879 0.6086 0.5392 -0.0306 0.0121 -0.0291 378 ARG C O 8295 C CB . ARG C 311 ? 0.5734 0.6017 0.5350 -0.0262 0.0128 -0.0298 378 ARG C CB 8296 C CG . ARG C 311 ? 0.6558 0.6891 0.6217 -0.0269 0.0144 -0.0311 378 ARG C CG 8297 C CD . ARG C 311 ? 0.7049 0.7407 0.6739 -0.0260 0.0157 -0.0321 378 ARG C CD 8298 N NE . ARG C 311 ? 0.8777 0.9136 0.8452 -0.0284 0.0179 -0.0335 378 ARG C NE 8299 C CZ . ARG C 311 ? 0.9694 1.0019 0.9332 -0.0294 0.0188 -0.0338 378 ARG C CZ 8300 N NH1 . ARG C 311 ? 1.0591 1.0921 1.0217 -0.0318 0.0210 -0.0352 378 ARG C NH1 8301 N NH2 . ARG C 311 ? 1.0166 1.0454 0.9779 -0.0283 0.0175 -0.0328 378 ARG C NH2 8302 N N . VAL C 312 ? 0.5327 0.5613 0.4923 -0.0291 0.0121 -0.0294 379 VAL C N 8303 C CA . VAL C 312 ? 0.5379 0.5659 0.4949 -0.0320 0.0130 -0.0299 379 VAL C CA 8304 C C . VAL C 312 ? 0.5161 0.5495 0.4773 -0.0332 0.0149 -0.0314 379 VAL C C 8305 O O . VAL C 312 ? 0.5563 0.5946 0.5230 -0.0317 0.0147 -0.0316 379 VAL C O 8306 C CB . VAL C 312 ? 0.5821 0.6098 0.5387 -0.0318 0.0116 -0.0291 379 VAL C CB 8307 C CG1 . VAL C 312 ? 0.5969 0.6236 0.5503 -0.0351 0.0124 -0.0296 379 VAL C CG1 8308 C CG2 . VAL C 312 ? 0.5319 0.5549 0.4852 -0.0302 0.0097 -0.0277 379 VAL C CG2 8309 N N . THR C 313 ? 0.5522 0.5848 0.5109 -0.0358 0.0168 -0.0325 380 THR C N 8310 C CA . THR C 313 ? 0.5713 0.6092 0.5342 -0.0369 0.0189 -0.0341 380 THR C CA 8311 C C . THR C 313 ? 0.5423 0.5834 0.5070 -0.0383 0.0189 -0.0343 380 THR C C 8312 O O . THR C 313 ? 0.5648 0.6027 0.5252 -0.0401 0.0182 -0.0337 380 THR C O 8313 C CB . THR C 313 ? 0.6476 0.6838 0.6071 -0.0396 0.0212 -0.0353 380 THR C CB 8314 O OG1 . THR C 313 ? 0.8512 0.8833 0.8047 -0.0426 0.0212 -0.0350 380 THR C OG1 8315 C CG2 . THR C 313 ? 0.6224 0.6550 0.5795 -0.0384 0.0210 -0.0350 380 THR C CG2 8316 N N . ASP C 314 ? 0.5804 0.6278 0.5516 -0.0372 0.0193 -0.0350 381 ASP C N 8317 C CA . ASP C 314 ? 0.6445 0.6957 0.6184 -0.0382 0.0189 -0.0351 381 ASP C CA 8318 C C . ASP C 314 ? 0.6041 0.6531 0.5768 -0.0371 0.0166 -0.0336 381 ASP C C 8319 O O . ASP C 314 ? 0.6503 0.7016 0.6244 -0.0381 0.0161 -0.0335 381 ASP C O 8320 C CB . ASP C 314 ? 0.7194 0.7706 0.6905 -0.0422 0.0206 -0.0360 381 ASP C CB 8321 C CG . ASP C 314 ? 0.7819 0.8368 0.7556 -0.0433 0.0233 -0.0378 381 ASP C CG 8322 O OD1 . ASP C 314 ? 0.8259 0.8867 0.8062 -0.0416 0.0239 -0.0386 381 ASP C OD1 8323 O OD2 . ASP C 314 ? 0.8693 0.9210 0.8383 -0.0458 0.0248 -0.0384 381 ASP C OD2 8324 N N . GLY C 315 ? 0.5930 0.6382 0.5638 -0.0348 0.0151 -0.0324 382 GLY C N 8325 C CA . GLY C 315 ? 0.5888 0.6314 0.5580 -0.0337 0.0130 -0.0310 382 GLY C CA 8326 C C . GLY C 315 ? 0.5690 0.6159 0.5436 -0.0316 0.0119 -0.0307 382 GLY C C 8327 O O . GLY C 315 ? 0.5309 0.5762 0.5044 -0.0309 0.0103 -0.0297 382 GLY C O 8328 N N . TRP C 316 ? 0.5153 0.5673 0.4955 -0.0304 0.0126 -0.0316 383 TRP C N 8329 C CA . TRP C 316 ? 0.5544 0.6105 0.5397 -0.0286 0.0114 -0.0313 383 TRP C CA 8330 C C . TRP C 316 ? 0.5910 0.6516 0.5792 -0.0304 0.0117 -0.0320 383 TRP C C 8331 O O . TRP C 316 ? 0.6068 0.6691 0.5971 -0.0296 0.0102 -0.0314 383 TRP C O 8332 C CB . TRP C 316 ? 0.5594 0.6186 0.5495 -0.0260 0.0116 -0.0318 383 TRP C CB 8333 C CG . TRP C 316 ? 0.5795 0.6415 0.5739 -0.0237 0.0099 -0.0312 383 TRP C CG 8334 C CD1 . TRP C 316 ? 0.5314 0.5987 0.5312 -0.0231 0.0098 -0.0318 383 TRP C CD1 8335 C CD2 . TRP C 316 ? 0.5589 0.6181 0.5520 -0.0219 0.0080 -0.0298 383 TRP C CD2 8336 N NE1 . TRP C 316 ? 0.5516 0.6194 0.5533 -0.0211 0.0079 -0.0309 383 TRP C NE1 8337 C CE2 . TRP C 316 ? 0.4972 0.5600 0.4948 -0.0204 0.0068 -0.0297 383 TRP C CE2 8338 C CE3 . TRP C 316 ? 0.5646 0.6187 0.5532 -0.0214 0.0072 -0.0287 383 TRP C CE3 8339 C CZ2 . TRP C 316 ? 0.5660 0.6274 0.5635 -0.0186 0.0050 -0.0285 383 TRP C CZ2 8340 C CZ3 . TRP C 316 ? 0.5257 0.5787 0.5146 -0.0195 0.0055 -0.0276 383 TRP C CZ3 8341 C CH2 . TRP C 316 ? 0.4890 0.5455 0.4821 -0.0182 0.0044 -0.0275 383 TRP C CH2 8342 N N . THR C 317 ? 0.5877 0.6505 0.5762 -0.0328 0.0136 -0.0332 384 THR C N 8343 C CA . THR C 317 ? 0.5934 0.6616 0.5856 -0.0345 0.0139 -0.0340 384 THR C CA 8344 C C . THR C 317 ? 0.6014 0.6680 0.5893 -0.0384 0.0147 -0.0342 384 THR C C 8345 O O . THR C 317 ? 0.6993 0.7699 0.6897 -0.0399 0.0147 -0.0347 384 THR C O 8346 C CB . THR C 317 ? 0.6365 0.7107 0.6346 -0.0341 0.0156 -0.0356 384 THR C CB 8347 O OG1 . THR C 317 ? 0.5655 0.6381 0.5611 -0.0352 0.0177 -0.0365 384 THR C OG1 8348 C CG2 . THR C 317 ? 0.6214 0.6980 0.6244 -0.0303 0.0145 -0.0354 384 THR C CG2 8349 N N . THR C 318 ? 0.5523 0.6132 0.5338 -0.0399 0.0152 -0.0339 385 THR C N 8350 C CA . THR C 318 ? 0.5822 0.6406 0.5588 -0.0436 0.0158 -0.0341 385 THR C CA 8351 C C . THR C 318 ? 0.5978 0.6495 0.5683 -0.0436 0.0140 -0.0326 385 THR C C 8352 O O . THR C 318 ? 0.6684 0.7150 0.6350 -0.0423 0.0136 -0.0319 385 THR C O 8353 C CB . THR C 318 ? 0.6178 0.6742 0.5909 -0.0459 0.0180 -0.0351 385 THR C CB 8354 O OG1 . THR C 318 ? 0.6784 0.7409 0.6571 -0.0459 0.0198 -0.0365 385 THR C OG1 8355 C CG2 . THR C 318 ? 0.5943 0.6476 0.5617 -0.0500 0.0186 -0.0352 385 THR C CG2 8356 N N . ALA C 319 ? 0.6364 0.6882 0.6058 -0.0451 0.0131 -0.0322 386 ALA C N 8357 C CA . ALA C 319 ? 0.6267 0.6723 0.5903 -0.0453 0.0116 -0.0309 386 ALA C CA 8358 C C . ALA C 319 ? 0.6600 0.6990 0.6165 -0.0468 0.0122 -0.0308 386 ALA C C 8359 O O . ALA C 319 ? 0.6605 0.6991 0.6145 -0.0499 0.0138 -0.0316 386 ALA C O 8360 C CB . ALA C 319 ? 0.5938 0.6406 0.5568 -0.0478 0.0110 -0.0308 386 ALA C CB 8361 N N . ASN C 320 ? 0.7236 0.7574 0.6767 -0.0446 0.0110 -0.0297 387 ASN C N 8362 C CA . ASN C 320 ? 0.7248 0.7515 0.6706 -0.0456 0.0109 -0.0292 387 ASN C CA 8363 C C . ASN C 320 ? 0.6308 0.6559 0.5750 -0.0460 0.0122 -0.0298 387 ASN C C 8364 O O . ASN C 320 ? 0.6517 0.6710 0.5894 -0.0475 0.0122 -0.0295 387 ASN C O 8365 C CB . ASN C 320 ? 0.7395 0.7636 0.6804 -0.0492 0.0110 -0.0293 387 ASN C CB 8366 C CG . ASN C 320 ? 0.8360 0.8526 0.7703 -0.0488 0.0095 -0.0281 387 ASN C CG 8367 O OD1 . ASN C 320 ? 0.9258 0.9414 0.8609 -0.0460 0.0081 -0.0272 387 ASN C OD1 8368 N ND2 . ASN C 320 ? 0.9862 0.9974 0.9137 -0.0515 0.0099 -0.0281 387 ASN C ND2 8369 N N . SER C 321 ? 0.6132 0.6430 0.5627 -0.0446 0.0131 -0.0305 388 SER C N 8370 C CA . SER C 321 ? 0.6414 0.6694 0.5891 -0.0449 0.0143 -0.0310 388 SER C CA 8371 C C . SER C 321 ? 0.5921 0.6139 0.5354 -0.0430 0.0129 -0.0298 388 SER C C 8372 O O . SER C 321 ? 0.6397 0.6610 0.5844 -0.0401 0.0113 -0.0289 388 SER C O 8373 C CB . SER C 321 ? 0.6147 0.6487 0.5688 -0.0437 0.0156 -0.0321 388 SER C CB 8374 O OG . SER C 321 ? 0.7536 0.7848 0.7055 -0.0434 0.0164 -0.0323 388 SER C OG 8375 N N . LYS C 322 ? 0.6051 0.6219 0.5427 -0.0447 0.0135 -0.0300 389 LYS C N 8376 C CA . LYS C 322 ? 0.7145 0.7251 0.6473 -0.0432 0.0120 -0.0289 389 LYS C CA 8377 C C . LYS C 322 ? 0.6906 0.6997 0.6221 -0.0434 0.0129 -0.0293 389 LYS C C 8378 O O . LYS C 322 ? 0.6308 0.6344 0.5574 -0.0432 0.0121 -0.0287 389 LYS C O 8379 C CB . LYS C 322 ? 0.7475 0.7516 0.6730 -0.0450 0.0112 -0.0282 389 LYS C CB 8380 C CG . LYS C 322 ? 0.7595 0.7637 0.6856 -0.0440 0.0098 -0.0275 389 LYS C CG 8381 C CD . LYS C 322 ? 0.6891 0.6861 0.6078 -0.0451 0.0087 -0.0267 389 LYS C CD 8382 C CE . LYS C 322 ? 0.7462 0.7439 0.6657 -0.0446 0.0077 -0.0262 389 LYS C CE 8383 N NZ . LYS C 322 ? 0.7510 0.7413 0.6637 -0.0444 0.0063 -0.0253 389 LYS C NZ 8384 N N . SER C 323 ? 0.6757 0.6901 0.6121 -0.0434 0.0145 -0.0304 390 SER C N 8385 C CA . SER C 323 ? 0.7202 0.7340 0.6557 -0.0441 0.0159 -0.0311 390 SER C CA 8386 C C . SER C 323 ? 0.7023 0.7167 0.6407 -0.0407 0.0150 -0.0306 390 SER C C 8387 O O . SER C 323 ? 0.6354 0.6548 0.5794 -0.0394 0.0158 -0.0313 390 SER C O 8388 C CB . SER C 323 ? 0.7345 0.7538 0.6737 -0.0462 0.0183 -0.0327 390 SER C CB 8389 O OG . SER C 323 ? 0.8537 0.8723 0.7915 -0.0473 0.0199 -0.0336 390 SER C OG 8390 N N . GLN C 324 ? 0.6298 0.6390 0.5643 -0.0394 0.0133 -0.0294 391 GLN C N 8391 C CA . GLN C 324 ? 0.6393 0.6492 0.5766 -0.0364 0.0124 -0.0289 391 GLN C CA 8392 C C . GLN C 324 ? 0.5771 0.5853 0.5126 -0.0370 0.0132 -0.0294 391 GLN C C 8393 O O . GLN C 324 ? 0.5818 0.5861 0.5122 -0.0394 0.0139 -0.0297 391 GLN C O 8394 C CB . GLN C 324 ? 0.6432 0.6501 0.5792 -0.0339 0.0099 -0.0274 391 GLN C CB 8395 C CG . GLN C 324 ? 0.6518 0.6519 0.5811 -0.0345 0.0087 -0.0265 391 GLN C CG 8396 C CD . GLN C 324 ? 0.6506 0.6489 0.5801 -0.0314 0.0065 -0.0252 391 GLN C CD 8397 O OE1 . GLN C 324 ? 0.7153 0.7118 0.6437 -0.0307 0.0060 -0.0249 391 GLN C OE1 8398 N NE2 . GLN C 324 ? 0.6587 0.6575 0.5896 -0.0297 0.0053 -0.0245 391 GLN C NE2 8399 N N . VAL C 325 ? 0.5665 0.5775 0.5063 -0.0347 0.0131 -0.0294 392 VAL C N 8400 C CA . VAL C 325 ? 0.5933 0.6031 0.5321 -0.0347 0.0137 -0.0297 392 VAL C CA 8401 C C . VAL C 325 ? 0.5389 0.5499 0.4812 -0.0314 0.0123 -0.0289 392 VAL C C 8402 O O . VAL C 325 ? 0.5411 0.5552 0.4874 -0.0293 0.0114 -0.0284 392 VAL C O 8403 C CB . VAL C 325 ? 0.6467 0.6600 0.5877 -0.0364 0.0164 -0.0314 392 VAL C CB 8404 C CG1 . VAL C 325 ? 0.6761 0.6959 0.6243 -0.0346 0.0171 -0.0320 392 VAL C CG1 8405 C CG2 . VAL C 325 ? 0.7549 0.7659 0.6936 -0.0369 0.0172 -0.0318 392 VAL C CG2 8406 N N . ASN C 326 ? 0.5780 0.5862 0.5180 -0.0311 0.0119 -0.0286 393 ASN C N 8407 C CA . ASN C 326 ? 0.4871 0.4962 0.4298 -0.0285 0.0107 -0.0279 393 ASN C CA 8408 C C . ASN C 326 ? 0.5018 0.5100 0.4448 -0.0264 0.0084 -0.0265 393 ASN C C 8409 O O . ASN C 326 ? 0.4713 0.4824 0.4185 -0.0241 0.0076 -0.0261 393 ASN C O 8410 C CB . ASN C 326 ? 0.5970 0.6116 0.5457 -0.0272 0.0119 -0.0288 393 ASN C CB 8411 C CG . ASN C 326 ? 0.6411 0.6567 0.5899 -0.0288 0.0142 -0.0303 393 ASN C CG 8412 O OD1 . ASN C 326 ? 0.6542 0.6743 0.6076 -0.0283 0.0156 -0.0313 393 ASN C OD1 8413 N ND2 . ASN C 326 ? 0.6667 0.6782 0.6106 -0.0305 0.0147 -0.0305 393 ASN C ND2 8414 N N . ARG C 327 ? 0.4657 0.4697 0.4041 -0.0271 0.0073 -0.0257 394 ARG C N 8415 C CA . ARG C 327 ? 0.4999 0.5026 0.4382 -0.0251 0.0051 -0.0244 394 ARG C CA 8416 C C . ARG C 327 ? 0.5477 0.5492 0.4861 -0.0235 0.0037 -0.0236 394 ARG C C 8417 O O . ARG C 327 ? 0.6086 0.6076 0.5441 -0.0246 0.0039 -0.0238 394 ARG C O 8418 C CB . ARG C 327 ? 0.5168 0.5147 0.4497 -0.0263 0.0042 -0.0239 394 ARG C CB 8419 C CG . ARG C 327 ? 0.6033 0.5996 0.5359 -0.0240 0.0020 -0.0226 394 ARG C CG 8420 C CD . ARG C 327 ? 0.6235 0.6149 0.5507 -0.0250 0.0012 -0.0222 394 ARG C CD 8421 N NE . ARG C 327 ? 0.7408 0.7310 0.6681 -0.0227 -0.0006 -0.0211 394 ARG C NE 8422 C CZ . ARG C 327 ? 0.7708 0.7570 0.6948 -0.0217 -0.0024 -0.0202 394 ARG C CZ 8423 N NH1 . ARG C 327 ? 0.8320 0.8144 0.7519 -0.0229 -0.0029 -0.0201 394 ARG C NH1 8424 N NH2 . ARG C 327 ? 0.7547 0.7406 0.6796 -0.0194 -0.0038 -0.0194 394 ARG C NH2 8425 N N . GLN C 328 ? 0.5315 0.5351 0.4732 -0.0210 0.0024 -0.0228 395 GLN C N 8426 C CA . GLN C 328 ? 0.5098 0.5126 0.4518 -0.0194 0.0008 -0.0219 395 GLN C CA 8427 C C . GLN C 328 ? 0.5661 0.5686 0.5087 -0.0174 -0.0008 -0.0208 395 GLN C C 8428 O O . GLN C 328 ? 0.5608 0.5659 0.5062 -0.0165 -0.0006 -0.0209 395 GLN C O 8429 C CB . GLN C 328 ? 0.5726 0.5793 0.5192 -0.0182 0.0013 -0.0221 395 GLN C CB 8430 C CG . GLN C 328 ? 0.5253 0.5326 0.4719 -0.0196 0.0031 -0.0233 395 GLN C CG 8431 C CD . GLN C 328 ? 0.5563 0.5674 0.5076 -0.0183 0.0035 -0.0236 395 GLN C CD 8432 O OE1 . GLN C 328 ? 0.4998 0.5143 0.4545 -0.0180 0.0047 -0.0243 395 GLN C OE1 8433 N NE2 . GLN C 328 ? 0.5637 0.5740 0.5150 -0.0174 0.0024 -0.0229 395 GLN C NE2 8434 N N . ILE C 329 ? 0.5180 0.5174 0.4579 -0.0168 -0.0025 -0.0200 396 ILE C N 8435 C CA . ILE C 329 ? 0.5160 0.5157 0.4572 -0.0146 -0.0041 -0.0190 396 ILE C CA 8436 C C . ILE C 329 ? 0.5158 0.5192 0.4615 -0.0128 -0.0046 -0.0186 396 ILE C C 8437 O O . ILE C 329 ? 0.5051 0.5085 0.4509 -0.0130 -0.0048 -0.0186 396 ILE C O 8438 C CB . ILE C 329 ? 0.5497 0.5447 0.4864 -0.0145 -0.0059 -0.0182 396 ILE C CB 8439 C CG1 . ILE C 329 ? 0.5675 0.5585 0.4995 -0.0161 -0.0056 -0.0185 396 ILE C CG1 8440 C CG2 . ILE C 329 ? 0.5104 0.5063 0.4491 -0.0118 -0.0076 -0.0172 396 ILE C CG2 8441 C CD1 . ILE C 329 ? 0.6174 0.6032 0.5444 -0.0161 -0.0073 -0.0177 396 ILE C CD1 8442 N N . ILE C 330 ? 0.5541 0.5604 0.5033 -0.0112 -0.0047 -0.0184 397 ILE C N 8443 C CA . ILE C 330 ? 0.5063 0.5158 0.4594 -0.0095 -0.0052 -0.0180 397 ILE C CA 8444 C C . ILE C 330 ? 0.4869 0.4959 0.4402 -0.0078 -0.0069 -0.0170 397 ILE C C 8445 O O . ILE C 330 ? 0.5474 0.5575 0.5021 -0.0070 -0.0078 -0.0165 397 ILE C O 8446 C CB . ILE C 330 ? 0.5349 0.5481 0.4919 -0.0089 -0.0042 -0.0184 397 ILE C CB 8447 C CG1 . ILE C 330 ? 0.5407 0.5548 0.4980 -0.0106 -0.0025 -0.0194 397 ILE C CG1 8448 C CG2 . ILE C 330 ? 0.5495 0.5659 0.5103 -0.0075 -0.0046 -0.0180 397 ILE C CG2 8449 C CD1 . ILE C 330 ? 0.5044 0.5189 0.4619 -0.0114 -0.0018 -0.0199 397 ILE C CD1 8450 N N . VAL C 331 ? 0.4745 0.4820 0.4264 -0.0071 -0.0073 -0.0168 398 VAL C N 8451 C CA . VAL C 331 ? 0.4725 0.4792 0.4243 -0.0052 -0.0088 -0.0160 398 VAL C CA 8452 C C . VAL C 331 ? 0.4892 0.4913 0.4362 -0.0057 -0.0094 -0.0159 398 VAL C C 8453 O O . VAL C 331 ? 0.4676 0.4685 0.4131 -0.0064 -0.0086 -0.0163 398 VAL C O 8454 C CB . VAL C 331 ? 0.4693 0.4790 0.4244 -0.0035 -0.0086 -0.0159 398 VAL C CB 8455 C CG1 . VAL C 331 ? 0.4622 0.4712 0.4173 -0.0015 -0.0100 -0.0152 398 VAL C CG1 8456 C CG2 . VAL C 331 ? 0.4558 0.4698 0.4153 -0.0032 -0.0080 -0.0160 398 VAL C CG2 8457 N N . ASP C 332 ? 0.4740 0.4733 0.4186 -0.0052 -0.0110 -0.0153 399 ASP C N 8458 C CA . ASP C 332 ? 0.5358 0.5301 0.4754 -0.0056 -0.0118 -0.0151 399 ASP C CA 8459 C C . ASP C 332 ? 0.5695 0.5632 0.5090 -0.0038 -0.0121 -0.0149 399 ASP C C 8460 O O . ASP C 332 ? 0.5535 0.5507 0.4971 -0.0019 -0.0121 -0.0147 399 ASP C O 8461 C CB . ASP C 332 ? 0.5696 0.5610 0.5067 -0.0053 -0.0138 -0.0144 399 ASP C CB 8462 C CG . ASP C 332 ? 0.7210 0.7149 0.6614 -0.0027 -0.0153 -0.0136 399 ASP C CG 8463 O OD1 . ASP C 332 ? 0.8964 0.8930 0.8396 -0.0025 -0.0158 -0.0134 399 ASP C OD1 8464 O OD2 . ASP C 332 ? 0.7688 0.7621 0.7093 -0.0008 -0.0159 -0.0134 399 ASP C OD2 8465 N N . ASN C 333 ? 0.5649 0.5538 0.4996 -0.0046 -0.0124 -0.0150 400 ASN C N 8466 C CA . ASN C 333 ? 0.5839 0.5712 0.5175 -0.0033 -0.0125 -0.0149 400 ASN C CA 8467 C C . ASN C 333 ? 0.6163 0.6024 0.5499 -0.0005 -0.0142 -0.0142 400 ASN C C 8468 O O . ASN C 333 ? 0.6319 0.6163 0.5642 0.0006 -0.0143 -0.0142 400 ASN C O 8469 C CB . ASN C 333 ? 0.5965 0.5789 0.5245 -0.0053 -0.0121 -0.0152 400 ASN C CB 8470 C CG . ASN C 333 ? 0.6923 0.6742 0.6199 -0.0047 -0.0114 -0.0154 400 ASN C CG 8471 O OD1 . ASN C 333 ? 0.7602 0.7461 0.6919 -0.0037 -0.0106 -0.0156 400 ASN C OD1 8472 N ND2 . ASN C 333 ? 0.8019 0.7784 0.7240 -0.0054 -0.0119 -0.0154 400 ASN C ND2 8473 N N . ASN C 334 ? 0.6218 0.6093 0.5572 0.0005 -0.0156 -0.0137 401 ASN C N 8474 C CA . ASN C 334 ? 0.6335 0.6221 0.5711 0.0035 -0.0169 -0.0131 401 ASN C CA 8475 C C . ASN C 334 ? 0.5734 0.5681 0.5171 0.0050 -0.0162 -0.0132 401 ASN C C 8476 O O . ASN C 334 ? 0.6009 0.5973 0.5470 0.0072 -0.0172 -0.0127 401 ASN C O 8477 C CB . ASN C 334 ? 0.6927 0.6798 0.6292 0.0040 -0.0190 -0.0124 401 ASN C CB 8478 C CG . ASN C 334 ? 0.7925 0.7731 0.7226 0.0030 -0.0202 -0.0122 401 ASN C CG 8479 O OD1 . ASN C 334 ? 0.8943 0.8710 0.8209 0.0032 -0.0200 -0.0124 401 ASN C OD1 8480 N ND2 . ASN C 334 ? 0.8996 0.8784 0.8276 0.0018 -0.0212 -0.0119 401 ASN C ND2 8481 N N . ASN C 335 ? 0.5733 0.5713 0.5196 0.0036 -0.0145 -0.0136 402 ASN C N 8482 C CA . ASN C 335 ? 0.5111 0.5143 0.4626 0.0047 -0.0139 -0.0137 402 ASN C CA 8483 C C . ASN C 335 ? 0.5218 0.5266 0.4745 0.0042 -0.0122 -0.0142 402 ASN C C 8484 O O . ASN C 335 ? 0.5213 0.5241 0.4715 0.0024 -0.0113 -0.0147 402 ASN C O 8485 C CB . ASN C 335 ? 0.5048 0.5109 0.4587 0.0035 -0.0138 -0.0136 402 ASN C CB 8486 C CG . ASN C 335 ? 0.5707 0.5765 0.5247 0.0043 -0.0156 -0.0130 402 ASN C CG 8487 O OD1 . ASN C 335 ? 0.6467 0.6553 0.6038 0.0061 -0.0164 -0.0126 402 ASN C OD1 8488 N ND2 . ASN C 335 ? 0.5722 0.5747 0.5226 0.0029 -0.0164 -0.0128 402 ASN C ND2 8489 N N . TRP C 336 ? 0.4773 0.4856 0.4338 0.0057 -0.0118 -0.0142 403 TRP C N 8490 C CA . TRP C 336 ? 0.4721 0.4818 0.4297 0.0056 -0.0104 -0.0146 403 TRP C CA 8491 C C . TRP C 336 ? 0.4994 0.5120 0.4593 0.0039 -0.0094 -0.0149 403 TRP C C 8492 O O . TRP C 336 ? 0.5211 0.5362 0.4833 0.0037 -0.0096 -0.0147 403 TRP C O 8493 C CB . TRP C 336 ? 0.5127 0.5250 0.4732 0.0077 -0.0103 -0.0145 403 TRP C CB 8494 C CG . TRP C 336 ? 0.5607 0.5702 0.5193 0.0096 -0.0112 -0.0143 403 TRP C CG 8495 C CD1 . TRP C 336 ? 0.5301 0.5407 0.4902 0.0116 -0.0124 -0.0139 403 TRP C CD1 8496 C CD2 . TRP C 336 ? 0.5480 0.5530 0.5024 0.0098 -0.0112 -0.0144 403 TRP C CD2 8497 N NE1 . TRP C 336 ? 0.5481 0.5551 0.5054 0.0132 -0.0131 -0.0138 403 TRP C NE1 8498 C CE2 . TRP C 336 ? 0.5522 0.5555 0.5058 0.0122 -0.0124 -0.0141 403 TRP C CE2 8499 C CE3 . TRP C 336 ? 0.6057 0.6079 0.5569 0.0083 -0.0103 -0.0148 403 TRP C CE3 8500 C CZ2 . TRP C 336 ? 0.5689 0.5673 0.5182 0.0130 -0.0128 -0.0142 403 TRP C CZ2 8501 C CZ3 . TRP C 336 ? 0.6487 0.6461 0.5956 0.0089 -0.0107 -0.0149 403 TRP C CZ3 8502 C CH2 . TRP C 336 ? 0.5910 0.5864 0.5368 0.0113 -0.0118 -0.0146 403 TRP C CH2 8503 N N . SER C 337 ? 0.5095 0.5217 0.4686 0.0028 -0.0083 -0.0154 404 SER C N 8504 C CA . SER C 337 ? 0.5184 0.5334 0.4798 0.0015 -0.0073 -0.0157 404 SER C CA 8505 C C . SER C 337 ? 0.5420 0.5589 0.5054 0.0022 -0.0066 -0.0158 404 SER C C 8506 O O . SER C 337 ? 0.5775 0.5957 0.5425 0.0038 -0.0069 -0.0156 404 SER C O 8507 C CB . SER C 337 ? 0.4759 0.4892 0.4350 -0.0006 -0.0067 -0.0162 404 SER C CB 8508 O OG . SER C 337 ? 0.5035 0.5139 0.4595 -0.0013 -0.0064 -0.0165 404 SER C OG 8509 N N . GLY C 338 ? 0.5175 0.5349 0.4810 0.0009 -0.0058 -0.0163 405 GLY C N 8510 C CA . GLY C 338 ? 0.5131 0.5326 0.4786 0.0013 -0.0052 -0.0163 405 GLY C CA 8511 C C . GLY C 338 ? 0.5101 0.5309 0.4765 -0.0001 -0.0045 -0.0168 405 GLY C C 8512 O O . GLY C 338 ? 0.5367 0.5564 0.5015 -0.0016 -0.0043 -0.0171 405 GLY C O 8513 N N . TYR C 339 ? 0.4635 0.4870 0.4326 0.0001 -0.0042 -0.0167 406 TYR C N 8514 C CA . TYR C 339 ? 0.5416 0.5668 0.5122 -0.0011 -0.0038 -0.0171 406 TYR C CA 8515 C C . TYR C 339 ? 0.4718 0.4982 0.4436 -0.0018 -0.0037 -0.0174 406 TYR C C 8516 O O . TYR C 339 ? 0.5450 0.5717 0.5173 -0.0013 -0.0040 -0.0171 406 TYR C O 8517 C CB . TYR C 339 ? 0.5412 0.5687 0.5142 -0.0005 -0.0037 -0.0170 406 TYR C CB 8518 C CG . TYR C 339 ? 0.5380 0.5645 0.5098 -0.0002 -0.0036 -0.0169 406 TYR C CG 8519 C CD1 . TYR C 339 ? 0.5340 0.5576 0.5028 -0.0002 -0.0035 -0.0169 406 TYR C CD1 8520 C CD2 . TYR C 339 ? 0.5397 0.5678 0.5132 -0.0001 -0.0035 -0.0168 406 TYR C CD2 8521 C CE1 . TYR C 339 ? 0.4923 0.5147 0.4596 -0.0001 -0.0034 -0.0169 406 TYR C CE1 8522 C CE2 . TYR C 339 ? 0.4881 0.5152 0.4604 -0.0001 -0.0034 -0.0168 406 TYR C CE2 8523 C CZ . TYR C 339 ? 0.5172 0.5415 0.4864 -0.0001 -0.0033 -0.0168 406 TYR C CZ 8524 O OH . TYR C 339 ? 0.4794 0.5023 0.4470 -0.0001 -0.0031 -0.0168 406 TYR C OH 8525 N N . SER C 340 ? 0.4487 0.4759 0.4210 -0.0031 -0.0032 -0.0179 407 SER C N 8526 C CA . SER C 340 ? 0.4437 0.4723 0.4175 -0.0036 -0.0029 -0.0183 407 SER C CA 8527 C C . SER C 340 ? 0.4439 0.4748 0.4201 -0.0041 -0.0026 -0.0187 407 SER C C 8528 O O . SER C 340 ? 0.4213 0.4523 0.3973 -0.0044 -0.0026 -0.0187 407 SER C O 8529 C CB . SER C 340 ? 0.4239 0.4507 0.3954 -0.0048 -0.0026 -0.0186 407 SER C CB 8530 O OG . SER C 340 ? 0.4657 0.4913 0.4354 -0.0060 -0.0022 -0.0190 407 SER C OG 8531 N N . GLY C 341 ? 0.4537 0.4863 0.4319 -0.0041 -0.0024 -0.0189 408 GLY C N 8532 C CA . GLY C 341 ? 0.4813 0.5163 0.4621 -0.0043 -0.0022 -0.0194 408 GLY C CA 8533 C C . GLY C 341 ? 0.4850 0.5211 0.4672 -0.0044 -0.0017 -0.0199 408 GLY C C 8534 O O . GLY C 341 ? 0.5127 0.5479 0.4942 -0.0044 -0.0017 -0.0198 408 GLY C O 8535 N N . ILE C 342 ? 0.4518 0.4899 0.4363 -0.0046 -0.0015 -0.0204 409 ILE C N 8536 C CA . ILE C 342 ? 0.4106 0.4500 0.3967 -0.0046 -0.0010 -0.0211 409 ILE C CA 8537 C C . ILE C 342 ? 0.3972 0.4376 0.3855 -0.0034 -0.0016 -0.0209 409 ILE C C 8538 O O . ILE C 342 ? 0.4468 0.4877 0.4358 -0.0028 -0.0023 -0.0204 409 ILE C O 8539 C CB . ILE C 342 ? 0.4562 0.4973 0.4436 -0.0055 -0.0003 -0.0219 409 ILE C CB 8540 C CG1 . ILE C 342 ? 0.5189 0.5609 0.5074 -0.0058 0.0006 -0.0228 409 ILE C CG1 8541 C CG2 . ILE C 342 ? 0.5555 0.5987 0.5453 -0.0050 -0.0009 -0.0219 409 ILE C CG2 8542 C CD1 . ILE C 342 ? 0.5050 0.5490 0.4947 -0.0069 0.0014 -0.0238 409 ILE C CD1 8543 N N . PHE C 343 ? 0.4304 0.4709 0.4193 -0.0032 -0.0012 -0.0212 410 PHE C N 8544 C CA . PHE C 343 ? 0.4563 0.4978 0.4472 -0.0022 -0.0016 -0.0213 410 PHE C CA 8545 C C . PHE C 343 ? 0.4279 0.4701 0.4199 -0.0023 -0.0007 -0.0223 410 PHE C C 8546 O O . PHE C 343 ? 0.4262 0.4677 0.4169 -0.0032 0.0002 -0.0228 410 PHE C O 8547 C CB . PHE C 343 ? 0.4238 0.4642 0.4140 -0.0016 -0.0024 -0.0205 410 PHE C CB 8548 C CG . PHE C 343 ? 0.4679 0.5068 0.4564 -0.0019 -0.0021 -0.0204 410 PHE C CG 8549 C CD1 . PHE C 343 ? 0.4631 0.5014 0.4518 -0.0017 -0.0020 -0.0206 410 PHE C CD1 8550 C CD2 . PHE C 343 ? 0.4889 0.5265 0.4754 -0.0025 -0.0020 -0.0201 410 PHE C CD2 8551 C CE1 . PHE C 343 ? 0.4574 0.4942 0.4443 -0.0022 -0.0019 -0.0205 410 PHE C CE1 8552 C CE2 . PHE C 343 ? 0.4915 0.5276 0.4763 -0.0029 -0.0020 -0.0199 410 PHE C CE2 8553 C CZ . PHE C 343 ? 0.4673 0.5031 0.4523 -0.0028 -0.0019 -0.0201 410 PHE C CZ 8554 N N . SER C 344 ? 0.4276 0.4709 0.4218 -0.0013 -0.0010 -0.0226 411 SER C N 8555 C CA . SER C 344 ? 0.4457 0.4899 0.4413 -0.0011 -0.0001 -0.0236 411 SER C CA 8556 C C . SER C 344 ? 0.4721 0.5151 0.4676 -0.0002 -0.0004 -0.0236 411 SER C C 8557 O O . SER C 344 ? 0.4634 0.5057 0.4588 0.0004 -0.0015 -0.0228 411 SER C O 8558 C CB . SER C 344 ? 0.4291 0.4760 0.4277 -0.0007 -0.0001 -0.0243 411 SER C CB 8559 O OG . SER C 344 ? 0.4493 0.4973 0.4477 -0.0018 0.0001 -0.0244 411 SER C OG 8560 N N . VAL C 345 ? 0.4869 0.5294 0.4822 -0.0003 0.0006 -0.0244 412 VAL C N 8561 C CA . VAL C 345 ? 0.5275 0.5683 0.5221 0.0002 0.0005 -0.0245 412 VAL C CA 8562 C C . VAL C 345 ? 0.5343 0.5758 0.5305 0.0010 0.0014 -0.0257 412 VAL C C 8563 O O . VAL C 345 ? 0.4655 0.5079 0.4620 0.0003 0.0028 -0.0267 412 VAL C O 8564 C CB . VAL C 345 ? 0.5918 0.6301 0.5832 -0.0007 0.0008 -0.0241 412 VAL C CB 8565 C CG1 . VAL C 345 ? 0.6485 0.6847 0.6387 -0.0003 0.0007 -0.0242 412 VAL C CG1 8566 C CG2 . VAL C 345 ? 0.6269 0.6645 0.6169 -0.0011 -0.0002 -0.0229 412 VAL C CG2 8567 N N . GLU C 346 ? 0.5653 0.6064 0.5626 0.0024 0.0007 -0.0257 413 GLU C N 8568 C CA . GLU C 346 ? 0.6055 0.6475 0.6048 0.0035 0.0014 -0.0269 413 GLU C CA 8569 C C . GLU C 346 ? 0.6026 0.6419 0.5996 0.0034 0.0023 -0.0274 413 GLU C C 8570 O O . GLU C 346 ? 0.5573 0.5941 0.5523 0.0035 0.0015 -0.0267 413 GLU C O 8571 C CB . GLU C 346 ? 0.6109 0.6532 0.6120 0.0052 0.0001 -0.0267 413 GLU C CB 8572 C CG . GLU C 346 ? 0.8298 0.8736 0.8337 0.0067 0.0007 -0.0280 413 GLU C CG 8573 C CD . GLU C 346 ? 0.9417 0.9870 0.9484 0.0083 -0.0007 -0.0278 413 GLU C CD 8574 O OE1 . GLU C 346 ? 1.0170 1.0622 1.0234 0.0082 -0.0022 -0.0267 413 GLU C OE1 8575 O OE2 . GLU C 346 ? 1.0199 1.0665 1.0291 0.0098 -0.0003 -0.0289 413 GLU C OE2 8576 N N . GLY C 347 ? 0.5342 0.5741 0.5313 0.0028 0.0041 -0.0286 414 GLY C N 8577 C CA . GLY C 347 ? 0.5345 0.5718 0.5295 0.0028 0.0051 -0.0293 414 GLY C CA 8578 C C . GLY C 347 ? 0.6011 0.6389 0.5984 0.0047 0.0055 -0.0304 414 GLY C C 8579 O O . GLY C 347 ? 0.6136 0.6538 0.6140 0.0060 0.0047 -0.0304 414 GLY C O 8580 N N . LYS C 348 ? 0.6692 0.7050 0.6650 0.0048 0.0067 -0.0313 415 LYS C N 8581 C CA . LYS C 348 ? 0.7502 0.7863 0.7481 0.0069 0.0072 -0.0325 415 LYS C CA 8582 C C . LYS C 348 ? 0.6341 0.6746 0.6362 0.0075 0.0084 -0.0338 415 LYS C C 8583 O O . LYS C 348 ? 0.6957 0.7381 0.7010 0.0095 0.0080 -0.0343 415 LYS C O 8584 C CB . LYS C 348 ? 0.9186 0.9510 0.9136 0.0071 0.0082 -0.0332 415 LYS C CB 8585 C CG . LYS C 348 ? 1.1933 1.2238 1.1849 0.0050 0.0097 -0.0335 415 LYS C CG 8586 C CD . LYS C 348 ? 1.3118 1.3383 1.3003 0.0053 0.0106 -0.0342 415 LYS C CD 8587 C CE . LYS C 348 ? 1.3758 1.3997 1.3602 0.0030 0.0118 -0.0343 415 LYS C CE 8588 N NZ . LYS C 348 ? 1.3648 1.3894 1.3494 0.0026 0.0143 -0.0361 415 LYS C NZ 8589 N N A SER C 349 ? 0.5523 0.5944 0.5542 0.0058 0.0099 -0.0343 416 SER C N 8590 N N B SER C 349 ? 0.5845 0.6266 0.5864 0.0058 0.0099 -0.0343 416 SER C N 8591 C CA A SER C 349 ? 0.5958 0.6423 0.6016 0.0060 0.0113 -0.0357 416 SER C CA 8592 C CA B SER C 349 ? 0.5965 0.6430 0.6024 0.0061 0.0113 -0.0357 416 SER C CA 8593 C C A SER C 349 ? 0.6096 0.6592 0.6168 0.0046 0.0110 -0.0352 416 SER C C 8594 C C B SER C 349 ? 0.6034 0.6529 0.6106 0.0046 0.0110 -0.0352 416 SER C C 8595 O O A SER C 349 ? 0.6281 0.6817 0.6389 0.0047 0.0118 -0.0361 416 SER C O 8596 O O B SER C 349 ? 0.6065 0.6601 0.6173 0.0048 0.0118 -0.0361 416 SER C O 8597 C CB A SER C 349 ? 0.6351 0.6810 0.6397 0.0052 0.0139 -0.0372 416 SER C CB 8598 C CB B SER C 349 ? 0.6145 0.6605 0.6193 0.0054 0.0139 -0.0373 416 SER C CB 8599 O OG A SER C 349 ? 0.5961 0.6390 0.5962 0.0029 0.0144 -0.0367 416 SER C OG 8600 O OG B SER C 349 ? 0.5858 0.6286 0.5890 0.0066 0.0143 -0.0378 416 SER C OG 8601 N N . CYS C 350 ? 0.5956 0.6433 0.5999 0.0032 0.0100 -0.0337 417 CYS C N 8602 C CA . CYS C 350 ? 0.6021 0.6521 0.6072 0.0018 0.0097 -0.0332 417 CYS C CA 8603 C C . CYS C 350 ? 0.5106 0.5590 0.5137 0.0013 0.0078 -0.0315 417 CYS C C 8604 O O . CYS C 350 ? 0.5402 0.5855 0.5409 0.0016 0.0069 -0.0307 417 CYS C O 8605 C CB . CYS C 350 ? 0.5725 0.6228 0.5759 -0.0003 0.0116 -0.0341 417 CYS C CB 8606 S SG . CYS C 350 ? 0.6397 0.6850 0.6373 -0.0020 0.0121 -0.0335 417 CYS C SG 8607 N N . ILE C 351 ? 0.4917 0.5421 0.4958 0.0006 0.0072 -0.0310 418 ILE C N 8608 C CA . ILE C 351 ? 0.4758 0.5252 0.4785 0.0002 0.0056 -0.0295 418 ILE C CA 8609 C C . ILE C 351 ? 0.4650 0.5128 0.4644 -0.0018 0.0062 -0.0292 418 ILE C C 8610 O O . ILE C 351 ? 0.4222 0.4716 0.4220 -0.0031 0.0073 -0.0298 418 ILE C O 8611 C CB . ILE C 351 ? 0.5089 0.5613 0.5145 0.0005 0.0046 -0.0293 418 ILE C CB 8612 C CG1 . ILE C 351 ? 0.5473 0.6016 0.5565 0.0025 0.0038 -0.0297 418 ILE C CG1 8613 C CG2 . ILE C 351 ? 0.4837 0.5346 0.4875 0.0001 0.0030 -0.0278 418 ILE C CG2 8614 C CD1 . ILE C 351 ? 0.5772 0.6289 0.5854 0.0040 0.0027 -0.0291 418 ILE C CD1 8615 N N . ASN C 352 ? 0.4733 0.5180 0.4696 -0.0021 0.0055 -0.0282 419 ASN C N 8616 C CA . ASN C 352 ? 0.4463 0.4891 0.4393 -0.0038 0.0057 -0.0277 419 ASN C CA 8617 C C . ASN C 352 ? 0.4728 0.5157 0.4654 -0.0040 0.0044 -0.0266 419 ASN C C 8618 O O . ASN C 352 ? 0.5142 0.5580 0.5085 -0.0029 0.0032 -0.0259 419 ASN C O 8619 C CB . ASN C 352 ? 0.4382 0.4777 0.4281 -0.0041 0.0056 -0.0273 419 ASN C CB 8620 C CG . ASN C 352 ? 0.4521 0.4895 0.4385 -0.0059 0.0062 -0.0272 419 ASN C CG 8621 O OD1 . ASN C 352 ? 0.4652 0.5032 0.4511 -0.0071 0.0071 -0.0277 419 ASN C OD1 8622 N ND2 . ASN C 352 ? 0.4391 0.4737 0.4228 -0.0062 0.0056 -0.0265 419 ASN C ND2 8623 N N . ARG C 353 ? 0.4675 0.5097 0.4581 -0.0054 0.0047 -0.0264 420 ARG C N 8624 C CA . ARG C 353 ? 0.4383 0.4802 0.4281 -0.0057 0.0037 -0.0255 420 ARG C CA 8625 C C . ARG C 353 ? 0.4289 0.4678 0.4152 -0.0062 0.0032 -0.0246 420 ARG C C 8626 O O . ARG C 353 ? 0.4244 0.4614 0.4083 -0.0073 0.0040 -0.0250 420 ARG C O 8627 C CB . ARG C 353 ? 0.4555 0.4985 0.4451 -0.0070 0.0044 -0.0260 420 ARG C CB 8628 C CG . ARG C 353 ? 0.4665 0.5130 0.4596 -0.0069 0.0051 -0.0269 420 ARG C CG 8629 C CD . ARG C 353 ? 0.4849 0.5335 0.4812 -0.0053 0.0039 -0.0266 420 ARG C CD 8630 N NE . ARG C 353 ? 0.4762 0.5284 0.4760 -0.0053 0.0045 -0.0276 420 ARG C NE 8631 C CZ . ARG C 353 ? 0.4916 0.5460 0.4947 -0.0039 0.0036 -0.0276 420 ARG C CZ 8632 N NH1 . ARG C 353 ? 0.4518 0.5052 0.4550 -0.0025 0.0022 -0.0267 420 ARG C NH1 8633 N NH2 . ARG C 353 ? 0.4195 0.4774 0.4258 -0.0039 0.0042 -0.0286 420 ARG C NH2 8634 N N . CYS C 354 ? 0.4751 0.5135 0.4613 -0.0055 0.0019 -0.0236 421 CYS C N 8635 C CA . CYS C 354 ? 0.4595 0.4955 0.4430 -0.0056 0.0012 -0.0227 421 CYS C CA 8636 C C . CYS C 354 ? 0.4915 0.5275 0.4746 -0.0055 0.0003 -0.0219 421 CYS C C 8637 O O . CYS C 354 ? 0.4628 0.5004 0.4475 -0.0052 0.0002 -0.0220 421 CYS C O 8638 C CB . CYS C 354 ? 0.5104 0.5460 0.4944 -0.0047 0.0004 -0.0221 421 CYS C CB 8639 S SG . CYS C 354 ? 0.5598 0.5950 0.5440 -0.0046 0.0012 -0.0229 421 CYS C SG 8640 N N . PHE C 355 ? 0.4421 0.4760 0.4227 -0.0057 -0.0001 -0.0212 422 PHE C N 8641 C CA . PHE C 355 ? 0.4325 0.4661 0.4125 -0.0054 -0.0008 -0.0206 422 PHE C CA 8642 C C . PHE C 355 ? 0.4675 0.4997 0.4463 -0.0047 -0.0017 -0.0197 422 PHE C C 8643 O O . PHE C 355 ? 0.4173 0.4486 0.3952 -0.0049 -0.0019 -0.0196 422 PHE C O 8644 C CB . PHE C 355 ? 0.4662 0.4987 0.4442 -0.0065 -0.0003 -0.0209 422 PHE C CB 8645 C CG . PHE C 355 ? 0.5318 0.5616 0.5065 -0.0075 -0.0002 -0.0209 422 PHE C CG 8646 C CD1 . PHE C 355 ? 0.5295 0.5589 0.5035 -0.0086 0.0007 -0.0217 422 PHE C CD1 8647 C CD2 . PHE C 355 ? 0.4953 0.5229 0.4677 -0.0072 -0.0010 -0.0201 422 PHE C CD2 8648 C CE1 . PHE C 355 ? 0.5905 0.6170 0.5611 -0.0096 0.0008 -0.0217 422 PHE C CE1 8649 C CE2 . PHE C 355 ? 0.5144 0.5391 0.4835 -0.0080 -0.0011 -0.0201 422 PHE C CE2 8650 C CZ . PHE C 355 ? 0.4842 0.5083 0.4523 -0.0093 -0.0002 -0.0208 422 PHE C CZ 8651 N N . TYR C 356 ? 0.4523 0.4848 0.4313 -0.0040 -0.0024 -0.0191 423 TYR C N 8652 C CA . TYR C 356 ? 0.4459 0.4777 0.4243 -0.0032 -0.0032 -0.0183 423 TYR C CA 8653 C C . TYR C 356 ? 0.4641 0.4943 0.4404 -0.0032 -0.0034 -0.0181 423 TYR C C 8654 O O . TYR C 356 ? 0.4352 0.4652 0.4110 -0.0036 -0.0030 -0.0184 423 TYR C O 8655 C CB . TYR C 356 ? 0.4582 0.4918 0.4388 -0.0022 -0.0037 -0.0178 423 TYR C CB 8656 C CG . TYR C 356 ? 0.4665 0.5008 0.4477 -0.0018 -0.0036 -0.0178 423 TYR C CG 8657 C CD1 . TYR C 356 ? 0.4494 0.4850 0.4322 -0.0020 -0.0033 -0.0182 423 TYR C CD1 8658 C CD2 . TYR C 356 ? 0.4628 0.4964 0.4430 -0.0014 -0.0038 -0.0174 423 TYR C CD2 8659 C CE1 . TYR C 356 ? 0.4493 0.4855 0.4326 -0.0020 -0.0033 -0.0182 423 TYR C CE1 8660 C CE2 . TYR C 356 ? 0.5029 0.5368 0.4833 -0.0013 -0.0037 -0.0174 423 TYR C CE2 8661 C CZ . TYR C 356 ? 0.5106 0.5458 0.4925 -0.0017 -0.0035 -0.0178 423 TYR C CZ 8662 O OH . TYR C 356 ? 0.6060 0.6412 0.5878 -0.0017 -0.0036 -0.0178 423 TYR C OH 8663 N N . VAL C 357 ? 0.4449 0.4737 0.4198 -0.0027 -0.0041 -0.0175 424 VAL C N 8664 C CA . VAL C 357 ? 0.4306 0.4576 0.4034 -0.0023 -0.0045 -0.0172 424 VAL C CA 8665 C C . VAL C 357 ? 0.4456 0.4735 0.4196 -0.0008 -0.0052 -0.0165 424 VAL C C 8666 O O . VAL C 357 ? 0.4762 0.5048 0.4510 -0.0004 -0.0057 -0.0162 424 VAL C O 8667 C CB . VAL C 357 ? 0.4478 0.4719 0.4175 -0.0029 -0.0048 -0.0172 424 VAL C CB 8668 C CG1 . VAL C 357 ? 0.4536 0.4755 0.4211 -0.0025 -0.0051 -0.0170 424 VAL C CG1 8669 C CG2 . VAL C 357 ? 0.4954 0.5188 0.4640 -0.0046 -0.0039 -0.0179 424 VAL C CG2 8670 N N . GLU C 358 ? 0.4543 0.4823 0.4284 -0.0001 -0.0051 -0.0164 425 GLU C N 8671 C CA . GLU C 358 ? 0.4731 0.5019 0.4481 0.0012 -0.0055 -0.0160 425 GLU C CA 8672 C C . GLU C 358 ? 0.4437 0.4701 0.4165 0.0019 -0.0061 -0.0157 425 GLU C C 8673 O O . GLU C 358 ? 0.5138 0.5378 0.4840 0.0015 -0.0061 -0.0159 425 GLU C O 8674 C CB . GLU C 358 ? 0.4897 0.5188 0.4650 0.0016 -0.0050 -0.0160 425 GLU C CB 8675 C CG . GLU C 358 ? 0.4937 0.5238 0.4700 0.0030 -0.0051 -0.0157 425 GLU C CG 8676 C CD . GLU C 358 ? 0.4850 0.5144 0.4605 0.0033 -0.0046 -0.0158 425 GLU C CD 8677 O OE1 . GLU C 358 ? 0.4460 0.4734 0.4194 0.0026 -0.0044 -0.0161 425 GLU C OE1 8678 O OE2 . GLU C 358 ? 0.4959 0.5268 0.4728 0.0041 -0.0044 -0.0157 425 GLU C OE2 8679 N N . LEU C 359 ? 0.4673 0.4947 0.4411 0.0028 -0.0069 -0.0153 426 LEU C N 8680 C CA . LEU C 359 ? 0.4242 0.4497 0.3963 0.0038 -0.0078 -0.0149 426 LEU C CA 8681 C C . LEU C 359 ? 0.4619 0.4887 0.4354 0.0055 -0.0079 -0.0147 426 LEU C C 8682 O O . LEU C 359 ? 0.4490 0.4786 0.4253 0.0062 -0.0081 -0.0144 426 LEU C O 8683 C CB . LEU C 359 ? 0.4346 0.4605 0.4071 0.0035 -0.0087 -0.0146 426 LEU C CB 8684 C CG . LEU C 359 ? 0.4727 0.4979 0.4443 0.0017 -0.0083 -0.0149 426 LEU C CG 8685 C CD1 . LEU C 359 ? 0.5237 0.5493 0.4956 0.0013 -0.0091 -0.0146 426 LEU C CD1 8686 C CD2 . LEU C 359 ? 0.5088 0.5307 0.4770 0.0007 -0.0080 -0.0153 426 LEU C CD2 8687 N N . ILE C 360 ? 0.4466 0.4714 0.4183 0.0062 -0.0075 -0.0149 427 ILE C N 8688 C CA . ILE C 360 ? 0.4926 0.5184 0.4655 0.0078 -0.0072 -0.0148 427 ILE C CA 8689 C C . ILE C 360 ? 0.4559 0.4812 0.4286 0.0095 -0.0082 -0.0145 427 ILE C C 8690 O O . ILE C 360 ? 0.5188 0.5409 0.4887 0.0096 -0.0089 -0.0144 427 ILE C O 8691 C CB . ILE C 360 ? 0.4587 0.4823 0.4294 0.0078 -0.0065 -0.0152 427 ILE C CB 8692 C CG1 . ILE C 360 ? 0.4904 0.5147 0.4614 0.0061 -0.0057 -0.0154 427 ILE C CG1 8693 C CG2 . ILE C 360 ? 0.4868 0.5112 0.4584 0.0094 -0.0061 -0.0152 427 ILE C CG2 8694 C CD1 . ILE C 360 ? 0.4504 0.4724 0.4190 0.0057 -0.0051 -0.0158 427 ILE C CD1 8695 N N . ARG C 361 ? 0.4462 0.4745 0.4219 0.0108 -0.0083 -0.0143 428 ARG C N 8696 C CA . ARG C 361 ? 0.4810 0.5095 0.4572 0.0128 -0.0091 -0.0141 428 ARG C CA 8697 C C . ARG C 361 ? 0.4859 0.5158 0.4636 0.0145 -0.0083 -0.0144 428 ARG C C 8698 O O . ARG C 361 ? 0.4926 0.5244 0.4717 0.0140 -0.0071 -0.0146 428 ARG C O 8699 C CB . ARG C 361 ? 0.4774 0.5090 0.4564 0.0128 -0.0101 -0.0137 428 ARG C CB 8700 C CG . ARG C 361 ? 0.4872 0.5176 0.4650 0.0111 -0.0109 -0.0134 428 ARG C CG 8701 C CD . ARG C 361 ? 0.4886 0.5143 0.4623 0.0110 -0.0118 -0.0134 428 ARG C CD 8702 N NE . ARG C 361 ? 0.4832 0.5079 0.4565 0.0129 -0.0131 -0.0131 428 ARG C NE 8703 C CZ . ARG C 361 ? 0.5286 0.5538 0.5024 0.0133 -0.0146 -0.0126 428 ARG C CZ 8704 N NH1 . ARG C 361 ? 0.5202 0.5466 0.4947 0.0118 -0.0152 -0.0123 428 ARG C NH1 8705 N NH2 . ARG C 361 ? 0.5821 0.6065 0.5559 0.0154 -0.0158 -0.0124 428 ARG C NH2 8706 N N . GLY C 362 ? 0.4951 0.5237 0.4721 0.0165 -0.0089 -0.0144 429 GLY C N 8707 C CA . GLY C 362 ? 0.5351 0.5647 0.5132 0.0183 -0.0080 -0.0147 429 GLY C CA 8708 C C . GLY C 362 ? 0.5165 0.5420 0.4909 0.0186 -0.0072 -0.0151 429 GLY C C 8709 O O . GLY C 362 ? 0.5404 0.5617 0.5112 0.0182 -0.0079 -0.0150 429 GLY C O 8710 N N . ARG C 363 ? 0.4685 0.4948 0.4435 0.0192 -0.0059 -0.0155 430 ARG C N 8711 C CA . ARG C 363 ? 0.5598 0.5821 0.5313 0.0197 -0.0052 -0.0159 430 ARG C CA 8712 C C . ARG C 363 ? 0.5232 0.5430 0.4918 0.0173 -0.0049 -0.0159 430 ARG C C 8713 O O . ARG C 363 ? 0.5623 0.5845 0.5326 0.0156 -0.0046 -0.0158 430 ARG C O 8714 C CB . ARG C 363 ? 0.5542 0.5780 0.5268 0.0208 -0.0036 -0.0164 430 ARG C CB 8715 C CG . ARG C 363 ? 0.5763 0.6030 0.5520 0.0232 -0.0035 -0.0166 430 ARG C CG 8716 C CD . ARG C 363 ? 0.7256 0.7487 0.6989 0.0255 -0.0042 -0.0167 430 ARG C CD 8717 N NE . ARG C 363 ? 0.8254 0.8514 0.8018 0.0281 -0.0042 -0.0169 430 ARG C NE 8718 C CZ . ARG C 363 ? 0.7931 0.8183 0.7692 0.0304 -0.0033 -0.0175 430 ARG C CZ 8719 N NH1 . ARG C 363 ? 0.8041 0.8255 0.7765 0.0300 -0.0021 -0.0179 430 ARG C NH1 8720 N NH2 . ARG C 363 ? 0.8303 0.8585 0.8097 0.0329 -0.0034 -0.0177 430 ARG C NH2 8721 N N . PRO C 364 ? 0.5884 0.6034 0.5527 0.0172 -0.0049 -0.0161 431 PRO C N 8722 C CA . PRO C 364 ? 0.5845 0.5957 0.5458 0.0192 -0.0052 -0.0163 431 PRO C CA 8723 C C . PRO C 364 ? 0.5924 0.6011 0.5521 0.0200 -0.0068 -0.0159 431 PRO C C 8724 O O . PRO C 364 ? 0.5984 0.6047 0.5565 0.0221 -0.0073 -0.0160 431 PRO C O 8725 C CB . PRO C 364 ? 0.5798 0.5867 0.5367 0.0179 -0.0046 -0.0165 431 PRO C CB 8726 C CG . PRO C 364 ? 0.5813 0.5887 0.5380 0.0151 -0.0048 -0.0163 431 PRO C CG 8727 C CD . PRO C 364 ? 0.6253 0.6381 0.5869 0.0147 -0.0047 -0.0161 431 PRO C CD 8728 N N . GLN C 365 ? 0.6023 0.6114 0.5621 0.0183 -0.0077 -0.0156 432 GLN C N 8729 C CA . GLN C 365 ? 0.5769 0.5829 0.5342 0.0187 -0.0093 -0.0152 432 GLN C CA 8730 C C . GLN C 365 ? 0.5619 0.5700 0.5220 0.0210 -0.0104 -0.0149 432 GLN C C 8731 O O . GLN C 365 ? 0.5948 0.5995 0.5524 0.0223 -0.0117 -0.0148 432 GLN C O 8732 C CB . GLN C 365 ? 0.6308 0.6367 0.5875 0.0161 -0.0098 -0.0150 432 GLN C CB 8733 C CG . GLN C 365 ? 0.7297 0.7331 0.6832 0.0137 -0.0089 -0.0152 432 GLN C CG 8734 C CD . GLN C 365 ? 0.8224 0.8198 0.7705 0.0138 -0.0091 -0.0154 432 GLN C CD 8735 O OE1 . GLN C 365 ? 0.7561 0.7519 0.7020 0.0124 -0.0082 -0.0157 432 GLN C OE1 8736 N NE2 . GLN C 365 ? 0.7793 0.7735 0.7251 0.0155 -0.0103 -0.0152 432 GLN C NE2 8737 N N . GLU C 366 ? 0.5479 0.5614 0.5129 0.0215 -0.0101 -0.0149 433 GLU C N 8738 C CA . GLU C 366 ? 0.5400 0.5563 0.5082 0.0235 -0.0112 -0.0146 433 GLU C CA 8739 C C . GLU C 366 ? 0.5809 0.6008 0.5527 0.0257 -0.0102 -0.0150 433 GLU C C 8740 O O . GLU C 366 ? 0.5875 0.6116 0.5626 0.0250 -0.0090 -0.0152 433 GLU C O 8741 C CB . GLU C 366 ? 0.5581 0.5780 0.5291 0.0219 -0.0119 -0.0142 433 GLU C CB 8742 C CG . GLU C 366 ? 0.5879 0.6043 0.5554 0.0198 -0.0128 -0.0138 433 GLU C CG 8743 C CD . GLU C 366 ? 0.6883 0.7078 0.6582 0.0180 -0.0132 -0.0135 433 GLU C CD 8744 O OE1 . GLU C 366 ? 0.7749 0.7937 0.7443 0.0181 -0.0148 -0.0130 433 GLU C OE1 8745 O OE2 . GLU C 366 ? 0.5767 0.5990 0.5486 0.0165 -0.0120 -0.0137 433 GLU C OE2 8746 N N . THR C 367 ? 0.5742 0.5920 0.5449 0.0284 -0.0105 -0.0152 434 THR C N 8747 C CA . THR C 367 ? 0.6576 0.6778 0.6307 0.0305 -0.0092 -0.0158 434 THR C CA 8748 C C . THR C 367 ? 0.6478 0.6731 0.6261 0.0327 -0.0098 -0.0158 434 THR C C 8749 O O . THR C 367 ? 0.6934 0.7214 0.6743 0.0344 -0.0086 -0.0163 434 THR C O 8750 C CB . THR C 367 ? 0.6970 0.7119 0.6660 0.0324 -0.0089 -0.0162 434 THR C CB 8751 O OG1 . THR C 367 ? 0.6653 0.6768 0.6322 0.0340 -0.0109 -0.0159 434 THR C OG1 8752 C CG2 . THR C 367 ? 0.6908 0.7011 0.6549 0.0302 -0.0080 -0.0164 434 THR C CG2 8753 N N . ARG C 368 ? 0.5969 0.6239 0.5769 0.0324 -0.0116 -0.0151 435 ARG C N 8754 C CA . ARG C 368 ? 0.6890 0.7217 0.6743 0.0339 -0.0121 -0.0151 435 ARG C CA 8755 C C . ARG C 368 ? 0.6206 0.6591 0.6101 0.0327 -0.0102 -0.0153 435 ARG C C 8756 O O . ARG C 368 ? 0.5897 0.6330 0.5836 0.0341 -0.0098 -0.0156 435 ARG C O 8757 C CB . ARG C 368 ? 0.6726 0.7060 0.6587 0.0335 -0.0144 -0.0143 435 ARG C CB 8758 C CG . ARG C 368 ? 0.6699 0.7101 0.6621 0.0341 -0.0148 -0.0141 435 ARG C CG 8759 C CD . ARG C 368 ? 0.6920 0.7331 0.6851 0.0339 -0.0173 -0.0133 435 ARG C CD 8760 N NE . ARG C 368 ? 0.7115 0.7594 0.7106 0.0349 -0.0176 -0.0133 435 ARG C NE 8761 C CZ . ARG C 368 ? 0.7287 0.7817 0.7313 0.0329 -0.0169 -0.0132 435 ARG C CZ 8762 N NH1 . ARG C 368 ? 0.6778 0.7299 0.6787 0.0298 -0.0161 -0.0130 435 ARG C NH1 8763 N NH2 . ARG C 368 ? 0.7754 0.8345 0.7833 0.0340 -0.0171 -0.0132 435 ARG C NH2 8764 N N . VAL C 369 ? 0.5463 0.5842 0.5345 0.0299 -0.0093 -0.0153 436 VAL C N 8765 C CA . VAL C 369 ? 0.5390 0.5814 0.5302 0.0284 -0.0078 -0.0155 436 VAL C CA 8766 C C . VAL C 369 ? 0.5658 0.6063 0.5549 0.0279 -0.0058 -0.0161 436 VAL C C 8767 O O . VAL C 369 ? 0.5351 0.5706 0.5200 0.0282 -0.0057 -0.0162 436 VAL C O 8768 C CB . VAL C 369 ? 0.5136 0.5572 0.5052 0.0255 -0.0083 -0.0149 436 VAL C CB 8769 C CG1 . VAL C 369 ? 0.5097 0.5550 0.5031 0.0256 -0.0103 -0.0143 436 VAL C CG1 8770 C CG2 . VAL C 369 ? 0.5099 0.5486 0.4970 0.0236 -0.0082 -0.0148 436 VAL C CG2 8771 N N . TRP C 370 ? 0.5528 0.5971 0.5445 0.0271 -0.0042 -0.0164 437 TRP C N 8772 C CA . TRP C 370 ? 0.6005 0.6433 0.5903 0.0266 -0.0023 -0.0169 437 TRP C CA 8773 C C . TRP C 370 ? 0.5669 0.6091 0.5554 0.0236 -0.0018 -0.0167 437 TRP C C 8774 O O . TRP C 370 ? 0.6435 0.6844 0.6304 0.0229 -0.0004 -0.0170 437 TRP C O 8775 C CB . TRP C 370 ? 0.6368 0.6839 0.6301 0.0278 -0.0006 -0.0175 437 TRP C CB 8776 C CG . TRP C 370 ? 0.7327 0.7797 0.7268 0.0310 -0.0007 -0.0180 437 TRP C CG 8777 C CD1 . TRP C 370 ? 0.8150 0.8653 0.8126 0.0329 -0.0019 -0.0178 437 TRP C CD1 8778 C CD2 . TRP C 370 ? 0.8381 0.8813 0.8293 0.0329 0.0002 -0.0186 437 TRP C CD2 8779 N NE1 . TRP C 370 ? 0.8491 0.8981 0.8465 0.0359 -0.0017 -0.0184 437 TRP C NE1 8780 C CE2 . TRP C 370 ? 0.8961 0.9404 0.8893 0.0360 -0.0003 -0.0189 437 TRP C CE2 8781 C CE3 . TRP C 370 ? 0.8248 0.8635 0.8116 0.0321 0.0014 -0.0190 437 TRP C CE3 8782 C CZ2 . TRP C 370 ? 0.8906 0.9317 0.8816 0.0386 0.0003 -0.0196 437 TRP C CZ2 8783 C CZ3 . TRP C 370 ? 0.9515 0.9869 0.9360 0.0345 0.0021 -0.0197 437 TRP C CZ3 8784 C CH2 . TRP C 370 ? 0.9288 0.9652 0.9152 0.0378 0.0016 -0.0200 437 TRP C CH2 8785 N N . TRP C 371 ? 0.4941 0.5375 0.4836 0.0220 -0.0030 -0.0161 438 TRP C N 8786 C CA . TRP C 371 ? 0.4134 0.4569 0.4022 0.0194 -0.0026 -0.0159 438 TRP C CA 8787 C C . TRP C 371 ? 0.4563 0.4956 0.4417 0.0182 -0.0036 -0.0156 438 TRP C C 8788 O O . TRP C 371 ? 0.4673 0.5037 0.4507 0.0192 -0.0046 -0.0155 438 TRP C O 8789 C CB . TRP C 371 ? 0.4179 0.4658 0.4102 0.0183 -0.0031 -0.0155 438 TRP C CB 8790 C CG . TRP C 371 ? 0.4813 0.5304 0.4752 0.0190 -0.0047 -0.0151 438 TRP C CG 8791 C CD1 . TRP C 371 ? 0.4526 0.5054 0.4499 0.0205 -0.0051 -0.0151 438 TRP C CD1 8792 C CD2 . TRP C 371 ? 0.4244 0.4713 0.4167 0.0181 -0.0062 -0.0146 438 TRP C CD2 8793 N NE1 . TRP C 371 ? 0.5294 0.5823 0.5271 0.0206 -0.0069 -0.0145 438 TRP C NE1 8794 C CE2 . TRP C 371 ? 0.4820 0.5311 0.4765 0.0191 -0.0076 -0.0143 438 TRP C CE2 8795 C CE3 . TRP C 371 ? 0.4385 0.4819 0.4276 0.0165 -0.0065 -0.0145 438 TRP C CE3 8796 C CZ2 . TRP C 371 ? 0.4473 0.4946 0.4405 0.0186 -0.0093 -0.0138 438 TRP C CZ2 8797 C CZ3 . TRP C 371 ? 0.4839 0.5258 0.4720 0.0160 -0.0080 -0.0141 438 TRP C CZ3 8798 C CH2 . TRP C 371 ? 0.4471 0.4908 0.4370 0.0169 -0.0094 -0.0137 438 TRP C CH2 8799 N N . THR C 372 ? 0.4661 0.5049 0.4506 0.0161 -0.0032 -0.0156 439 THR C N 8800 C CA . THR C 372 ? 0.4699 0.5057 0.4518 0.0147 -0.0039 -0.0154 439 THR C CA 8801 C C . THR C 372 ? 0.4616 0.4999 0.4454 0.0129 -0.0041 -0.0151 439 THR C C 8802 O O . THR C 372 ? 0.4283 0.4686 0.4134 0.0122 -0.0032 -0.0152 439 THR C O 8803 C CB . THR C 372 ? 0.4806 0.5131 0.4593 0.0141 -0.0031 -0.0157 439 THR C CB 8804 O OG1 . THR C 372 ? 0.5141 0.5438 0.4907 0.0158 -0.0029 -0.0160 439 THR C OG1 8805 C CG2 . THR C 372 ? 0.4893 0.5193 0.4658 0.0124 -0.0037 -0.0156 439 THR C CG2 8806 N N . SER C 373 ? 0.4061 0.4438 0.3896 0.0120 -0.0051 -0.0148 440 SER C N 8807 C CA . SER C 373 ? 0.4018 0.4412 0.3866 0.0103 -0.0052 -0.0146 440 SER C CA 8808 C C . SER C 373 ? 0.4223 0.4596 0.4053 0.0093 -0.0060 -0.0145 440 SER C C 8809 O O . SER C 373 ? 0.4937 0.5279 0.4742 0.0097 -0.0064 -0.0146 440 SER C O 8810 C CB . SER C 373 ? 0.4253 0.4685 0.4132 0.0105 -0.0056 -0.0143 440 SER C CB 8811 O OG . SER C 373 ? 0.3573 0.4021 0.3464 0.0089 -0.0055 -0.0142 440 SER C OG 8812 N N . ASN C 374 ? 0.3823 0.4206 0.3662 0.0079 -0.0062 -0.0144 441 ASN C N 8813 C CA . ASN C 374 ? 0.4527 0.4889 0.4348 0.0069 -0.0068 -0.0144 441 ASN C CA 8814 C C . ASN C 374 ? 0.4492 0.4869 0.4326 0.0059 -0.0073 -0.0141 441 ASN C C 8815 O O . ASN C 374 ? 0.4466 0.4868 0.4321 0.0057 -0.0071 -0.0140 441 ASN C O 8816 C CB . ASN C 374 ? 0.4154 0.4500 0.3960 0.0058 -0.0061 -0.0147 441 ASN C CB 8817 C CG . ASN C 374 ? 0.4322 0.4686 0.4144 0.0049 -0.0056 -0.0148 441 ASN C CG 8818 O OD1 . ASN C 374 ? 0.4719 0.5098 0.4552 0.0051 -0.0051 -0.0148 441 ASN C OD1 8819 N ND2 . ASN C 374 ? 0.4476 0.4841 0.4299 0.0038 -0.0058 -0.0149 441 ASN C ND2 8820 N N . SER C 375 ? 0.4621 0.4980 0.4439 0.0052 -0.0079 -0.0141 442 SER C N 8821 C CA . SER C 375 ? 0.4990 0.5355 0.4812 0.0039 -0.0081 -0.0141 442 SER C CA 8822 C C . SER C 375 ? 0.4754 0.5099 0.4559 0.0027 -0.0075 -0.0145 442 SER C C 8823 O O . SER C 375 ? 0.4728 0.5059 0.4521 0.0028 -0.0070 -0.0148 442 SER C O 8824 C CB . SER C 375 ? 0.5026 0.5390 0.4846 0.0039 -0.0093 -0.0137 442 SER C CB 8825 O OG . SER C 375 ? 0.6038 0.6373 0.5832 0.0037 -0.0097 -0.0137 442 SER C OG 8826 N N . ILE C 376 ? 0.4645 0.4991 0.4451 0.0016 -0.0075 -0.0146 443 ILE C N 8827 C CA . ILE C 376 ? 0.5022 0.5353 0.4815 0.0006 -0.0069 -0.0152 443 ILE C CA 8828 C C . ILE C 376 ? 0.4506 0.4822 0.4284 -0.0004 -0.0072 -0.0153 443 ILE C C 8829 O O . ILE C 376 ? 0.4347 0.4668 0.4128 -0.0005 -0.0079 -0.0149 443 ILE C O 8830 C CB . ILE C 376 ? 0.5673 0.6017 0.5481 0.0001 -0.0062 -0.0155 443 ILE C CB 8831 C CG1 . ILE C 376 ? 0.6353 0.6712 0.6175 0.0000 -0.0065 -0.0153 443 ILE C CG1 8832 C CG2 . ILE C 376 ? 0.6474 0.6827 0.6291 0.0009 -0.0059 -0.0155 443 ILE C CG2 8833 C CD1 . ILE C 376 ? 0.7421 0.7787 0.7254 -0.0004 -0.0059 -0.0156 443 ILE C CD1 8834 N N . VAL C 377 ? 0.4153 0.4452 0.3914 -0.0012 -0.0066 -0.0158 444 VAL C N 8835 C CA . VAL C 377 ? 0.4793 0.5077 0.4539 -0.0023 -0.0065 -0.0161 444 VAL C CA 8836 C C . VAL C 377 ? 0.4373 0.4660 0.4123 -0.0031 -0.0053 -0.0169 444 VAL C C 8837 O O . VAL C 377 ? 0.4449 0.4739 0.4202 -0.0029 -0.0048 -0.0172 444 VAL C O 8838 C CB . VAL C 377 ? 0.5027 0.5283 0.4742 -0.0027 -0.0071 -0.0160 444 VAL C CB 8839 C CG1 . VAL C 377 ? 0.5270 0.5510 0.4969 -0.0029 -0.0065 -0.0163 444 VAL C CG1 8840 C CG2 . VAL C 377 ? 0.5567 0.5806 0.5264 -0.0041 -0.0070 -0.0162 444 VAL C CG2 8841 N N . VAL C 378 ? 0.4276 0.4563 0.4028 -0.0038 -0.0050 -0.0173 445 VAL C N 8842 C CA . VAL C 378 ? 0.4227 0.4522 0.3989 -0.0043 -0.0039 -0.0180 445 VAL C CA 8843 C C . VAL C 378 ? 0.4507 0.4785 0.4250 -0.0055 -0.0033 -0.0187 445 VAL C C 8844 O O . VAL C 378 ? 0.4812 0.5077 0.4542 -0.0059 -0.0037 -0.0184 445 VAL C O 8845 C CB . VAL C 378 ? 0.4678 0.4991 0.4463 -0.0037 -0.0040 -0.0179 445 VAL C CB 8846 C CG1 . VAL C 378 ? 0.4641 0.4964 0.4440 -0.0038 -0.0031 -0.0187 445 VAL C CG1 8847 C CG2 . VAL C 378 ? 0.4581 0.4908 0.4381 -0.0027 -0.0047 -0.0172 445 VAL C CG2 8848 N N . PHE C 379 ? 0.4775 0.5053 0.4517 -0.0061 -0.0022 -0.0195 446 PHE C N 8849 C CA . PHE C 379 ? 0.4364 0.4628 0.4089 -0.0073 -0.0012 -0.0203 446 PHE C CA 8850 C C . PHE C 379 ? 0.4903 0.5187 0.4652 -0.0073 0.0000 -0.0212 446 PHE C C 8851 O O . PHE C 379 ? 0.4766 0.5070 0.4537 -0.0066 0.0000 -0.0212 446 PHE C O 8852 C CB . PHE C 379 ? 0.4729 0.4975 0.4428 -0.0084 -0.0008 -0.0205 446 PHE C CB 8853 C CG . PHE C 379 ? 0.5370 0.5587 0.5037 -0.0089 -0.0017 -0.0199 446 PHE C CG 8854 C CD1 . PHE C 379 ? 0.5403 0.5619 0.5071 -0.0078 -0.0032 -0.0189 446 PHE C CD1 8855 C CD2 . PHE C 379 ? 0.6247 0.6439 0.5883 -0.0104 -0.0012 -0.0204 446 PHE C CD2 8856 C CE1 . PHE C 379 ? 0.5504 0.5696 0.5145 -0.0081 -0.0042 -0.0183 446 PHE C CE1 8857 C CE2 . PHE C 379 ? 0.6034 0.6198 0.5639 -0.0108 -0.0023 -0.0197 446 PHE C CE2 8858 C CZ . PHE C 379 ? 0.6138 0.6303 0.5747 -0.0096 -0.0039 -0.0187 446 PHE C CZ 8859 N N . CYS C 380 ? 0.4406 0.4683 0.4148 -0.0080 0.0009 -0.0220 447 CYS C N 8860 C CA . CYS C 380 ? 0.4562 0.4860 0.4329 -0.0078 0.0020 -0.0230 447 CYS C CA 8861 C C . CYS C 380 ? 0.4624 0.4915 0.4378 -0.0091 0.0036 -0.0241 447 CYS C C 8862 O O . CYS C 380 ? 0.4511 0.4775 0.4232 -0.0103 0.0038 -0.0241 447 CYS C O 8863 C CB . CYS C 380 ? 0.4342 0.4641 0.4120 -0.0069 0.0018 -0.0230 447 CYS C CB 8864 S SG . CYS C 380 ? 0.5630 0.5948 0.5435 -0.0053 0.0005 -0.0221 447 CYS C SG 8865 N N . GLY C 381 ? 0.4673 0.4987 0.4450 -0.0090 0.0046 -0.0250 448 GLY C N 8866 C CA . GLY C 381 ? 0.4026 0.4340 0.3796 -0.0103 0.0064 -0.0263 448 GLY C CA 8867 C C . GLY C 381 ? 0.4288 0.4584 0.4042 -0.0107 0.0072 -0.0269 448 GLY C C 8868 O O . GLY C 381 ? 0.4530 0.4826 0.4295 -0.0096 0.0068 -0.0267 448 GLY C O 8869 N N . THR C 382 ? 0.3989 0.4265 0.3713 -0.0124 0.0083 -0.0275 449 THR C N 8870 C CA . THR C 382 ? 0.4506 0.4763 0.4211 -0.0131 0.0094 -0.0282 449 THR C CA 8871 C C . THR C 382 ? 0.4302 0.4565 0.4004 -0.0145 0.0116 -0.0297 449 THR C C 8872 O O . THR C 382 ? 0.4824 0.5092 0.4519 -0.0157 0.0121 -0.0299 449 THR C O 8873 C CB . THR C 382 ? 0.4896 0.5111 0.4555 -0.0141 0.0083 -0.0273 449 THR C CB 8874 O OG1 . THR C 382 ? 0.4693 0.4887 0.4330 -0.0149 0.0094 -0.0280 449 THR C OG1 8875 C CG2 . THR C 382 ? 0.5186 0.5383 0.4814 -0.0158 0.0083 -0.0271 449 THR C CG2 8876 N N . SER C 383 ? 0.4413 0.4674 0.4116 -0.0144 0.0130 -0.0308 450 SER C N 8877 C CA . SER C 383 ? 0.4902 0.5164 0.4595 -0.0160 0.0153 -0.0323 450 SER C CA 8878 C C . SER C 383 ? 0.5068 0.5286 0.4710 -0.0178 0.0159 -0.0325 450 SER C C 8879 O O . SER C 383 ? 0.5474 0.5688 0.5102 -0.0192 0.0180 -0.0338 450 SER C O 8880 C CB . SER C 383 ? 0.4951 0.5246 0.4685 -0.0148 0.0169 -0.0337 450 SER C CB 8881 O OG . SER C 383 ? 0.4905 0.5181 0.4631 -0.0139 0.0170 -0.0339 450 SER C OG 8882 N N . GLY C 384 ? 0.4807 0.4994 0.4420 -0.0178 0.0141 -0.0311 451 GLY C N 8883 C CA . GLY C 384 ? 0.5467 0.5608 0.5027 -0.0196 0.0143 -0.0311 451 GLY C CA 8884 C C . GLY C 384 ? 0.5375 0.5491 0.4896 -0.0214 0.0136 -0.0304 451 GLY C C 8885 O O . GLY C 384 ? 0.5505 0.5637 0.5035 -0.0219 0.0140 -0.0306 451 GLY C O 8886 N N . THR C 385 ? 0.5657 0.5731 0.5134 -0.0224 0.0124 -0.0296 452 THR C N 8887 C CA . THR C 385 ? 0.5049 0.5093 0.4486 -0.0239 0.0113 -0.0288 452 THR C CA 8888 C C . THR C 385 ? 0.5297 0.5332 0.4733 -0.0226 0.0085 -0.0270 452 THR C C 8889 O O . THR C 385 ? 0.5355 0.5403 0.4814 -0.0211 0.0075 -0.0264 452 THR C O 8890 C CB . THR C 385 ? 0.4940 0.4939 0.4320 -0.0263 0.0122 -0.0293 452 THR C CB 8891 O OG1 . THR C 385 ? 0.5285 0.5261 0.4648 -0.0262 0.0115 -0.0289 452 THR C OG1 8892 C CG2 . THR C 385 ? 0.4903 0.4915 0.4287 -0.0276 0.0153 -0.0312 452 THR C CG2 8893 N N . TYR C 386 ? 0.4838 0.4852 0.4246 -0.0234 0.0073 -0.0262 453 TYR C N 8894 C CA . TYR C 386 ? 0.5181 0.5191 0.4591 -0.0221 0.0047 -0.0246 453 TYR C CA 8895 C C . TYR C 386 ? 0.5239 0.5208 0.4600 -0.0235 0.0036 -0.0240 453 TYR C C 8896 O O . TYR C 386 ? 0.5042 0.4990 0.4371 -0.0254 0.0049 -0.0247 453 TYR C O 8897 C CB . TYR C 386 ? 0.5263 0.5314 0.4721 -0.0202 0.0043 -0.0243 453 TYR C CB 8898 C CG . TYR C 386 ? 0.5256 0.5322 0.4722 -0.0208 0.0057 -0.0251 453 TYR C CG 8899 C CD1 . TYR C 386 ? 0.4752 0.4797 0.4191 -0.0216 0.0050 -0.0247 453 TYR C CD1 8900 C CD2 . TYR C 386 ? 0.5153 0.5252 0.4652 -0.0207 0.0076 -0.0263 453 TYR C CD2 8901 C CE1 . TYR C 386 ? 0.4675 0.4733 0.4119 -0.0224 0.0062 -0.0253 453 TYR C CE1 8902 C CE2 . TYR C 386 ? 0.4798 0.4914 0.4306 -0.0215 0.0089 -0.0271 453 TYR C CE2 8903 C CZ . TYR C 386 ? 0.4803 0.4898 0.4282 -0.0224 0.0081 -0.0265 453 TYR C CZ 8904 O OH . TYR C 386 ? 0.5152 0.5262 0.4637 -0.0234 0.0093 -0.0272 453 TYR C OH 8905 N N . GLY C 387 ? 0.5200 0.5161 0.4559 -0.0224 0.0012 -0.0226 454 GLY C N 8906 C CA . GLY C 387 ? 0.5285 0.5206 0.4599 -0.0232 -0.0003 -0.0218 454 GLY C CA 8907 C C . GLY C 387 ? 0.5543 0.5476 0.4872 -0.0218 -0.0014 -0.0211 454 GLY C C 8908 O O . GLY C 387 ? 0.5087 0.5046 0.4441 -0.0215 -0.0001 -0.0217 454 GLY C O 8909 N N . THR C 388 ? 0.5157 0.5069 0.4469 -0.0210 -0.0037 -0.0198 455 THR C N 8910 C CA . THR C 388 ? 0.5038 0.4956 0.4361 -0.0195 -0.0050 -0.0191 455 THR C CA 8911 C C . THR C 388 ? 0.5133 0.5065 0.4480 -0.0174 -0.0071 -0.0179 455 THR C C 8912 O O . THR C 388 ? 0.5474 0.5401 0.4817 -0.0174 -0.0083 -0.0174 455 THR C O 8913 C CB . THR C 388 ? 0.5531 0.5400 0.4800 -0.0207 -0.0058 -0.0188 455 THR C CB 8914 O OG1 . THR C 388 ? 0.5354 0.5181 0.4579 -0.0217 -0.0072 -0.0183 455 THR C OG1 8915 C CG2 . THR C 388 ? 0.5148 0.5006 0.4395 -0.0228 -0.0036 -0.0200 455 THR C CG2 8916 N N . GLY C 389 ? 0.5311 0.5259 0.4680 -0.0157 -0.0078 -0.0175 456 GLY C N 8917 C CA . GLY C 389 ? 0.5661 0.5624 0.5052 -0.0136 -0.0098 -0.0164 456 GLY C CA 8918 C C . GLY C 389 ? 0.5416 0.5397 0.4830 -0.0118 -0.0100 -0.0161 456 GLY C C 8919 O O . GLY C 389 ? 0.5312 0.5287 0.4718 -0.0123 -0.0089 -0.0167 456 GLY C O 8920 N N . SER C 390 ? 0.4931 0.4935 0.4375 -0.0098 -0.0114 -0.0154 457 SER C N 8921 C CA . SER C 390 ? 0.5212 0.5237 0.4682 -0.0080 -0.0115 -0.0152 457 SER C CA 8922 C C . SER C 390 ? 0.5125 0.5190 0.4640 -0.0063 -0.0121 -0.0147 457 SER C C 8923 O O . SER C 390 ? 0.5142 0.5208 0.4659 -0.0059 -0.0136 -0.0140 457 SER C O 8924 C CB . SER C 390 ? 0.5214 0.5205 0.4654 -0.0071 -0.0129 -0.0146 457 SER C CB 8925 O OG . SER C 390 ? 0.5675 0.5687 0.5141 -0.0052 -0.0130 -0.0144 457 SER C OG 8926 N N . TRP C 391 ? 0.4886 0.4985 0.4436 -0.0055 -0.0110 -0.0150 458 TRP C N 8927 C CA . TRP C 391 ? 0.4975 0.5112 0.4567 -0.0043 -0.0113 -0.0146 458 TRP C CA 8928 C C . TRP C 391 ? 0.4872 0.5031 0.4489 -0.0025 -0.0113 -0.0144 458 TRP C C 8929 O O . TRP C 391 ? 0.5255 0.5439 0.4897 -0.0022 -0.0102 -0.0148 458 TRP C O 8930 C CB . TRP C 391 ? 0.4549 0.4708 0.4160 -0.0052 -0.0099 -0.0152 458 TRP C CB 8931 C CG . TRP C 391 ? 0.4974 0.5114 0.4563 -0.0068 -0.0099 -0.0154 458 TRP C CG 8932 C CD1 . TRP C 391 ? 0.5126 0.5269 0.4718 -0.0071 -0.0107 -0.0150 458 TRP C CD1 8933 C CD2 . TRP C 391 ? 0.4547 0.4659 0.4104 -0.0086 -0.0088 -0.0162 458 TRP C CD2 8934 N NE1 . TRP C 391 ? 0.4740 0.4857 0.4302 -0.0089 -0.0102 -0.0155 458 TRP C NE1 8935 C CE2 . TRP C 391 ? 0.4379 0.4478 0.3921 -0.0097 -0.0089 -0.0162 458 TRP C CE2 8936 C CE3 . TRP C 391 ? 0.4776 0.4874 0.4316 -0.0093 -0.0076 -0.0168 458 TRP C CE3 8937 C CZ2 . TRP C 391 ? 0.4733 0.4805 0.4243 -0.0116 -0.0079 -0.0169 458 TRP C CZ2 8938 C CZ3 . TRP C 391 ? 0.4705 0.4779 0.4215 -0.0113 -0.0066 -0.0176 458 TRP C CZ3 8939 C CH2 . TRP C 391 ? 0.4365 0.4428 0.3861 -0.0123 -0.0066 -0.0177 458 TRP C CH2 8940 N N . PRO C 392 ? 0.4628 0.4776 0.4237 -0.0012 -0.0126 -0.0139 459 PRO C N 8941 C CA . PRO C 392 ? 0.4470 0.4634 0.4099 0.0005 -0.0125 -0.0138 459 PRO C CA 8942 C C . PRO C 392 ? 0.4610 0.4815 0.4280 0.0017 -0.0129 -0.0134 459 PRO C C 8943 O O . PRO C 392 ? 0.4691 0.4912 0.4374 0.0011 -0.0132 -0.0132 459 PRO C O 8944 C CB . PRO C 392 ? 0.4597 0.4729 0.4198 0.0015 -0.0138 -0.0134 459 PRO C CB 8945 C CG . PRO C 392 ? 0.4683 0.4802 0.4270 0.0010 -0.0154 -0.0128 459 PRO C CG 8946 C CD . PRO C 392 ? 0.4960 0.5080 0.4542 -0.0011 -0.0143 -0.0133 459 PRO C CD 8947 N N . ASP C 393 ? 0.5163 0.5385 0.4852 0.0034 -0.0128 -0.0133 460 ASP C N 8948 C CA . ASP C 393 ? 0.4878 0.5140 0.4606 0.0044 -0.0128 -0.0130 460 ASP C CA 8949 C C . ASP C 393 ? 0.4790 0.5065 0.4530 0.0048 -0.0144 -0.0124 460 ASP C C 8950 O O . ASP C 393 ? 0.5056 0.5360 0.4820 0.0044 -0.0145 -0.0122 460 ASP C O 8951 C CB . ASP C 393 ? 0.5172 0.5442 0.4911 0.0061 -0.0123 -0.0131 460 ASP C CB 8952 C CG . ASP C 393 ? 0.5947 0.6259 0.5725 0.0072 -0.0125 -0.0129 460 ASP C CG 8953 O OD1 . ASP C 393 ? 0.6294 0.6632 0.6094 0.0066 -0.0116 -0.0130 460 ASP C OD1 8954 O OD2 . ASP C 393 ? 0.6475 0.6793 0.6261 0.0088 -0.0135 -0.0125 460 ASP C OD2 8955 N N . GLY C 394 ? 0.5002 0.5254 0.4723 0.0058 -0.0157 -0.0121 461 GLY C N 8956 C CA . GLY C 394 ? 0.4678 0.4935 0.4403 0.0061 -0.0176 -0.0114 461 GLY C CA 8957 C C . GLY C 394 ? 0.5467 0.5758 0.5227 0.0081 -0.0184 -0.0110 461 GLY C C 8958 O O . GLY C 394 ? 0.5513 0.5814 0.5281 0.0084 -0.0200 -0.0105 461 GLY C O 8959 N N . ALA C 395 ? 0.5016 0.5330 0.4799 0.0093 -0.0172 -0.0114 462 ALA C N 8960 C CA . ALA C 395 ? 0.4700 0.5049 0.4517 0.0112 -0.0178 -0.0111 462 ALA C CA 8961 C C . ALA C 395 ? 0.4909 0.5233 0.4711 0.0133 -0.0190 -0.0109 462 ALA C C 8962 O O . ALA C 395 ? 0.5203 0.5488 0.4971 0.0135 -0.0187 -0.0112 462 ALA C O 8963 C CB . ALA C 395 ? 0.5207 0.5586 0.5052 0.0118 -0.0160 -0.0116 462 ALA C CB 8964 N N . ASN C 396 ? 0.4608 0.4959 0.4436 0.0148 -0.0204 -0.0105 463 ASN C N 8965 C CA . ASN C 396 ? 0.4890 0.5228 0.4714 0.0173 -0.0216 -0.0104 463 ASN C CA 8966 C C . ASN C 396 ? 0.5170 0.5539 0.5026 0.0194 -0.0203 -0.0109 463 ASN C C 8967 O O . ASN C 396 ? 0.5060 0.5482 0.4961 0.0197 -0.0199 -0.0109 463 ASN C O 8968 C CB . ASN C 396 ? 0.5049 0.5401 0.4888 0.0179 -0.0239 -0.0097 463 ASN C CB 8969 C CG . ASN C 396 ? 0.5702 0.6040 0.5537 0.0207 -0.0255 -0.0095 463 ASN C CG 8970 O OD1 . ASN C 396 ? 0.5292 0.5626 0.5130 0.0227 -0.0246 -0.0100 463 ASN C OD1 8971 N ND2 . ASN C 396 ? 0.6218 0.6546 0.6046 0.0209 -0.0279 -0.0089 463 ASN C ND2 8972 N N . ILE C 397 ? 0.5214 0.5551 0.5046 0.0206 -0.0196 -0.0113 464 ILE C N 8973 C CA . ILE C 397 ? 0.5295 0.5652 0.5148 0.0221 -0.0180 -0.0119 464 ILE C CA 8974 C C . ILE C 397 ? 0.5145 0.5543 0.5040 0.0246 -0.0187 -0.0118 464 ILE C C 8975 O O . ILE C 397 ? 0.5097 0.5535 0.5026 0.0254 -0.0173 -0.0122 464 ILE C O 8976 C CB . ILE C 397 ? 0.6179 0.6485 0.5990 0.0229 -0.0172 -0.0123 464 ILE C CB 8977 C CG1 . ILE C 397 ? 0.6641 0.6968 0.6470 0.0237 -0.0151 -0.0129 464 ILE C CG1 8978 C CG2 . ILE C 397 ? 0.6028 0.6298 0.5816 0.0251 -0.0189 -0.0121 464 ILE C CG2 8979 C CD1 . ILE C 397 ? 0.6136 0.6482 0.5974 0.0214 -0.0134 -0.0132 464 ILE C CD1 8980 N N . ASN C 398 ? 0.5431 0.5824 0.5326 0.0257 -0.0210 -0.0113 465 ASN C N 8981 C CA . ASN C 398 ? 0.5774 0.6210 0.5713 0.0282 -0.0220 -0.0112 465 ASN C CA 8982 C C . ASN C 398 ? 0.5628 0.6128 0.5617 0.0272 -0.0220 -0.0110 465 ASN C C 8983 O O . ASN C 398 ? 0.5622 0.6167 0.5654 0.0290 -0.0223 -0.0110 465 ASN C O 8984 C CB . ASN C 398 ? 0.6141 0.6549 0.6063 0.0297 -0.0248 -0.0106 465 ASN C CB 8985 C CG . ASN C 398 ? 0.6653 0.6994 0.6524 0.0310 -0.0250 -0.0108 465 ASN C CG 8986 O OD1 . ASN C 398 ? 0.8334 0.8626 0.8161 0.0302 -0.0265 -0.0103 465 ASN C OD1 8987 N ND2 . ASN C 398 ? 0.6310 0.6647 0.6182 0.0328 -0.0234 -0.0115 465 ASN C ND2 8988 N N . PHE C 399 ? 0.5402 0.5907 0.5386 0.0243 -0.0216 -0.0107 466 PHE C N 8989 C CA . PHE C 399 ? 0.5483 0.6044 0.5509 0.0230 -0.0216 -0.0105 466 PHE C CA 8990 C C . PHE C 399 ? 0.5829 0.6421 0.5876 0.0221 -0.0190 -0.0111 466 PHE C C 8991 O O . PHE C 399 ? 0.6294 0.6930 0.6371 0.0208 -0.0187 -0.0110 466 PHE C O 8992 C CB . PHE C 399 ? 0.5722 0.6265 0.5724 0.0201 -0.0225 -0.0099 466 PHE C CB 8993 C CG . PHE C 399 ? 0.5338 0.5857 0.5322 0.0202 -0.0252 -0.0092 466 PHE C CG 8994 C CD1 . PHE C 399 ? 0.5629 0.6152 0.5626 0.0228 -0.0270 -0.0090 466 PHE C CD1 8995 C CD2 . PHE C 399 ? 0.5821 0.6313 0.5775 0.0177 -0.0259 -0.0088 466 PHE C CD2 8996 C CE1 . PHE C 399 ? 0.5816 0.6314 0.5793 0.0228 -0.0296 -0.0082 466 PHE C CE1 8997 C CE2 . PHE C 399 ? 0.5555 0.6021 0.5487 0.0175 -0.0284 -0.0081 466 PHE C CE2 8998 C CZ . PHE C 399 ? 0.5571 0.6039 0.5514 0.0201 -0.0304 -0.0078 466 PHE C CZ 8999 N N . MET C 400 ? 0.5604 0.6169 0.5629 0.0226 -0.0173 -0.0117 467 MET C N 9000 C CA . MET C 400 ? 0.6042 0.6627 0.6078 0.0215 -0.0150 -0.0122 467 MET C CA 9001 C C . MET C 400 ? 0.5437 0.6064 0.5510 0.0233 -0.0137 -0.0127 467 MET C C 9002 O O . MET C 400 ? 0.5684 0.6308 0.5762 0.0259 -0.0140 -0.0130 467 MET C O 9003 C CB . MET C 400 ? 0.5625 0.6160 0.5618 0.0209 -0.0138 -0.0125 467 MET C CB 9004 C CG . MET C 400 ? 0.5473 0.5965 0.5428 0.0191 -0.0147 -0.0122 467 MET C CG 9005 S SD . MET C 400 ? 0.5100 0.5609 0.5061 0.0161 -0.0148 -0.0118 467 MET C SD 9006 C CE . MET C 400 ? 0.5258 0.5793 0.5236 0.0151 -0.0125 -0.0123 467 MET C CE 9007 N N . PRO C 401 ? 0.6206 0.6870 0.6303 0.0220 -0.0122 -0.0130 468 PRO C N 9008 C CA . PRO C 401 ? 0.6303 0.6996 0.6423 0.0232 -0.0102 -0.0137 468 PRO C CA 9009 C C . PRO C 401 ? 0.6296 0.6944 0.6382 0.0245 -0.0092 -0.0142 468 PRO C C 9010 O O . PRO C 401 ? 0.6656 0.7259 0.6704 0.0234 -0.0092 -0.0141 468 PRO C O 9011 C CB . PRO C 401 ? 0.6222 0.6936 0.6349 0.0206 -0.0088 -0.0138 468 PRO C CB 9012 C CG . PRO C 401 ? 0.6469 0.7187 0.6595 0.0185 -0.0102 -0.0130 468 PRO C CG 9013 C CD . PRO C 401 ? 0.5629 0.6304 0.5725 0.0191 -0.0120 -0.0126 468 PRO C CD 9014 N N . ILE C 402 ? 0.7457 0.8118 0.7558 0.0267 -0.0080 -0.0149 469 ILE C N 9015 C CA . ILE C 402 ? 0.8283 0.8897 0.8351 0.0286 -0.0077 -0.0153 469 ILE C CA 9016 C C . ILE C 402 ? 0.8253 0.8833 0.8288 0.0280 -0.0057 -0.0158 469 ILE C C 9017 O O . ILE C 402 ? 0.6434 0.7028 0.6473 0.0263 -0.0041 -0.0161 469 ILE C O 9018 C CB . ILE C 402 ? 0.8236 0.8872 0.8332 0.0319 -0.0080 -0.0156 469 ILE C CB 9019 C CG1 . ILE C 402 ? 1.0632 1.1212 1.0691 0.0340 -0.0091 -0.0156 469 ILE C CG1 9020 C CG2 . ILE C 402 ? 0.7815 0.8488 0.7938 0.0329 -0.0057 -0.0165 469 ILE C CG2 9021 C CD1 . ILE C 402 ? 1.2838 1.3436 1.2923 0.0376 -0.0099 -0.0159 469 ILE C CD1 9022 N N . ALA D 15 ? 1.4314 1.5552 1.4294 0.0211 -0.0195 -0.0034 82 ALA D N 9023 C CA . ALA D 15 ? 1.4148 1.5293 1.4108 0.0207 -0.0198 -0.0033 82 ALA D CA 9024 C C . ALA D 15 ? 1.2855 1.3958 1.2810 0.0241 -0.0197 -0.0049 82 ALA D C 9025 O O . ALA D 15 ? 1.1450 1.2582 1.1411 0.0256 -0.0190 -0.0062 82 ALA D O 9026 C CB . ALA D 15 ? 1.2674 1.3789 1.2620 0.0167 -0.0191 -0.0030 82 ALA D CB 9027 N N . GLU D 16 ? 1.1126 1.2161 1.1068 0.0252 -0.0206 -0.0046 83 GLU D N 9028 C CA . GLU D 16 ? 1.0068 1.1051 0.9999 0.0283 -0.0208 -0.0058 83 GLU D CA 9029 C C . GLU D 16 ? 0.8990 0.9899 0.8899 0.0259 -0.0206 -0.0059 83 GLU D C 9030 O O . GLU D 16 ? 0.8065 0.8963 0.7968 0.0226 -0.0204 -0.0048 83 GLU D O 9031 C CB . GLU D 16 ? 1.0772 1.1736 1.0702 0.0313 -0.0222 -0.0053 83 GLU D CB 9032 C CG . GLU D 16 ? 1.2684 1.3636 1.2614 0.0360 -0.0225 -0.0068 83 GLU D CG 9033 C CD . GLU D 16 ? 1.4004 1.4888 1.3911 0.0365 -0.0221 -0.0082 83 GLU D CD 9034 O OE1 . GLU D 16 ? 1.3647 1.4453 1.3531 0.0367 -0.0230 -0.0080 83 GLU D OE1 9035 O OE2 . GLU D 16 ? 1.1940 1.2848 1.1851 0.0364 -0.0209 -0.0096 83 GLU D OE2 9036 N N . TYR D 17 ? 0.6805 0.7665 0.6699 0.0276 -0.0204 -0.0072 84 TYR D N 9037 C CA . TYR D 17 ? 0.6690 0.7482 0.6563 0.0257 -0.0204 -0.0071 84 TYR D CA 9038 C C . TYR D 17 ? 0.6326 0.7066 0.6186 0.0250 -0.0215 -0.0059 84 TYR D C 9039 O O . TYR D 17 ? 0.7049 0.7784 0.6909 0.0273 -0.0225 -0.0055 84 TYR D O 9040 C CB . TYR D 17 ? 0.5769 0.6520 0.5626 0.0276 -0.0201 -0.0088 84 TYR D CB 9041 C CG . TYR D 17 ? 0.5952 0.6746 0.5818 0.0276 -0.0189 -0.0101 84 TYR D CG 9042 C CD1 . TYR D 17 ? 0.6662 0.7477 0.6532 0.0244 -0.0180 -0.0097 84 TYR D CD1 9043 C CD2 . TYR D 17 ? 0.5649 0.6461 0.5517 0.0309 -0.0186 -0.0117 84 TYR D CD2 9044 C CE1 . TYR D 17 ? 0.6541 0.7395 0.6416 0.0242 -0.0170 -0.0108 84 TYR D CE1 9045 C CE2 . TYR D 17 ? 0.6461 0.7313 0.6336 0.0307 -0.0174 -0.0129 84 TYR D CE2 9046 C CZ . TYR D 17 ? 0.6589 0.7462 0.6466 0.0272 -0.0166 -0.0124 84 TYR D CZ 9047 O OH . TYR D 17 ? 0.7510 0.8424 0.7391 0.0267 -0.0156 -0.0135 84 TYR D OH 9048 N N . ARG D 18 ? 0.6177 0.6882 0.6025 0.0220 -0.0214 -0.0053 85 ARG D N 9049 C CA . ARG D 18 ? 0.5562 0.6210 0.5392 0.0211 -0.0223 -0.0044 85 ARG D CA 9050 C C . ARG D 18 ? 0.5866 0.6451 0.5673 0.0226 -0.0228 -0.0052 85 ARG D C 9051 O O . ARG D 18 ? 0.6262 0.6829 0.6061 0.0226 -0.0221 -0.0064 85 ARG D O 9052 C CB . ARG D 18 ? 0.6319 0.6947 0.6142 0.0177 -0.0218 -0.0040 85 ARG D CB 9053 C CG . ARG D 18 ? 0.6601 0.7260 0.6434 0.0152 -0.0216 -0.0029 85 ARG D CG 9054 C CD . ARG D 18 ? 0.6608 0.7240 0.6432 0.0125 -0.0208 -0.0030 85 ARG D CD 9055 N NE . ARG D 18 ? 0.6177 0.6810 0.6000 0.0101 -0.0209 -0.0019 85 ARG D NE 9056 C CZ . ARG D 18 ? 0.6249 0.6879 0.6071 0.0077 -0.0202 -0.0018 85 ARG D CZ 9057 N NH1 . ARG D 18 ? 0.5945 0.6573 0.5768 0.0072 -0.0195 -0.0025 85 ARG D NH1 9058 N NH2 . ARG D 18 ? 0.7034 0.7664 0.6854 0.0058 -0.0204 -0.0009 85 ARG D NH2 9059 N N . ASN D 19 ? 0.6266 0.6810 0.6059 0.0232 -0.0241 -0.0044 86 ASN D N 9060 C CA . ASN D 19 ? 0.6475 0.6947 0.6239 0.0241 -0.0248 -0.0049 86 ASN D CA 9061 C C . ASN D 19 ? 0.5694 0.6115 0.5437 0.0215 -0.0255 -0.0039 86 ASN D C 9062 O O . ASN D 19 ? 0.5661 0.6023 0.5377 0.0214 -0.0259 -0.0044 86 ASN D O 9063 C CB . ASN D 19 ? 0.7088 0.7552 0.6849 0.0279 -0.0260 -0.0050 86 ASN D CB 9064 C CG . ASN D 19 ? 0.8297 0.8817 0.8081 0.0308 -0.0253 -0.0062 86 ASN D CG 9065 O OD1 . ASN D 19 ? 0.7693 0.8267 0.7499 0.0323 -0.0255 -0.0057 86 ASN D OD1 9066 N ND2 . ASN D 19 ? 0.8347 0.8856 0.8124 0.0314 -0.0244 -0.0078 86 ASN D ND2 9067 N N . TRP D 20 ? 0.5425 0.5866 0.5176 0.0192 -0.0256 -0.0027 87 TRP D N 9068 C CA . TRP D 20 ? 0.5407 0.5805 0.5138 0.0166 -0.0261 -0.0017 87 TRP D CA 9069 C C . TRP D 20 ? 0.5409 0.5748 0.5113 0.0180 -0.0277 -0.0013 87 TRP D C 9070 O O . TRP D 20 ? 0.5283 0.5569 0.4960 0.0163 -0.0281 -0.0012 87 TRP D O 9071 C CB . TRP D 20 ? 0.5258 0.5634 0.4979 0.0143 -0.0252 -0.0024 87 TRP D CB 9072 C CG . TRP D 20 ? 0.5847 0.6267 0.5588 0.0130 -0.0239 -0.0029 87 TRP D CG 9073 C CD1 . TRP D 20 ? 0.6046 0.6486 0.5796 0.0140 -0.0229 -0.0040 87 TRP D CD1 9074 C CD2 . TRP D 20 ? 0.6121 0.6570 0.5875 0.0105 -0.0232 -0.0022 87 TRP D CD2 9075 N NE1 . TRP D 20 ? 0.5493 0.5970 0.5260 0.0121 -0.0219 -0.0039 87 TRP D NE1 9076 C CE2 . TRP D 20 ? 0.5233 0.5715 0.5002 0.0101 -0.0221 -0.0029 87 TRP D CE2 9077 C CE3 . TRP D 20 ? 0.6270 0.6717 0.6021 0.0085 -0.0236 -0.0011 87 TRP D CE3 9078 C CZ2 . TRP D 20 ? 0.5349 0.5858 0.5130 0.0080 -0.0213 -0.0025 87 TRP D CZ2 9079 C CZ3 . TRP D 20 ? 0.5278 0.5754 0.5041 0.0064 -0.0227 -0.0009 87 TRP D CZ3 9080 C CH2 . TRP D 20 ? 0.5082 0.5586 0.4859 0.0062 -0.0216 -0.0015 87 TRP D CH2 9081 N N . SER D 21 ? 0.5548 0.5894 0.5256 0.0212 -0.0286 -0.0012 88 SER D N 9082 C CA . SER D 21 ? 0.5838 0.6125 0.5519 0.0230 -0.0302 -0.0009 88 SER D CA 9083 C C . SER D 21 ? 0.5567 0.5842 0.5240 0.0218 -0.0315 0.0008 88 SER D C 9084 O O . SER D 21 ? 0.5861 0.6141 0.5537 0.0242 -0.0327 0.0016 88 SER D O 9085 C CB . SER D 21 ? 0.5528 0.5825 0.5217 0.0274 -0.0306 -0.0017 88 SER D CB 9086 O OG . SER D 21 ? 0.6061 0.6429 0.5782 0.0287 -0.0304 -0.0012 88 SER D OG 9087 N N . LYS D 22 ? 0.5947 0.6208 0.5610 0.0181 -0.0313 0.0015 89 LYS D N 9088 C CA . LYS D 22 ? 0.6529 0.6771 0.6177 0.0163 -0.0325 0.0031 89 LYS D CA 9089 C C . LYS D 22 ? 0.6260 0.6451 0.5878 0.0131 -0.0326 0.0032 89 LYS D C 9090 O O . LYS D 22 ? 0.5640 0.5833 0.5260 0.0117 -0.0313 0.0021 89 LYS D O 9091 C CB . LYS D 22 ? 0.6878 0.7183 0.6553 0.0145 -0.0319 0.0039 89 LYS D CB 9092 C CG . LYS D 22 ? 0.6900 0.7261 0.6603 0.0172 -0.0319 0.0040 89 LYS D CG 9093 C CD . LYS D 22 ? 0.7384 0.7805 0.7110 0.0153 -0.0312 0.0047 89 LYS D CD 9094 C CE . LYS D 22 ? 0.7397 0.7876 0.7150 0.0182 -0.0314 0.0048 89 LYS D CE 9095 N NZ . LYS D 22 ? 0.7847 0.8388 0.7622 0.0160 -0.0304 0.0052 89 LYS D NZ 9096 N N . PRO D 23 ? 0.5736 0.5885 0.5328 0.0119 -0.0341 0.0044 90 PRO D N 9097 C CA . PRO D 23 ? 0.5429 0.5540 0.4993 0.0083 -0.0340 0.0046 90 PRO D CA 9098 C C . PRO D 23 ? 0.5436 0.5592 0.5019 0.0050 -0.0326 0.0045 90 PRO D C 9099 O O . PRO D 23 ? 0.5915 0.6125 0.5526 0.0051 -0.0319 0.0048 90 PRO D O 9100 C CB . PRO D 23 ? 0.5631 0.5696 0.5165 0.0076 -0.0360 0.0062 90 PRO D CB 9101 C CG . PRO D 23 ? 0.6228 0.6332 0.5784 0.0098 -0.0367 0.0072 90 PRO D CG 9102 C CD . PRO D 23 ? 0.6501 0.6652 0.6091 0.0130 -0.0357 0.0060 90 PRO D CD 9103 N N . GLN D 24 ? 0.5360 0.5494 0.4925 0.0021 -0.0321 0.0042 91 GLN D N 9104 C CA . GLN D 24 ? 0.5679 0.5844 0.5254 -0.0009 -0.0309 0.0041 91 GLN D CA 9105 C C . GLN D 24 ? 0.5369 0.5542 0.4938 -0.0031 -0.0316 0.0055 91 GLN D C 9106 O O . GLN D 24 ? 0.5496 0.5629 0.5037 -0.0038 -0.0331 0.0065 91 GLN D O 9107 C CB . GLN D 24 ? 0.5511 0.5646 0.5065 -0.0031 -0.0305 0.0034 91 GLN D CB 9108 C CG . GLN D 24 ? 0.5906 0.6074 0.5470 -0.0061 -0.0291 0.0030 91 GLN D CG 9109 C CD . GLN D 24 ? 0.6235 0.6386 0.5786 -0.0075 -0.0286 0.0021 91 GLN D CD 9110 O OE1 . GLN D 24 ? 0.6533 0.6697 0.6099 -0.0063 -0.0276 0.0011 91 GLN D OE1 9111 N NE2 . GLN D 24 ? 0.6257 0.6379 0.5779 -0.0103 -0.0292 0.0026 91 GLN D NE2 9112 N N . CYS D 25 ? 0.5407 0.5629 0.5001 -0.0042 -0.0305 0.0054 92 CYS D N 9113 C CA . CYS D 25 ? 0.6470 0.6703 0.6057 -0.0066 -0.0309 0.0065 92 CYS D CA 9114 C C . CYS D 25 ? 0.6087 0.6292 0.5647 -0.0099 -0.0310 0.0066 92 CYS D C 9115 O O . CYS D 25 ? 0.5798 0.6001 0.5357 -0.0109 -0.0300 0.0056 92 CYS D O 9116 C CB . CYS D 25 ? 0.6446 0.6734 0.6061 -0.0075 -0.0295 0.0063 92 CYS D CB 9117 S SG . CYS D 25 ? 0.7687 0.8020 0.7336 -0.0043 -0.0291 0.0061 92 CYS D SG 9118 N N . GLN D 26 ? 0.5962 0.6147 0.5499 -0.0115 -0.0323 0.0079 93 GLN D N 9119 C CA . GLN D 26 ? 0.5735 0.5899 0.5245 -0.0151 -0.0325 0.0081 93 GLN D CA 9120 C C . GLN D 26 ? 0.5803 0.6012 0.5328 -0.0174 -0.0310 0.0077 93 GLN D C 9121 O O . GLN D 26 ? 0.5920 0.6154 0.5455 -0.0176 -0.0312 0.0085 93 GLN D O 9122 C CB . GLN D 26 ? 0.6107 0.6228 0.5582 -0.0160 -0.0346 0.0098 93 GLN D CB 9123 C CG . GLN D 26 ? 0.6032 0.6097 0.5484 -0.0137 -0.0362 0.0102 93 GLN D CG 9124 C CD . GLN D 26 ? 0.6340 0.6379 0.5781 -0.0141 -0.0356 0.0090 93 GLN D CD 9125 O OE1 . GLN D 26 ? 0.6287 0.6306 0.5702 -0.0173 -0.0356 0.0090 93 GLN D OE1 9126 N NE2 . GLN D 26 ? 0.6580 0.6624 0.6039 -0.0111 -0.0349 0.0079 93 GLN D NE2 9127 N N . ILE D 27 ? 0.5381 0.5603 0.4910 -0.0191 -0.0296 0.0065 94 ILE D N 9128 C CA . ILE D 27 ? 0.5526 0.5791 0.5072 -0.0208 -0.0281 0.0058 94 ILE D CA 9129 C C . ILE D 27 ? 0.5884 0.6146 0.5407 -0.0244 -0.0279 0.0058 94 ILE D C 9130 O O . ILE D 27 ? 0.4989 0.5220 0.4487 -0.0256 -0.0287 0.0060 94 ILE D O 9131 C CB . ILE D 27 ? 0.5495 0.5788 0.5069 -0.0195 -0.0264 0.0043 94 ILE D CB 9132 C CG1 . ILE D 27 ? 0.5312 0.5589 0.4876 -0.0200 -0.0260 0.0035 94 ILE D CG1 9133 C CG2 . ILE D 27 ? 0.5402 0.5703 0.4997 -0.0162 -0.0264 0.0043 94 ILE D CG2 9134 C CD1 . ILE D 27 ? 0.5474 0.5781 0.5064 -0.0192 -0.0244 0.0022 94 ILE D CD1 9135 N N . THR D 28 ? 0.5554 0.5849 0.5085 -0.0262 -0.0269 0.0054 95 THR D N 9136 C CA . THR D 28 ? 0.5381 0.5684 0.4895 -0.0297 -0.0265 0.0051 95 THR D CA 9137 C C . THR D 28 ? 0.5046 0.5383 0.4579 -0.0301 -0.0245 0.0034 95 THR D C 9138 O O . THR D 28 ? 0.4819 0.5171 0.4341 -0.0327 -0.0238 0.0028 95 THR D O 9139 C CB . THR D 28 ? 0.5764 0.6081 0.5270 -0.0315 -0.0267 0.0059 95 THR D CB 9140 O OG1 . THR D 28 ? 0.6739 0.7087 0.6272 -0.0302 -0.0257 0.0054 95 THR D OG1 9141 C CG2 . THR D 28 ? 0.5896 0.6180 0.5381 -0.0313 -0.0289 0.0078 95 THR D CG2 9142 N N . GLY D 29 ? 0.4791 0.5141 0.4351 -0.0274 -0.0236 0.0026 96 GLY D N 9143 C CA . GLY D 29 ? 0.4597 0.4979 0.4178 -0.0272 -0.0218 0.0011 96 GLY D CA 9144 C C . GLY D 29 ? 0.4599 0.4995 0.4207 -0.0246 -0.0211 0.0007 96 GLY D C 9145 O O . GLY D 29 ? 0.4235 0.4619 0.3848 -0.0227 -0.0220 0.0015 96 GLY D O 9146 N N . PHE D 30 ? 0.4408 0.4830 0.4032 -0.0246 -0.0196 -0.0004 97 PHE D N 9147 C CA . PHE D 30 ? 0.4405 0.4840 0.4052 -0.0225 -0.0189 -0.0007 97 PHE D CA 9148 C C . PHE D 30 ? 0.4374 0.4827 0.4024 -0.0235 -0.0180 -0.0012 97 PHE D C 9149 O O . PHE D 30 ? 0.4818 0.5283 0.4462 -0.0253 -0.0172 -0.0020 97 PHE D O 9150 C CB . PHE D 30 ? 0.4764 0.5206 0.4427 -0.0211 -0.0180 -0.0018 97 PHE D CB 9151 C CG . PHE D 30 ? 0.4425 0.4848 0.4082 -0.0202 -0.0189 -0.0014 97 PHE D CG 9152 C CD1 . PHE D 30 ? 0.4733 0.5144 0.4397 -0.0181 -0.0195 -0.0009 97 PHE D CD1 9153 C CD2 . PHE D 30 ? 0.4598 0.5013 0.4239 -0.0219 -0.0192 -0.0015 97 PHE D CD2 9154 C CE1 . PHE D 30 ? 0.4915 0.5304 0.4570 -0.0173 -0.0203 -0.0007 97 PHE D CE1 9155 C CE2 . PHE D 30 ? 0.4863 0.5256 0.4495 -0.0213 -0.0200 -0.0013 97 PHE D CE2 9156 C CZ . PHE D 30 ? 0.4802 0.5179 0.4440 -0.0190 -0.0206 -0.0009 97 PHE D CZ 9157 N N . ALA D 31 ? 0.4784 0.5241 0.4445 -0.0222 -0.0180 -0.0009 98 ALA D N 9158 C CA . ALA D 31 ? 0.4737 0.5207 0.4399 -0.0230 -0.0171 -0.0014 98 ALA D CA 9159 C C . ALA D 31 ? 0.4487 0.4964 0.4167 -0.0213 -0.0162 -0.0022 98 ALA D C 9160 O O . ALA D 31 ? 0.4406 0.4881 0.4098 -0.0195 -0.0165 -0.0019 98 ALA D O 9161 C CB . ALA D 31 ? 0.4598 0.5069 0.4253 -0.0236 -0.0181 -0.0001 98 ALA D CB 9162 N N . PRO D 32 ? 0.4878 0.5362 0.4557 -0.0221 -0.0151 -0.0031 99 PRO D N 9163 C CA . PRO D 32 ? 0.4763 0.5248 0.4453 -0.0207 -0.0143 -0.0038 99 PRO D CA 9164 C C . PRO D 32 ? 0.5052 0.5537 0.4746 -0.0199 -0.0149 -0.0028 99 PRO D C 9165 O O . PRO D 32 ? 0.4947 0.5436 0.4633 -0.0209 -0.0155 -0.0019 99 PRO D O 9166 C CB . PRO D 32 ? 0.4701 0.5187 0.4381 -0.0221 -0.0132 -0.0048 99 PRO D CB 9167 C CG . PRO D 32 ? 0.4873 0.5364 0.4542 -0.0239 -0.0131 -0.0051 99 PRO D CG 9168 C CD . PRO D 32 ? 0.4498 0.4987 0.4162 -0.0243 -0.0145 -0.0036 99 PRO D CD 9169 N N . PHE D 33 ? 0.4759 0.5244 0.4467 -0.0181 -0.0147 -0.0030 100 PHE D N 9170 C CA . PHE D 33 ? 0.4685 0.5175 0.4398 -0.0172 -0.0152 -0.0022 100 PHE D CA 9171 C C . PHE D 33 ? 0.4723 0.5210 0.4440 -0.0168 -0.0145 -0.0027 100 PHE D C 9172 O O . PHE D 33 ? 0.5534 0.6026 0.5245 -0.0174 -0.0146 -0.0022 100 PHE D O 9173 C CB . PHE D 33 ? 0.4481 0.4972 0.4205 -0.0155 -0.0160 -0.0016 100 PHE D CB 9174 C CG . PHE D 33 ? 0.4647 0.5150 0.4378 -0.0145 -0.0166 -0.0008 100 PHE D CG 9175 C CD1 . PHE D 33 ? 0.5035 0.5551 0.4762 -0.0153 -0.0172 0.0000 100 PHE D CD1 9176 C CD2 . PHE D 33 ? 0.4532 0.5039 0.4276 -0.0127 -0.0167 -0.0009 100 PHE D CD2 9177 C CE1 . PHE D 33 ? 0.5084 0.5618 0.4819 -0.0143 -0.0177 0.0007 100 PHE D CE1 9178 C CE2 . PHE D 33 ? 0.4806 0.5329 0.4557 -0.0117 -0.0172 -0.0002 100 PHE D CE2 9179 C CZ . PHE D 33 ? 0.4854 0.5392 0.4602 -0.0125 -0.0177 0.0005 100 PHE D CZ 9180 N N . SER D 34 ? 0.4671 0.5151 0.4395 -0.0157 -0.0138 -0.0036 101 SER D N 9181 C CA . SER D 34 ? 0.4282 0.4755 0.4006 -0.0152 -0.0133 -0.0039 101 SER D CA 9182 C C . SER D 34 ? 0.3818 0.4282 0.3545 -0.0144 -0.0125 -0.0050 101 SER D C 9183 O O . SER D 34 ? 0.4157 0.4625 0.3891 -0.0138 -0.0125 -0.0054 101 SER D O 9184 C CB . SER D 34 ? 0.4318 0.4800 0.4052 -0.0139 -0.0139 -0.0031 101 SER D CB 9185 O OG . SER D 34 ? 0.4545 0.5020 0.4275 -0.0139 -0.0136 -0.0031 101 SER D OG 9186 N N . LYS D 35 ? 0.3938 0.4387 0.3658 -0.0143 -0.0120 -0.0054 102 LYS D N 9187 C CA . LYS D 35 ? 0.4467 0.4906 0.4191 -0.0131 -0.0113 -0.0065 102 LYS D CA 9188 C C . LYS D 35 ? 0.4586 0.5006 0.4302 -0.0127 -0.0113 -0.0063 102 LYS D C 9189 O O . LYS D 35 ? 0.4790 0.5200 0.4491 -0.0139 -0.0114 -0.0060 102 LYS D O 9190 C CB . LYS D 35 ? 0.4575 0.5007 0.4288 -0.0140 -0.0105 -0.0076 102 LYS D CB 9191 C CG . LYS D 35 ? 0.4342 0.4772 0.4061 -0.0125 -0.0098 -0.0089 102 LYS D CG 9192 C CD . LYS D 35 ? 0.4549 0.4979 0.4259 -0.0134 -0.0089 -0.0102 102 LYS D CD 9193 C CE . LYS D 35 ? 0.4913 0.5352 0.4635 -0.0117 -0.0082 -0.0114 102 LYS D CE 9194 N NZ . LYS D 35 ? 0.5399 0.5817 0.5121 -0.0097 -0.0080 -0.0117 102 LYS D NZ 9195 N N . ASP D 36 ? 0.4946 0.5361 0.4671 -0.0110 -0.0113 -0.0065 103 ASP D N 9196 C CA . ASP D 36 ? 0.5090 0.5485 0.4805 -0.0109 -0.0115 -0.0061 103 ASP D CA 9197 C C . ASP D 36 ? 0.4953 0.5319 0.4657 -0.0102 -0.0109 -0.0071 103 ASP D C 9198 O O . ASP D 36 ? 0.4879 0.5220 0.4566 -0.0106 -0.0111 -0.0067 103 ASP D O 9199 C CB . ASP D 36 ? 0.6435 0.6841 0.6162 -0.0099 -0.0121 -0.0053 103 ASP D CB 9200 C CG . ASP D 36 ? 0.7190 0.7599 0.6931 -0.0081 -0.0120 -0.0057 103 ASP D CG 9201 O OD1 . ASP D 36 ? 0.6504 0.6913 0.6249 -0.0075 -0.0114 -0.0066 103 ASP D OD1 9202 O OD2 . ASP D 36 ? 0.7108 0.7522 0.6857 -0.0073 -0.0125 -0.0050 103 ASP D OD2 9203 N N . ASN D 37 ? 0.4322 0.4689 0.4031 -0.0092 -0.0103 -0.0082 104 ASN D N 9204 C CA . ASN D 37 ? 0.4145 0.4484 0.3843 -0.0083 -0.0097 -0.0092 104 ASN D CA 9205 C C . ASN D 37 ? 0.4615 0.4931 0.4311 -0.0067 -0.0101 -0.0089 104 ASN D C 9206 O O . ASN D 37 ? 0.4829 0.5110 0.4507 -0.0062 -0.0099 -0.0094 104 ASN D O 9207 C CB . ASN D 37 ? 0.4305 0.4618 0.3976 -0.0100 -0.0093 -0.0097 104 ASN D CB 9208 C CG . ASN D 37 ? 0.4899 0.5231 0.4570 -0.0113 -0.0087 -0.0104 104 ASN D CG 9209 O OD1 . ASN D 37 ? 0.5822 0.6168 0.5503 -0.0105 -0.0081 -0.0115 104 ASN D OD1 9210 N ND2 . ASN D 37 ? 0.4834 0.5168 0.4493 -0.0135 -0.0090 -0.0098 104 ASN D ND2 9211 N N . SER D 38 ? 0.4943 0.5278 0.4656 -0.0059 -0.0107 -0.0079 105 SER D N 9212 C CA . SER D 38 ? 0.5428 0.5745 0.5138 -0.0047 -0.0113 -0.0073 105 SER D CA 9213 C C . SER D 38 ? 0.4866 0.5160 0.4574 -0.0026 -0.0111 -0.0081 105 SER D C 9214 O O . SER D 38 ? 0.5413 0.5672 0.5103 -0.0023 -0.0115 -0.0077 105 SER D O 9215 C CB . SER D 38 ? 0.5956 0.6302 0.5688 -0.0039 -0.0119 -0.0065 105 SER D CB 9216 O OG . SER D 38 ? 0.6595 0.6963 0.6330 -0.0054 -0.0121 -0.0058 105 SER D OG 9217 N N . ILE D 39 ? 0.4515 0.4830 0.4239 -0.0013 -0.0105 -0.0092 106 ILE D N 9218 C CA . ILE D 39 ? 0.4463 0.4765 0.4191 0.0010 -0.0103 -0.0100 106 ILE D CA 9219 C C . ILE D 39 ? 0.4244 0.4506 0.3947 0.0011 -0.0097 -0.0111 106 ILE D C 9220 O O . ILE D 39 ? 0.4346 0.4569 0.4034 0.0025 -0.0100 -0.0112 106 ILE D O 9221 C CB . ILE D 39 ? 0.4612 0.4957 0.4367 0.0025 -0.0098 -0.0108 106 ILE D CB 9222 C CG1 . ILE D 39 ? 0.4720 0.5102 0.4495 0.0022 -0.0103 -0.0098 106 ILE D CG1 9223 C CG2 . ILE D 39 ? 0.4801 0.5137 0.4561 0.0054 -0.0097 -0.0115 106 ILE D CG2 9224 C CD1 . ILE D 39 ? 0.5302 0.5672 0.5076 0.0028 -0.0113 -0.0085 106 ILE D CD1 9225 N N . ARG D 40 ? 0.4686 0.4952 0.4380 -0.0005 -0.0090 -0.0119 107 ARG D N 9226 C CA . ARG D 40 ? 0.4619 0.4844 0.4285 -0.0010 -0.0084 -0.0130 107 ARG D CA 9227 C C . ARG D 40 ? 0.4421 0.4597 0.4057 -0.0020 -0.0091 -0.0120 107 ARG D C 9228 O O . ARG D 40 ? 0.5144 0.5274 0.4758 -0.0010 -0.0091 -0.0126 107 ARG D O 9229 C CB . ARG D 40 ? 0.5296 0.5537 0.4957 -0.0032 -0.0077 -0.0137 107 ARG D CB 9230 C CG . ARG D 40 ? 0.4933 0.5210 0.4612 -0.0022 -0.0067 -0.0151 107 ARG D CG 9231 C CD . ARG D 40 ? 0.5395 0.5693 0.5070 -0.0048 -0.0063 -0.0153 107 ARG D CD 9232 N NE . ARG D 40 ? 0.5600 0.5863 0.5245 -0.0063 -0.0058 -0.0160 107 ARG D NE 9233 C CZ . ARG D 40 ? 0.5432 0.5684 0.5065 -0.0060 -0.0048 -0.0178 107 ARG D CZ 9234 N NH1 . ARG D 40 ? 0.5533 0.5750 0.5134 -0.0077 -0.0044 -0.0184 107 ARG D NH1 9235 N NH2 . ARG D 40 ? 0.4973 0.5250 0.4623 -0.0040 -0.0040 -0.0192 107 ARG D NH2 9236 N N . LEU D 41 ? 0.4565 0.4753 0.4202 -0.0039 -0.0099 -0.0105 108 LEU D N 9237 C CA . LEU D 41 ? 0.4881 0.5029 0.4489 -0.0052 -0.0107 -0.0094 108 LEU D CA 9238 C C . LEU D 41 ? 0.4939 0.5061 0.4545 -0.0033 -0.0115 -0.0087 108 LEU D C 9239 O O . LEU D 41 ? 0.5312 0.5384 0.4886 -0.0038 -0.0119 -0.0084 108 LEU D O 9240 C CB . LEU D 41 ? 0.4907 0.5081 0.4518 -0.0076 -0.0112 -0.0080 108 LEU D CB 9241 C CG . LEU D 41 ? 0.5578 0.5772 0.5186 -0.0097 -0.0106 -0.0084 108 LEU D CG 9242 C CD1 . LEU D 41 ? 0.6028 0.6260 0.5650 -0.0112 -0.0112 -0.0070 108 LEU D CD1 9243 C CD2 . LEU D 41 ? 0.5348 0.5501 0.4919 -0.0117 -0.0104 -0.0088 108 LEU D CD2 9244 N N . SER D 42 ? 0.5083 0.5236 0.4718 -0.0013 -0.0117 -0.0085 109 SER D N 9245 C CA . SER D 42 ? 0.4843 0.4979 0.4480 0.0006 -0.0125 -0.0078 109 SER D CA 9246 C C . SER D 42 ? 0.4973 0.5059 0.4590 0.0026 -0.0124 -0.0087 109 SER D C 9247 O O . SER D 42 ? 0.5716 0.5768 0.5320 0.0036 -0.0134 -0.0079 109 SER D O 9248 C CB . SER D 42 ? 0.5099 0.5284 0.4772 0.0023 -0.0125 -0.0076 109 SER D CB 9249 O OG . SER D 42 ? 0.5723 0.5946 0.5410 0.0006 -0.0128 -0.0066 109 SER D OG 9250 N N . ALA D 43 ? 0.5744 0.5824 0.5358 0.0033 -0.0114 -0.0104 110 ALA D N 9251 C CA . ALA D 43 ? 0.5823 0.5855 0.5417 0.0053 -0.0112 -0.0116 110 ALA D CA 9252 C C . ALA D 43 ? 0.6302 0.6265 0.5849 0.0036 -0.0115 -0.0115 110 ALA D C 9253 O O . ALA D 43 ? 0.5805 0.5718 0.5329 0.0052 -0.0113 -0.0126 110 ALA D O 9254 C CB . ALA D 43 ? 0.6395 0.6451 0.6003 0.0066 -0.0098 -0.0136 110 ALA D CB 9255 N N . GLY D 44 ? 0.6398 0.6359 0.5929 0.0003 -0.0118 -0.0104 111 GLY D N 9256 C CA . GLY D 44 ? 0.7302 0.7201 0.6786 -0.0017 -0.0123 -0.0100 111 GLY D CA 9257 C C . GLY D 44 ? 0.7498 0.7411 0.6974 -0.0050 -0.0131 -0.0082 111 GLY D C 9258 O O . GLY D 44 ? 0.8973 0.8883 0.8429 -0.0080 -0.0129 -0.0081 111 GLY D O 9259 N N . GLY D 45 ? 0.6406 0.6340 0.5900 -0.0043 -0.0139 -0.0068 112 GLY D N 9260 C CA . GLY D 45 ? 0.6155 0.6111 0.5646 -0.0069 -0.0147 -0.0051 112 GLY D CA 9261 C C . GLY D 45 ? 0.5877 0.5870 0.5398 -0.0055 -0.0153 -0.0040 112 GLY D C 9262 O O . GLY D 45 ? 0.6172 0.6188 0.5723 -0.0027 -0.0151 -0.0046 112 GLY D O 9263 N N . ASP D 46 ? 0.5708 0.5713 0.5223 -0.0076 -0.0161 -0.0025 113 ASP D N 9264 C CA . ASP D 46 ? 0.5460 0.5499 0.4997 -0.0069 -0.0168 -0.0013 113 ASP D CA 9265 C C . ASP D 46 ? 0.5181 0.5288 0.4753 -0.0074 -0.0162 -0.0014 113 ASP D C 9266 O O . ASP D 46 ? 0.5751 0.5880 0.5319 -0.0098 -0.0162 -0.0008 113 ASP D O 9267 C CB . ASP D 46 ? 0.5894 0.5908 0.5402 -0.0090 -0.0179 0.0002 113 ASP D CB 9268 C CG . ASP D 46 ? 0.6600 0.6537 0.6065 -0.0088 -0.0186 0.0003 113 ASP D CG 9269 O OD1 . ASP D 46 ? 0.6907 0.6817 0.6376 -0.0059 -0.0188 -0.0001 113 ASP D OD1 9270 O OD2 . ASP D 46 ? 0.8545 0.8447 0.7972 -0.0116 -0.0189 0.0008 113 ASP D OD2 9271 N N . ILE D 47 ? 0.5048 0.5187 0.4653 -0.0051 -0.0158 -0.0020 114 ILE D N 9272 C CA . ILE D 47 ? 0.4539 0.4734 0.4176 -0.0051 -0.0153 -0.0023 114 ILE D CA 9273 C C . ILE D 47 ? 0.4569 0.4794 0.4233 -0.0033 -0.0156 -0.0018 114 ILE D C 9274 O O . ILE D 47 ? 0.4981 0.5191 0.4648 -0.0013 -0.0159 -0.0020 114 ILE D O 9275 C CB . ILE D 47 ? 0.4761 0.4965 0.4410 -0.0043 -0.0143 -0.0038 114 ILE D CB 9276 C CG1 . ILE D 47 ? 0.5024 0.5201 0.4647 -0.0061 -0.0138 -0.0043 114 ILE D CG1 9277 C CG2 . ILE D 47 ? 0.4473 0.4729 0.4152 -0.0042 -0.0139 -0.0039 114 ILE D CG2 9278 C CD1 . ILE D 47 ? 0.5136 0.5334 0.4753 -0.0088 -0.0139 -0.0036 114 ILE D CD1 9279 N N . TRP D 48 ? 0.4497 0.4764 0.4178 -0.0041 -0.0157 -0.0013 115 TRP D N 9280 C CA . TRP D 48 ? 0.4311 0.4607 0.4013 -0.0029 -0.0161 -0.0009 115 TRP D CA 9281 C C . TRP D 48 ? 0.4765 0.5079 0.4491 -0.0009 -0.0156 -0.0018 115 TRP D C 9282 O O . TRP D 48 ? 0.3774 0.4097 0.3506 -0.0009 -0.0148 -0.0028 115 TRP D O 9283 C CB . TRP D 48 ? 0.4360 0.4697 0.4075 -0.0042 -0.0160 -0.0005 115 TRP D CB 9284 C CG . TRP D 48 ? 0.4382 0.4718 0.4081 -0.0058 -0.0166 0.0005 115 TRP D CG 9285 C CD1 . TRP D 48 ? 0.4235 0.4563 0.3914 -0.0079 -0.0167 0.0009 115 TRP D CD1 9286 C CD2 . TRP D 48 ? 0.4092 0.4440 0.3793 -0.0058 -0.0173 0.0014 115 TRP D CD2 9287 N NE1 . TRP D 48 ? 0.4429 0.4765 0.4098 -0.0092 -0.0173 0.0019 115 TRP D NE1 9288 C CE2 . TRP D 48 ? 0.4252 0.4600 0.3934 -0.0079 -0.0177 0.0023 115 TRP D CE2 9289 C CE3 . TRP D 48 ? 0.4301 0.4664 0.4018 -0.0043 -0.0176 0.0016 115 TRP D CE3 9290 C CZ2 . TRP D 48 ? 0.4227 0.4588 0.3905 -0.0086 -0.0183 0.0032 115 TRP D CZ2 9291 C CZ3 . TRP D 48 ? 0.3732 0.4106 0.3444 -0.0050 -0.0183 0.0026 115 TRP D CZ3 9292 C CH2 . TRP D 48 ? 0.4013 0.4386 0.3707 -0.0071 -0.0186 0.0034 115 TRP D CH2 9293 N N . VAL D 49 ? 0.4621 0.4943 0.4358 0.0006 -0.0160 -0.0015 116 VAL D N 9294 C CA . VAL D 49 ? 0.4376 0.4729 0.4139 0.0022 -0.0157 -0.0022 116 VAL D CA 9295 C C . VAL D 49 ? 0.4889 0.5282 0.4668 0.0013 -0.0156 -0.0019 116 VAL D C 9296 O O . VAL D 49 ? 0.4468 0.4866 0.4242 0.0005 -0.0162 -0.0010 116 VAL D O 9297 C CB . VAL D 49 ? 0.4667 0.5017 0.4437 0.0042 -0.0163 -0.0017 116 VAL D CB 9298 C CG1 . VAL D 49 ? 0.4510 0.4902 0.4307 0.0054 -0.0160 -0.0023 116 VAL D CG1 9299 C CG2 . VAL D 49 ? 0.4812 0.5121 0.4567 0.0056 -0.0164 -0.0022 116 VAL D CG2 9300 N N . THR D 50 ? 0.4475 0.4892 0.4268 0.0014 -0.0150 -0.0028 117 THR D N 9301 C CA . THR D 50 ? 0.4421 0.4868 0.4225 0.0005 -0.0149 -0.0027 117 THR D CA 9302 C C . THR D 50 ? 0.4389 0.4864 0.4211 0.0012 -0.0146 -0.0035 117 THR D C 9303 O O . THR D 50 ? 0.4590 0.5066 0.4417 0.0022 -0.0142 -0.0042 117 THR D O 9304 C CB . THR D 50 ? 0.4801 0.5246 0.4597 -0.0009 -0.0146 -0.0029 117 THR D CB 9305 O OG1 . THR D 50 ? 0.4620 0.5061 0.4416 -0.0009 -0.0140 -0.0038 117 THR D OG1 9306 C CG2 . THR D 50 ? 0.5176 0.5601 0.4955 -0.0020 -0.0148 -0.0023 117 THR D CG2 9307 N N . ARG D 51 ? 0.4471 0.4967 0.4299 0.0005 -0.0146 -0.0034 118 ARG D N 9308 C CA . ARG D 51 ? 0.4285 0.4802 0.4123 0.0004 -0.0143 -0.0040 118 ARG D CA 9309 C C . ARG D 51 ? 0.4344 0.4870 0.4180 -0.0006 -0.0145 -0.0038 118 ARG D C 9310 O O . ARG D 51 ? 0.4388 0.4910 0.4218 -0.0009 -0.0148 -0.0033 118 ARG D O 9311 C CB . ARG D 51 ? 0.5187 0.5726 0.5038 0.0014 -0.0144 -0.0041 118 ARG D CB 9312 C CG . ARG D 51 ? 0.4795 0.5340 0.4653 0.0023 -0.0140 -0.0049 118 ARG D CG 9313 C CD . ARG D 51 ? 0.4465 0.5045 0.4337 0.0026 -0.0139 -0.0053 118 ARG D CD 9314 N NE . ARG D 51 ? 0.4803 0.5392 0.4671 0.0010 -0.0137 -0.0056 118 ARG D NE 9315 C CZ . ARG D 51 ? 0.4512 0.5126 0.4385 0.0003 -0.0138 -0.0056 118 ARG D CZ 9316 N NH1 . ARG D 51 ? 0.4603 0.5240 0.4486 0.0010 -0.0141 -0.0054 118 ARG D NH1 9317 N NH2 . ARG D 51 ? 0.4681 0.5294 0.4546 -0.0010 -0.0138 -0.0058 118 ARG D NH2 9318 N N . GLU D 52 ? 0.4534 0.5073 0.4373 -0.0010 -0.0143 -0.0044 119 GLU D N 9319 C CA . GLU D 52 ? 0.4654 0.5197 0.4490 -0.0018 -0.0145 -0.0043 119 GLU D CA 9320 C C . GLU D 52 ? 0.4885 0.5414 0.4712 -0.0023 -0.0145 -0.0041 119 GLU D C 9321 O O . GLU D 52 ? 0.4324 0.4855 0.4148 -0.0023 -0.0148 -0.0038 119 GLU D O 9322 C CB . GLU D 52 ? 0.5152 0.5704 0.4989 -0.0015 -0.0149 -0.0039 119 GLU D CB 9323 C CG . GLU D 52 ? 0.5462 0.6033 0.5307 -0.0013 -0.0150 -0.0041 119 GLU D CG 9324 C CD . GLU D 52 ? 0.5940 0.6517 0.5793 -0.0002 -0.0151 -0.0037 119 GLU D CD 9325 O OE1 . GLU D 52 ? 0.6578 0.7143 0.6428 0.0001 -0.0153 -0.0031 119 GLU D OE1 9326 O OE2 . GLU D 52 ? 0.6557 0.7152 0.6420 0.0001 -0.0151 -0.0039 119 GLU D OE2 9327 N N . PRO D 53 ? 0.4349 0.4869 0.4172 -0.0027 -0.0142 -0.0043 120 PRO D N 9328 C CA . PRO D 53 ? 0.4553 0.5065 0.4368 -0.0033 -0.0143 -0.0041 120 PRO D CA 9329 C C . PRO D 53 ? 0.4636 0.5150 0.4448 -0.0038 -0.0145 -0.0041 120 PRO D C 9330 O O . PRO D 53 ? 0.4676 0.5194 0.4490 -0.0039 -0.0145 -0.0045 120 PRO D O 9331 C CB . PRO D 53 ? 0.4153 0.4654 0.3964 -0.0038 -0.0139 -0.0044 120 PRO D CB 9332 C CG . PRO D 53 ? 0.4120 0.4628 0.3936 -0.0037 -0.0135 -0.0050 120 PRO D CG 9333 C CD . PRO D 53 ? 0.4099 0.4620 0.3924 -0.0028 -0.0137 -0.0049 120 PRO D CD 9334 N N . TYR D 54 ? 0.4499 0.5012 0.4307 -0.0040 -0.0147 -0.0038 121 TYR D N 9335 C CA . TYR D 54 ? 0.4302 0.4814 0.4107 -0.0042 -0.0150 -0.0038 121 TYR D CA 9336 C C . TYR D 54 ? 0.3955 0.4469 0.3756 -0.0045 -0.0152 -0.0033 121 TYR D C 9337 O O . TYR D 54 ? 0.4362 0.4879 0.4163 -0.0048 -0.0150 -0.0030 121 TYR D O 9338 C CB . TYR D 54 ? 0.4102 0.4617 0.3907 -0.0036 -0.0153 -0.0039 121 TYR D CB 9339 C CG . TYR D 54 ? 0.3887 0.4412 0.3695 -0.0029 -0.0154 -0.0037 121 TYR D CG 9340 C CD1 . TYR D 54 ? 0.4291 0.4822 0.4104 -0.0026 -0.0153 -0.0037 121 TYR D CD1 9341 C CD2 . TYR D 54 ? 0.3481 0.4013 0.3288 -0.0025 -0.0157 -0.0035 121 TYR D CD2 9342 C CE1 . TYR D 54 ? 0.3905 0.4447 0.3719 -0.0022 -0.0154 -0.0036 121 TYR D CE1 9343 C CE2 . TYR D 54 ? 0.3836 0.4383 0.3646 -0.0019 -0.0157 -0.0035 121 TYR D CE2 9344 C CZ . TYR D 54 ? 0.4120 0.4671 0.3933 -0.0019 -0.0155 -0.0035 121 TYR D CZ 9345 O OH . TYR D 54 ? 0.4282 0.4848 0.4096 -0.0016 -0.0156 -0.0034 121 TYR D OH 9346 N N . VAL D 55 ? 0.4026 0.4539 0.3824 -0.0045 -0.0156 -0.0032 122 VAL D N 9347 C CA . VAL D 55 ? 0.3868 0.4387 0.3663 -0.0048 -0.0158 -0.0027 122 VAL D CA 9348 C C . VAL D 55 ? 0.3905 0.4430 0.3701 -0.0037 -0.0163 -0.0026 122 VAL D C 9349 O O . VAL D 55 ? 0.3952 0.4466 0.3745 -0.0032 -0.0166 -0.0029 122 VAL D O 9350 C CB . VAL D 55 ? 0.4244 0.4755 0.4033 -0.0059 -0.0158 -0.0027 122 VAL D CB 9351 C CG1 . VAL D 55 ? 0.4397 0.4917 0.4183 -0.0063 -0.0162 -0.0020 122 VAL D CG1 9352 C CG2 . VAL D 55 ? 0.4287 0.4791 0.4073 -0.0068 -0.0151 -0.0030 122 VAL D CG2 9353 N N . SER D 56 ? 0.4174 0.4718 0.3974 -0.0034 -0.0165 -0.0022 123 SER D N 9354 C CA . SER D 56 ? 0.5117 0.5671 0.4919 -0.0021 -0.0170 -0.0022 123 SER D CA 9355 C C . SER D 56 ? 0.5181 0.5760 0.4987 -0.0023 -0.0172 -0.0016 123 SER D C 9356 O O . SER D 56 ? 0.6208 0.6799 0.6015 -0.0034 -0.0168 -0.0013 123 SER D O 9357 C CB . SER D 56 ? 0.4721 0.5283 0.4528 -0.0010 -0.0168 -0.0026 123 SER D CB 9358 O OG . SER D 56 ? 0.5143 0.5710 0.4950 0.0004 -0.0173 -0.0028 123 SER D OG 9359 N N . CYS D 57 ? 0.5214 0.5799 0.5021 -0.0014 -0.0178 -0.0013 124 CYS D N 9360 C CA . CYS D 57 ? 0.5639 0.6252 0.5449 -0.0015 -0.0181 -0.0007 124 CYS D CA 9361 C C . CYS D 57 ? 0.5331 0.5972 0.5151 0.0003 -0.0184 -0.0008 124 CYS D C 9362 O O . CYS D 57 ? 0.5651 0.6279 0.5470 0.0020 -0.0187 -0.0013 124 CYS D O 9363 C CB . CYS D 57 ? 0.5959 0.6560 0.5763 -0.0020 -0.0187 -0.0001 124 CYS D CB 9364 S SG . CYS D 57 ? 0.6875 0.7446 0.6668 -0.0042 -0.0183 -0.0002 124 CYS D SG 9365 N N . SER D 58 ? 0.5010 0.5689 0.4838 0.0000 -0.0182 -0.0005 125 SER D N 9366 C CA . SER D 58 ? 0.5494 0.6210 0.5332 0.0016 -0.0185 -0.0005 125 SER D CA 9367 C C . SER D 58 ? 0.5677 0.6399 0.5515 0.0021 -0.0193 0.0001 125 SER D C 9368 O O . SER D 58 ? 0.5153 0.5852 0.4983 0.0008 -0.0195 0.0005 125 SER D O 9369 C CB . SER D 58 ? 0.5750 0.6508 0.5593 0.0006 -0.0180 -0.0003 125 SER D CB 9370 O OG . SER D 58 ? 0.5622 0.6387 0.5459 -0.0015 -0.0181 0.0004 125 SER D OG 9371 N N . PRO D 59 ? 0.5629 0.6386 0.5478 0.0040 -0.0197 0.0001 126 PRO D N 9372 C CA . PRO D 59 ? 0.6151 0.6918 0.6001 0.0044 -0.0206 0.0010 126 PRO D CA 9373 C C . PRO D 59 ? 0.5944 0.6735 0.5793 0.0019 -0.0206 0.0020 126 PRO D C 9374 O O . PRO D 59 ? 0.5908 0.6690 0.5751 0.0012 -0.0212 0.0027 126 PRO D O 9375 C CB . PRO D 59 ? 0.5710 0.6517 0.5574 0.0072 -0.0210 0.0008 126 PRO D CB 9376 C CG . PRO D 59 ? 0.6015 0.6811 0.5880 0.0086 -0.0204 -0.0004 126 PRO D CG 9377 C CD . PRO D 59 ? 0.5945 0.6729 0.5804 0.0061 -0.0195 -0.0005 126 PRO D CD 9378 N N . GLY D 60 ? 0.6447 0.7263 0.6297 0.0002 -0.0199 0.0019 127 GLY D N 9379 C CA . GLY D 60 ? 0.6572 0.7407 0.6416 -0.0025 -0.0198 0.0027 127 GLY D CA 9380 C C . GLY D 60 ? 0.6963 0.7755 0.6791 -0.0049 -0.0193 0.0027 127 GLY D C 9381 O O . GLY D 60 ? 0.6952 0.7744 0.6771 -0.0068 -0.0195 0.0034 127 GLY D O 9382 N N . LYS D 61 ? 0.7422 0.8180 0.7245 -0.0048 -0.0188 0.0020 128 LYS D N 9383 C CA . LYS D 61 ? 0.6846 0.7563 0.6655 -0.0066 -0.0183 0.0018 128 LYS D CA 9384 C C . LYS D 61 ? 0.6129 0.6808 0.5936 -0.0060 -0.0179 0.0010 128 LYS D C 9385 O O . LYS D 61 ? 0.6946 0.7627 0.6760 -0.0043 -0.0178 0.0005 128 LYS D O 9386 C CB . LYS D 61 ? 0.7759 0.8486 0.7558 -0.0090 -0.0179 0.0021 128 LYS D CB 9387 C CG . LYS D 61 ? 0.8492 0.9224 0.8292 -0.0092 -0.0174 0.0018 128 LYS D CG 9388 C CD . LYS D 61 ? 0.9667 1.0422 0.9456 -0.0115 -0.0173 0.0024 128 LYS D CD 9389 C CE . LYS D 61 ? 0.9489 1.0237 0.9265 -0.0136 -0.0174 0.0029 128 LYS D CE 9390 N NZ . LYS D 61 ? 1.0348 1.1124 1.0112 -0.0160 -0.0175 0.0036 128 LYS D NZ 9391 N N . CYS D 62 ? 0.5603 0.6251 0.5400 -0.0073 -0.0176 0.0009 129 CYS D N 9392 C CA . CYS D 62 ? 0.5728 0.6343 0.5521 -0.0070 -0.0172 0.0002 129 CYS D CA 9393 C C . CYS D 62 ? 0.5160 0.5767 0.4950 -0.0078 -0.0165 0.0000 129 CYS D C 9394 O O . CYS D 62 ? 0.4238 0.4847 0.4019 -0.0094 -0.0164 0.0002 129 CYS D O 9395 C CB . CYS D 62 ? 0.6402 0.6991 0.6187 -0.0078 -0.0172 0.0001 129 CYS D CB 9396 S SG . CYS D 62 ? 0.7402 0.7990 0.7188 -0.0067 -0.0181 0.0005 129 CYS D SG 9397 N N . TYR D 63 ? 0.4402 0.4996 0.4195 -0.0068 -0.0163 -0.0005 130 TYR D N 9398 C CA . TYR D 63 ? 0.4394 0.4978 0.4184 -0.0073 -0.0159 -0.0007 130 TYR D CA 9399 C C . TYR D 63 ? 0.4286 0.4843 0.4075 -0.0069 -0.0156 -0.0013 130 TYR D C 9400 O O . TYR D 63 ? 0.4174 0.4726 0.3969 -0.0060 -0.0157 -0.0016 130 TYR D O 9401 C CB . TYR D 63 ? 0.4335 0.4941 0.4132 -0.0065 -0.0159 -0.0007 130 TYR D CB 9402 C CG . TYR D 63 ? 0.4425 0.5063 0.4222 -0.0071 -0.0161 -0.0001 130 TYR D CG 9403 C CD1 . TYR D 63 ? 0.4787 0.5450 0.4593 -0.0061 -0.0165 0.0000 130 TYR D CD1 9404 C CD2 . TYR D 63 ? 0.5472 0.6118 0.5260 -0.0086 -0.0160 0.0002 130 TYR D CD2 9405 C CE1 . TYR D 63 ? 0.5488 0.6190 0.5296 -0.0065 -0.0167 0.0003 130 TYR D CE1 9406 C CE2 . TYR D 63 ? 0.5025 0.5707 0.4813 -0.0094 -0.0162 0.0007 130 TYR D CE2 9407 C CZ . TYR D 63 ? 0.5359 0.6072 0.5158 -0.0083 -0.0165 0.0008 130 TYR D CZ 9408 O OH . TYR D 63 ? 0.5650 0.6407 0.5452 -0.0090 -0.0166 0.0012 130 TYR D OH 9409 N N . GLN D 64 ? 0.4060 0.4601 0.3843 -0.0075 -0.0152 -0.0014 131 GLN D N 9410 C CA . GLN D 64 ? 0.4479 0.5003 0.4265 -0.0069 -0.0149 -0.0020 131 GLN D CA 9411 C C . GLN D 64 ? 0.4485 0.5011 0.4273 -0.0063 -0.0150 -0.0019 131 GLN D C 9412 O O . GLN D 64 ? 0.4679 0.5211 0.4462 -0.0069 -0.0151 -0.0014 131 GLN D O 9413 C CB . GLN D 64 ? 0.5003 0.5505 0.4781 -0.0076 -0.0145 -0.0023 131 GLN D CB 9414 C CG . GLN D 64 ? 0.6035 0.6526 0.5800 -0.0086 -0.0144 -0.0021 131 GLN D CG 9415 C CD . GLN D 64 ? 0.5946 0.6414 0.5700 -0.0092 -0.0139 -0.0026 131 GLN D CD 9416 O OE1 . GLN D 64 ? 0.6153 0.6620 0.5901 -0.0103 -0.0138 -0.0027 131 GLN D OE1 9417 N NE2 . GLN D 64 ? 0.6686 0.7135 0.6438 -0.0086 -0.0137 -0.0030 131 GLN D NE2 9418 N N . PHE D 65 ? 0.4681 0.5206 0.4477 -0.0053 -0.0149 -0.0022 132 PHE D N 9419 C CA . PHE D 65 ? 0.4011 0.4540 0.3810 -0.0047 -0.0150 -0.0021 132 PHE D CA 9420 C C . PHE D 65 ? 0.4580 0.5095 0.4381 -0.0043 -0.0148 -0.0025 132 PHE D C 9421 O O . PHE D 65 ? 0.4217 0.4726 0.4021 -0.0041 -0.0146 -0.0030 132 PHE D O 9422 C CB . PHE D 65 ? 0.3924 0.4467 0.3730 -0.0038 -0.0152 -0.0024 132 PHE D CB 9423 C CG . PHE D 65 ? 0.4229 0.4791 0.4036 -0.0038 -0.0154 -0.0022 132 PHE D CG 9424 C CD1 . PHE D 65 ? 0.4668 0.5232 0.4475 -0.0037 -0.0156 -0.0022 132 PHE D CD1 9425 C CD2 . PHE D 65 ? 0.4111 0.4692 0.3919 -0.0038 -0.0155 -0.0019 132 PHE D CD2 9426 C CE1 . PHE D 65 ? 0.4514 0.5098 0.4323 -0.0033 -0.0158 -0.0021 132 PHE D CE1 9427 C CE2 . PHE D 65 ? 0.4564 0.5169 0.4374 -0.0035 -0.0156 -0.0019 132 PHE D CE2 9428 C CZ . PHE D 65 ? 0.4429 0.5036 0.4241 -0.0032 -0.0158 -0.0019 132 PHE D CZ 9429 N N . ALA D 66 ? 0.4282 0.4796 0.4083 -0.0039 -0.0150 -0.0022 133 ALA D N 9430 C CA . ALA D 66 ? 0.4467 0.4975 0.4273 -0.0032 -0.0149 -0.0025 133 ALA D CA 9431 C C . ALA D 66 ? 0.4271 0.4784 0.4078 -0.0028 -0.0153 -0.0019 133 ALA D C 9432 O O . ALA D 66 ? 0.4548 0.5062 0.4348 -0.0034 -0.0155 -0.0014 133 ALA D O 9433 C CB . ALA D 66 ? 0.3959 0.4449 0.3762 -0.0032 -0.0146 -0.0027 133 ALA D CB 9434 N N . LEU D 67 ? 0.4259 0.4774 0.4073 -0.0020 -0.0153 -0.0021 134 LEU D N 9435 C CA . LEU D 67 ? 0.4345 0.4863 0.4159 -0.0017 -0.0158 -0.0015 134 LEU D CA 9436 C C . LEU D 67 ? 0.4428 0.4926 0.4236 -0.0013 -0.0159 -0.0011 134 LEU D C 9437 O O . LEU D 67 ? 0.4503 0.4995 0.4316 -0.0005 -0.0158 -0.0015 134 LEU D O 9438 C CB . LEU D 67 ? 0.4068 0.4602 0.3891 -0.0011 -0.0159 -0.0017 134 LEU D CB 9439 C CG . LEU D 67 ? 0.4614 0.5163 0.4440 -0.0015 -0.0157 -0.0022 134 LEU D CG 9440 C CD1 . LEU D 67 ? 0.4745 0.5308 0.4577 -0.0012 -0.0159 -0.0024 134 LEU D CD1 9441 C CD2 . LEU D 67 ? 0.4658 0.5215 0.4479 -0.0019 -0.0159 -0.0019 134 LEU D CD2 9442 N N . GLY D 68 ? 0.3663 0.4148 0.3458 -0.0020 -0.0163 -0.0004 135 GLY D N 9443 C CA . GLY D 68 ? 0.4042 0.4499 0.3826 -0.0016 -0.0166 0.0000 135 GLY D CA 9444 C C . GLY D 68 ? 0.4106 0.4567 0.3896 -0.0005 -0.0172 0.0004 135 GLY D C 9445 O O . GLY D 68 ? 0.4054 0.4540 0.3854 -0.0005 -0.0173 0.0005 135 GLY D O 9446 N N . GLN D 69 ? 0.3992 0.4427 0.3775 0.0003 -0.0175 0.0006 136 GLN D N 9447 C CA . GLN D 69 ? 0.4219 0.4653 0.4006 0.0015 -0.0181 0.0012 136 GLN D CA 9448 C C . GLN D 69 ? 0.4454 0.4859 0.4220 0.0011 -0.0190 0.0024 136 GLN D C 9449 O O . GLN D 69 ? 0.4454 0.4846 0.4218 0.0023 -0.0197 0.0030 136 GLN D O 9450 C CB . GLN D 69 ? 0.4503 0.4931 0.4300 0.0034 -0.0179 0.0005 136 GLN D CB 9451 C CG . GLN D 69 ? 0.4885 0.5348 0.4703 0.0037 -0.0172 -0.0003 136 GLN D CG 9452 C CD . GLN D 69 ? 0.4971 0.5466 0.4803 0.0042 -0.0176 0.0000 136 GLN D CD 9453 O OE1 . GLN D 69 ? 0.5485 0.5980 0.5312 0.0040 -0.0183 0.0009 136 GLN D OE1 9454 N NE2 . GLN D 69 ? 0.5039 0.5562 0.4887 0.0046 -0.0171 -0.0007 136 GLN D NE2 9455 N N . GLY D 70 ? 0.4534 0.4931 0.4283 -0.0007 -0.0190 0.0028 137 GLY D N 9456 C CA . GLY D 70 ? 0.4499 0.4871 0.4224 -0.0018 -0.0199 0.0041 137 GLY D CA 9457 C C . GLY D 70 ? 0.4937 0.5259 0.4644 -0.0010 -0.0204 0.0043 137 GLY D C 9458 O O . GLY D 70 ? 0.5335 0.5629 0.5022 -0.0012 -0.0214 0.0054 137 GLY D O 9459 N N . THR D 71 ? 0.4894 0.5202 0.4603 -0.0003 -0.0197 0.0032 138 THR D N 9460 C CA . THR D 71 ? 0.4682 0.4941 0.4371 0.0005 -0.0199 0.0031 138 THR D CA 9461 C C . THR D 71 ? 0.4252 0.4502 0.3940 0.0002 -0.0189 0.0019 138 THR D C 9462 O O . THR D 71 ? 0.4397 0.4682 0.4106 0.0002 -0.0181 0.0010 138 THR D O 9463 C CB . THR D 71 ? 0.4642 0.4894 0.4343 0.0033 -0.0203 0.0031 138 THR D CB 9464 O OG1 . THR D 71 ? 0.4749 0.4949 0.4430 0.0044 -0.0206 0.0029 138 THR D OG1 9465 C CG2 . THR D 71 ? 0.4934 0.5229 0.4667 0.0047 -0.0194 0.0019 138 THR D CG2 9466 N N . THR D 72 ? 0.4241 0.4441 0.3901 0.0000 -0.0191 0.0018 139 THR D N 9467 C CA . THR D 72 ? 0.4920 0.5105 0.4577 0.0003 -0.0182 0.0005 139 THR D CA 9468 C C . THR D 72 ? 0.4755 0.4935 0.4427 0.0033 -0.0179 -0.0004 139 THR D C 9469 O O . THR D 72 ? 0.4631 0.4814 0.4313 0.0052 -0.0185 0.0000 139 THR D O 9470 C CB . THR D 72 ? 0.5122 0.5254 0.4741 -0.0013 -0.0184 0.0007 139 THR D CB 9471 O OG1 . THR D 72 ? 0.4745 0.4830 0.4338 -0.0009 -0.0195 0.0017 139 THR D OG1 9472 C CG2 . THR D 72 ? 0.5388 0.5540 0.4998 -0.0043 -0.0183 0.0012 139 THR D CG2 9473 N N . LEU D 73 ? 0.4392 0.4566 0.4065 0.0037 -0.0170 -0.0018 140 LEU D N 9474 C CA . LEU D 73 ? 0.4281 0.4462 0.3972 0.0065 -0.0165 -0.0030 140 LEU D CA 9475 C C . LEU D 73 ? 0.4655 0.4784 0.4326 0.0085 -0.0170 -0.0031 140 LEU D C 9476 O O . LEU D 73 ? 0.5308 0.5443 0.4993 0.0111 -0.0173 -0.0031 140 LEU D O 9477 C CB . LEU D 73 ? 0.3894 0.4095 0.3595 0.0060 -0.0152 -0.0044 140 LEU D CB 9478 C CG . LEU D 73 ? 0.3948 0.4168 0.3669 0.0086 -0.0145 -0.0058 140 LEU D CG 9479 C CD1 . LEU D 73 ? 0.4156 0.4421 0.3897 0.0076 -0.0135 -0.0068 140 LEU D CD1 9480 C CD2 . LEU D 73 ? 0.3976 0.4152 0.3678 0.0101 -0.0142 -0.0070 140 LEU D CD2 9481 N N . ASN D 74 ? 0.4837 0.4911 0.4472 0.0072 -0.0171 -0.0031 141 ASN D N 9482 C CA . ASN D 74 ? 0.4868 0.4881 0.4477 0.0091 -0.0178 -0.0032 141 ASN D CA 9483 C C . ASN D 74 ? 0.5365 0.5350 0.4955 0.0085 -0.0193 -0.0012 141 ASN D C 9484 O O . ASN D 74 ? 0.5047 0.4985 0.4599 0.0063 -0.0199 -0.0004 141 ASN D O 9485 C CB . ASN D 74 ? 0.4360 0.4321 0.3934 0.0077 -0.0172 -0.0041 141 ASN D CB 9486 C CG . ASN D 74 ? 0.5052 0.4946 0.4599 0.0101 -0.0177 -0.0047 141 ASN D CG 9487 O OD1 . ASN D 74 ? 0.4339 0.4230 0.3898 0.0134 -0.0182 -0.0046 141 ASN D OD1 9488 N ND2 . ASN D 74 ? 0.4467 0.4303 0.3973 0.0086 -0.0176 -0.0051 141 ASN D ND2 9489 N N . ASN D 75 ? 0.4985 0.5003 0.4600 0.0103 -0.0199 -0.0005 142 ASN D N 9490 C CA . ASN D 75 ? 0.4705 0.4718 0.4312 0.0096 -0.0213 0.0013 142 ASN D CA 9491 C C . ASN D 75 ? 0.4589 0.4638 0.4229 0.0126 -0.0216 0.0014 142 ASN D C 9492 O O . ASN D 75 ? 0.5153 0.5259 0.4828 0.0134 -0.0208 0.0006 142 ASN D O 9493 C CB . ASN D 75 ? 0.5120 0.5176 0.4735 0.0064 -0.0210 0.0020 142 ASN D CB 9494 C CG . ASN D 75 ? 0.5979 0.6034 0.5582 0.0049 -0.0223 0.0039 142 ASN D CG 9495 O OD1 . ASN D 75 ? 0.5267 0.5320 0.4875 0.0066 -0.0233 0.0048 142 ASN D OD1 9496 N ND2 . ASN D 75 ? 0.5099 0.5161 0.4687 0.0017 -0.0223 0.0046 142 ASN D ND2 9497 N N . LYS D 76 ? 0.4960 0.4977 0.4587 0.0142 -0.0230 0.0026 143 LYS D N 9498 C CA . LYS D 76 ? 0.4980 0.5033 0.4637 0.0170 -0.0235 0.0030 143 LYS D CA 9499 C C . LYS D 76 ? 0.5218 0.5338 0.4904 0.0158 -0.0235 0.0036 143 LYS D C 9500 O O . LYS D 76 ? 0.5292 0.5460 0.5011 0.0179 -0.0234 0.0034 143 LYS D O 9501 C CB . LYS D 76 ? 0.5817 0.5820 0.5452 0.0189 -0.0252 0.0043 143 LYS D CB 9502 C CG . LYS D 76 ? 0.6510 0.6455 0.6126 0.0215 -0.0251 0.0032 143 LYS D CG 9503 C CD . LYS D 76 ? 0.8025 0.7907 0.7612 0.0233 -0.0269 0.0046 143 LYS D CD 9504 C CE . LYS D 76 ? 0.8931 0.8754 0.8498 0.0260 -0.0266 0.0030 143 LYS D CE 9505 N NZ . LYS D 76 ? 1.0225 0.9975 0.9759 0.0279 -0.0285 0.0043 143 LYS D NZ 9506 N N . HIS D 77 ? 0.4607 0.4737 0.4283 0.0125 -0.0235 0.0044 144 HIS D N 9507 C CA . HIS D 77 ? 0.4532 0.4727 0.4237 0.0114 -0.0232 0.0047 144 HIS D CA 9508 C C . HIS D 77 ? 0.4542 0.4787 0.4277 0.0117 -0.0217 0.0030 144 HIS D C 9509 O O . HIS D 77 ? 0.4494 0.4789 0.4251 0.0109 -0.0215 0.0031 144 HIS D O 9510 C CB . HIS D 77 ? 0.4642 0.4840 0.4330 0.0081 -0.0234 0.0057 144 HIS D CB 9511 C CG . HIS D 77 ? 0.4677 0.4837 0.4336 0.0073 -0.0249 0.0074 144 HIS D CG 9512 N ND1 . HIS D 77 ? 0.4702 0.4800 0.4323 0.0062 -0.0254 0.0078 144 HIS D ND1 9513 C CD2 . HIS D 77 ? 0.4804 0.4975 0.4463 0.0071 -0.0261 0.0089 144 HIS D CD2 9514 C CE1 . HIS D 77 ? 0.4391 0.4463 0.3988 0.0053 -0.0269 0.0096 144 HIS D CE1 9515 N NE2 . HIS D 77 ? 0.4792 0.4909 0.4412 0.0059 -0.0273 0.0103 144 HIS D NE2 9516 N N . SER D 78 ? 0.4960 0.5190 0.4694 0.0124 -0.0207 0.0016 145 SER D N 9517 C CA . SER D 78 ? 0.4750 0.5026 0.4511 0.0125 -0.0194 0.0001 145 SER D CA 9518 C C . SER D 78 ? 0.4332 0.4651 0.4124 0.0151 -0.0194 -0.0002 145 SER D C 9519 O O . SER D 78 ? 0.5035 0.5399 0.4849 0.0149 -0.0185 -0.0011 145 SER D O 9520 C CB . SER D 78 ? 0.4639 0.4890 0.4389 0.0124 -0.0184 -0.0012 145 SER D CB 9521 O OG . SER D 78 ? 0.5013 0.5236 0.4759 0.0151 -0.0185 -0.0019 145 SER D OG 9522 N N . ASN D 79 ? 0.4454 0.4757 0.4244 0.0174 -0.0204 0.0004 146 ASN D N 9523 C CA . ASN D 79 ? 0.5222 0.5567 0.5040 0.0199 -0.0206 0.0002 146 ASN D CA 9524 C C . ASN D 79 ? 0.4906 0.5308 0.4745 0.0186 -0.0207 0.0009 146 ASN D C 9525 O O . ASN D 79 ? 0.5809 0.6206 0.5639 0.0171 -0.0215 0.0022 146 ASN D O 9526 C CB . ASN D 79 ? 0.5757 0.6070 0.5566 0.0225 -0.0219 0.0013 146 ASN D CB 9527 C CG . ASN D 79 ? 0.6677 0.7030 0.6515 0.0258 -0.0220 0.0008 146 ASN D CG 9528 O OD1 . ASN D 79 ? 0.6766 0.7181 0.6633 0.0258 -0.0212 0.0000 146 ASN D OD1 9529 N ND2 . ASN D 79 ? 0.8212 0.8529 0.8041 0.0287 -0.0231 0.0013 146 ASN D ND2 9530 N N . GLY D 80 ? 0.4829 0.5283 0.4694 0.0189 -0.0199 0.0000 147 GLY D N 9531 C CA . GLY D 80 ? 0.5076 0.5582 0.4959 0.0176 -0.0200 0.0005 147 GLY D CA 9532 C C . GLY D 80 ? 0.4986 0.5502 0.4864 0.0146 -0.0194 0.0002 147 GLY D C 9533 O O . GLY D 80 ? 0.4570 0.5119 0.4456 0.0133 -0.0195 0.0007 147 GLY D O 9534 N N . THR D 81 ? 0.4512 0.5002 0.4378 0.0136 -0.0185 -0.0006 148 THR D N 9535 C CA . THR D 81 ? 0.4596 0.5093 0.4458 0.0110 -0.0180 -0.0008 148 THR D CA 9536 C C . THR D 81 ? 0.4741 0.5281 0.4620 0.0103 -0.0171 -0.0018 148 THR D C 9537 O O . THR D 81 ? 0.4757 0.5300 0.4631 0.0084 -0.0167 -0.0020 148 THR D O 9538 C CB . THR D 81 ? 0.5339 0.5794 0.5179 0.0100 -0.0176 -0.0011 148 THR D CB 9539 O OG1 . THR D 81 ? 0.4487 0.4923 0.4325 0.0115 -0.0170 -0.0021 148 THR D OG1 9540 C CG2 . THR D 81 ? 0.5084 0.5500 0.4902 0.0095 -0.0185 0.0001 148 THR D CG2 9541 N N . ILE D 82 ? 0.5257 0.5833 0.5155 0.0117 -0.0170 -0.0022 149 ILE D N 9542 C CA . ILE D 82 ? 0.5169 0.5788 0.5081 0.0106 -0.0165 -0.0028 149 ILE D CA 9543 C C . ILE D 82 ? 0.5418 0.6055 0.5329 0.0090 -0.0171 -0.0019 149 ILE D C 9544 O O . ILE D 82 ? 0.5267 0.5920 0.5178 0.0074 -0.0166 -0.0024 149 ILE D O 9545 C CB . ILE D 82 ? 0.5497 0.6157 0.5430 0.0123 -0.0163 -0.0034 149 ILE D CB 9546 C CG1 . ILE D 82 ? 0.5254 0.5955 0.5196 0.0106 -0.0156 -0.0042 149 ILE D CG1 9547 C CG2 . ILE D 82 ? 0.4632 0.5310 0.4574 0.0139 -0.0174 -0.0023 149 ILE D CG2 9548 C CD1 . ILE D 82 ? 0.6550 0.7293 0.6510 0.0120 -0.0152 -0.0051 149 ILE D CD1 9549 N N . HIS D 83 ? 0.6611 0.7242 0.6519 0.0095 -0.0180 -0.0007 150 HIS D N 9550 C CA . HIS D 83 ? 0.6498 0.7145 0.6403 0.0079 -0.0185 0.0000 150 HIS D CA 9551 C C . HIS D 83 ? 0.5812 0.6439 0.5702 0.0060 -0.0181 -0.0002 150 HIS D C 9552 O O . HIS D 83 ? 0.6036 0.6630 0.5914 0.0059 -0.0180 -0.0001 150 HIS D O 9553 C CB . HIS D 83 ? 0.6906 0.7551 0.6809 0.0087 -0.0196 0.0013 150 HIS D CB 9554 C CG . HIS D 83 ? 0.8087 0.8756 0.8006 0.0109 -0.0201 0.0015 150 HIS D CG 9555 N ND1 . HIS D 83 ? 0.8474 0.9192 0.8411 0.0110 -0.0199 0.0011 150 HIS D ND1 9556 C CD2 . HIS D 83 ? 0.8504 0.9156 0.8425 0.0132 -0.0207 0.0021 150 HIS D CD2 9557 C CE1 . HIS D 83 ? 0.8780 0.9516 0.8732 0.0133 -0.0204 0.0014 150 HIS D CE1 9558 N NE2 . HIS D 83 ? 0.9393 1.0087 0.9335 0.0148 -0.0209 0.0020 150 HIS D NE2 9559 N N . ASP D 84 ? 0.5538 0.6186 0.5429 0.0046 -0.0179 -0.0005 151 ASP D N 9560 C CA . ASP D 84 ? 0.5303 0.5938 0.5182 0.0030 -0.0175 -0.0009 151 ASP D CA 9561 C C . ASP D 84 ? 0.5400 0.6023 0.5268 0.0022 -0.0179 -0.0001 151 ASP D C 9562 O O . ASP D 84 ? 0.5453 0.6060 0.5311 0.0014 -0.0176 -0.0003 151 ASP D O 9563 C CB . ASP D 84 ? 0.6338 0.6995 0.6219 0.0017 -0.0172 -0.0015 151 ASP D CB 9564 C CG . ASP D 84 ? 0.7838 0.8511 0.7729 0.0019 -0.0167 -0.0023 151 ASP D CG 9565 O OD1 . ASP D 84 ? 0.8898 0.9558 0.8790 0.0026 -0.0162 -0.0028 151 ASP D OD1 9566 O OD2 . ASP D 84 ? 1.0667 1.1369 1.0563 0.0013 -0.0167 -0.0025 151 ASP D OD2 9567 N N . ARG D 85 ? 0.4187 0.4822 0.4055 0.0024 -0.0187 0.0007 152 ARG D N 9568 C CA . ARG D 85 ? 0.4703 0.5335 0.4559 0.0012 -0.0190 0.0012 152 ARG D CA 9569 C C . ARG D 85 ? 0.4592 0.5214 0.4442 0.0016 -0.0198 0.0024 152 ARG D C 9570 O O . ARG D 85 ? 0.5439 0.6078 0.5295 0.0021 -0.0205 0.0031 152 ARG D O 9571 C CB . ARG D 85 ? 0.4402 0.5059 0.4258 0.0002 -0.0190 0.0009 152 ARG D CB 9572 C CG . ARG D 85 ? 0.4802 0.5459 0.4657 -0.0004 -0.0182 -0.0002 152 ARG D CG 9573 C CD . ARG D 85 ? 0.5016 0.5690 0.4866 -0.0016 -0.0182 -0.0006 152 ARG D CD 9574 N NE . ARG D 85 ? 0.5840 0.6540 0.5698 -0.0015 -0.0187 -0.0001 152 ARG D NE 9575 C CZ . ARG D 85 ? 0.5872 0.6590 0.5739 -0.0014 -0.0185 -0.0005 152 ARG D CZ 9576 N NH1 . ARG D 85 ? 0.5547 0.6255 0.5415 -0.0014 -0.0179 -0.0013 152 ARG D NH1 9577 N NH2 . ARG D 85 ? 0.6348 0.7095 0.6223 -0.0013 -0.0190 0.0000 152 ARG D NH2 9578 N N . ILE D 86 ? 0.5515 0.6110 0.5353 0.0014 -0.0199 0.0028 153 ILE D N 9579 C CA . ILE D 86 ? 0.5689 0.6268 0.5515 0.0013 -0.0208 0.0040 153 ILE D CA 9580 C C . ILE D 86 ? 0.5177 0.5748 0.4988 -0.0003 -0.0206 0.0041 153 ILE D C 9581 O O . ILE D 86 ? 0.4666 0.5238 0.4477 -0.0008 -0.0198 0.0032 153 ILE D O 9582 C CB . ILE D 86 ? 0.5737 0.6285 0.5560 0.0027 -0.0212 0.0045 153 ILE D CB 9583 C CG1 . ILE D 86 ? 0.6045 0.6568 0.5862 0.0026 -0.0204 0.0037 153 ILE D CG1 9584 C CG2 . ILE D 86 ? 0.5135 0.5696 0.4975 0.0046 -0.0213 0.0044 153 ILE D CG2 9585 C CD1 . ILE D 86 ? 0.5497 0.5980 0.5302 0.0036 -0.0208 0.0041 153 ILE D CD1 9586 N N . PRO D 87 ? 0.4898 0.5465 0.4695 -0.0011 -0.0214 0.0053 154 PRO D N 9587 C CA . PRO D 87 ? 0.5191 0.5760 0.4974 -0.0028 -0.0212 0.0054 154 PRO D CA 9588 C C . PRO D 87 ? 0.5054 0.5597 0.4826 -0.0033 -0.0209 0.0053 154 PRO D C 9589 O O . PRO D 87 ? 0.4748 0.5299 0.4511 -0.0046 -0.0206 0.0051 154 PRO D O 9590 C CB . PRO D 87 ? 0.5421 0.5991 0.5191 -0.0036 -0.0223 0.0068 154 PRO D CB 9591 C CG . PRO D 87 ? 0.5496 0.6072 0.5276 -0.0023 -0.0229 0.0073 154 PRO D CG 9592 C CD . PRO D 87 ? 0.5315 0.5881 0.5110 -0.0005 -0.0225 0.0066 154 PRO D CD 9593 N N . HIS D 88 ? 0.4742 0.5257 0.4514 -0.0021 -0.0211 0.0054 155 HIS D N 9594 C CA . HIS D 88 ? 0.4473 0.4959 0.4230 -0.0027 -0.0209 0.0054 155 HIS D CA 9595 C C . HIS D 88 ? 0.4554 0.5047 0.4322 -0.0025 -0.0198 0.0041 155 HIS D C 9596 O O . HIS D 88 ? 0.4416 0.4890 0.4173 -0.0032 -0.0196 0.0040 155 HIS D O 9597 C CB . HIS D 88 ? 0.4310 0.4757 0.4056 -0.0017 -0.0216 0.0061 155 HIS D CB 9598 C CG . HIS D 88 ? 0.4924 0.5366 0.4663 -0.0016 -0.0228 0.0074 155 HIS D CG 9599 N ND1 . HIS D 88 ? 0.5009 0.5458 0.4732 -0.0034 -0.0233 0.0084 155 HIS D ND1 9600 C CD2 . HIS D 88 ? 0.5277 0.5721 0.5026 0.0001 -0.0234 0.0079 155 HIS D CD2 9601 C CE1 . HIS D 88 ? 0.5116 0.5565 0.4837 -0.0030 -0.0244 0.0095 155 HIS D CE1 9602 N NE2 . HIS D 88 ? 0.5466 0.5912 0.5203 -0.0007 -0.0245 0.0093 155 HIS D NE2 9603 N N . ARG D 89 ? 0.4430 0.4947 0.4216 -0.0019 -0.0193 0.0031 156 ARG D N 9604 C CA . ARG D 89 ? 0.4403 0.4924 0.4196 -0.0018 -0.0184 0.0020 156 ARG D CA 9605 C C . ARG D 89 ? 0.4945 0.5479 0.4732 -0.0031 -0.0181 0.0018 156 ARG D C 9606 O O . ARG D 89 ? 0.3981 0.4537 0.3769 -0.0037 -0.0182 0.0019 156 ARG D O 9607 C CB . ARG D 89 ? 0.3987 0.4527 0.3797 -0.0010 -0.0180 0.0012 156 ARG D CB 9608 C CG . ARG D 89 ? 0.4860 0.5393 0.4678 0.0003 -0.0182 0.0013 156 ARG D CG 9609 C CD . ARG D 89 ? 0.4532 0.5079 0.4364 0.0009 -0.0176 0.0003 156 ARG D CD 9610 N NE . ARG D 89 ? 0.4489 0.5023 0.4320 0.0009 -0.0170 -0.0004 156 ARG D NE 9611 C CZ . ARG D 89 ? 0.4940 0.5483 0.4781 0.0012 -0.0165 -0.0012 156 ARG D CZ 9612 N NH1 . ARG D 89 ? 0.4384 0.4951 0.4235 0.0014 -0.0166 -0.0014 156 ARG D NH1 9613 N NH2 . ARG D 89 ? 0.5022 0.5552 0.4860 0.0011 -0.0160 -0.0018 156 ARG D NH2 9614 N N . THR D 90 ? 0.4799 0.5322 0.4582 -0.0036 -0.0177 0.0015 157 THR D N 9615 C CA . THR D 90 ? 0.4556 0.5096 0.4336 -0.0046 -0.0174 0.0013 157 THR D CA 9616 C C . THR D 90 ? 0.4742 0.5281 0.4528 -0.0042 -0.0168 0.0005 157 THR D C 9617 O O . THR D 90 ? 0.3844 0.4364 0.3632 -0.0037 -0.0166 0.0002 157 THR D O 9618 C CB . THR D 90 ? 0.4767 0.5295 0.4527 -0.0061 -0.0177 0.0022 157 THR D CB 9619 O OG1 . THR D 90 ? 0.4985 0.5480 0.4736 -0.0061 -0.0178 0.0024 157 THR D OG1 9620 C CG2 . THR D 90 ? 0.5358 0.5888 0.5108 -0.0067 -0.0184 0.0031 157 THR D CG2 9621 N N . LEU D 91 ? 0.4537 0.5098 0.4327 -0.0045 -0.0165 0.0000 158 LEU D N 9622 C CA . LEU D 91 ? 0.4410 0.4971 0.4205 -0.0043 -0.0161 -0.0005 158 LEU D CA 9623 C C . LEU D 91 ? 0.4193 0.4746 0.3979 -0.0053 -0.0161 -0.0001 158 LEU D C 9624 O O . LEU D 91 ? 0.3977 0.4546 0.3756 -0.0063 -0.0162 0.0002 158 LEU D O 9625 C CB . LEU D 91 ? 0.3996 0.4580 0.3798 -0.0039 -0.0159 -0.0011 158 LEU D CB 9626 C CG . LEU D 91 ? 0.3997 0.4581 0.3802 -0.0036 -0.0157 -0.0016 158 LEU D CG 9627 C CD1 . LEU D 91 ? 0.4201 0.4765 0.4010 -0.0031 -0.0155 -0.0019 158 LEU D CD1 9628 C CD2 . LEU D 91 ? 0.4123 0.4726 0.3933 -0.0029 -0.0156 -0.0022 158 LEU D CD2 9629 N N . LEU D 92 ? 0.4074 0.4605 0.3857 -0.0052 -0.0159 -0.0003 159 LEU D N 9630 C CA . LEU D 92 ? 0.4006 0.4526 0.3777 -0.0064 -0.0158 -0.0001 159 LEU D CA 9631 C C . LEU D 92 ? 0.3752 0.4287 0.3530 -0.0065 -0.0156 -0.0004 159 LEU D C 9632 O O . LEU D 92 ? 0.4690 0.5228 0.4478 -0.0056 -0.0154 -0.0010 159 LEU D O 9633 C CB . LEU D 92 ? 0.4073 0.4562 0.3838 -0.0063 -0.0157 -0.0002 159 LEU D CB 9634 C CG . LEU D 92 ? 0.4732 0.5200 0.4491 -0.0057 -0.0161 0.0001 159 LEU D CG 9635 C CD1 . LEU D 92 ? 0.4691 0.5129 0.4446 -0.0051 -0.0159 -0.0002 159 LEU D CD1 9636 C CD2 . LEU D 92 ? 0.4841 0.5301 0.4582 -0.0070 -0.0166 0.0011 159 LEU D CD2 9637 N N . MET D 93 ? 0.4081 0.4628 0.3851 -0.0077 -0.0156 -0.0001 160 MET D N 9638 C CA . MET D 93 ? 0.4371 0.4936 0.4146 -0.0078 -0.0155 -0.0002 160 MET D CA 9639 C C . MET D 93 ? 0.3968 0.4526 0.3729 -0.0094 -0.0155 0.0001 160 MET D C 9640 O O . MET D 93 ? 0.4240 0.4800 0.3988 -0.0107 -0.0157 0.0007 160 MET D O 9641 C CB . MET D 93 ? 0.5171 0.5773 0.4955 -0.0074 -0.0156 -0.0002 160 MET D CB 9642 C CG . MET D 93 ? 0.5647 0.6272 0.5438 -0.0071 -0.0156 -0.0003 160 MET D CG 9643 S SD . MET D 93 ? 0.5295 0.5965 0.5095 -0.0062 -0.0157 -0.0005 160 MET D SD 9644 C CE . MET D 93 ? 0.5536 0.6223 0.5344 -0.0055 -0.0159 -0.0006 160 MET D CE 9645 N N . SER D 94 ? 0.4813 0.5361 0.4574 -0.0095 -0.0154 -0.0001 161 SER D N 9646 C CA . SER D 94 ? 0.4546 0.5086 0.4292 -0.0112 -0.0153 0.0001 161 SER D CA 9647 C C . SER D 94 ? 0.4412 0.4964 0.4165 -0.0111 -0.0153 0.0000 161 SER D C 9648 O O . SER D 94 ? 0.4233 0.4785 0.3998 -0.0098 -0.0153 -0.0004 161 SER D O 9649 C CB . SER D 94 ? 0.4857 0.5357 0.4591 -0.0114 -0.0151 -0.0001 161 SER D CB 9650 O OG . SER D 94 ? 0.5539 0.6022 0.5260 -0.0125 -0.0149 -0.0003 161 SER D OG 9651 N N . GLU D 95 ? 0.3903 0.4467 0.3646 -0.0127 -0.0154 0.0004 162 GLU D N 9652 C CA . GLU D 95 ? 0.4564 0.5141 0.4313 -0.0127 -0.0155 0.0004 162 GLU D CA 9653 C C . GLU D 95 ? 0.4489 0.5034 0.4234 -0.0125 -0.0152 -0.0001 162 GLU D C 9654 O O . GLU D 95 ? 0.4424 0.4941 0.4158 -0.0130 -0.0149 -0.0005 162 GLU D O 9655 C CB . GLU D 95 ? 0.5249 0.5842 0.4986 -0.0147 -0.0157 0.0010 162 GLU D CB 9656 C CG . GLU D 95 ? 0.6331 0.6963 0.6071 -0.0152 -0.0160 0.0016 162 GLU D CG 9657 C CD . GLU D 95 ? 0.7315 0.7975 0.7047 -0.0171 -0.0163 0.0023 162 GLU D CD 9658 O OE1 . GLU D 95 ? 0.8067 0.8715 0.7791 -0.0180 -0.0163 0.0024 162 GLU D OE1 9659 O OE2 . GLU D 95 ? 0.8244 0.8938 0.7975 -0.0179 -0.0165 0.0029 162 GLU D OE2 9660 N N . LEU D 96 ? 0.4147 0.4698 0.3903 -0.0117 -0.0153 -0.0003 163 LEU D N 9661 C CA . LEU D 96 ? 0.4089 0.4617 0.3842 -0.0116 -0.0150 -0.0010 163 LEU D CA 9662 C C . LEU D 96 ? 0.4253 0.4764 0.3989 -0.0134 -0.0147 -0.0011 163 LEU D C 9663 O O . LEU D 96 ? 0.5268 0.5791 0.4996 -0.0148 -0.0149 -0.0006 163 LEU D O 9664 C CB . LEU D 96 ? 0.4516 0.5054 0.4277 -0.0110 -0.0154 -0.0009 163 LEU D CB 9665 C CG . LEU D 96 ? 0.4683 0.5201 0.4441 -0.0112 -0.0151 -0.0015 163 LEU D CG 9666 C CD1 . LEU D 96 ? 0.4815 0.5320 0.4579 -0.0100 -0.0148 -0.0022 163 LEU D CD1 9667 C CD2 . LEU D 96 ? 0.4834 0.5359 0.4595 -0.0110 -0.0157 -0.0012 163 LEU D CD2 9668 N N . GLY D 97 ? 0.4451 0.4935 0.4180 -0.0134 -0.0142 -0.0018 164 GLY D N 9669 C CA . GLY D 97 ? 0.4370 0.4832 0.4080 -0.0148 -0.0137 -0.0022 164 GLY D CA 9670 C C . GLY D 97 ? 0.4481 0.4922 0.4174 -0.0155 -0.0136 -0.0021 164 GLY D C 9671 O O . GLY D 97 ? 0.4274 0.4687 0.3949 -0.0164 -0.0132 -0.0027 164 GLY D O 9672 N N . VAL D 98 ? 0.4395 0.4849 0.4093 -0.0152 -0.0140 -0.0014 165 VAL D N 9673 C CA . VAL D 98 ? 0.4185 0.4617 0.3865 -0.0160 -0.0141 -0.0012 165 VAL D CA 9674 C C . VAL D 98 ? 0.4484 0.4896 0.4171 -0.0141 -0.0139 -0.0017 165 VAL D C 9675 O O . VAL D 98 ? 0.4961 0.5392 0.4667 -0.0127 -0.0141 -0.0015 165 VAL D O 9676 C CB . VAL D 98 ? 0.4422 0.4880 0.4101 -0.0169 -0.0146 -0.0002 165 VAL D CB 9677 C CG1 . VAL D 98 ? 0.4069 0.4500 0.3727 -0.0177 -0.0148 0.0000 165 VAL D CG1 9678 C CG2 . VAL D 98 ? 0.4567 0.5049 0.4239 -0.0188 -0.0148 0.0002 165 VAL D CG2 9679 N N . PRO D 99 ? 0.4713 0.5088 0.4386 -0.0140 -0.0136 -0.0022 166 PRO D N 9680 C CA . PRO D 99 ? 0.5042 0.5403 0.4724 -0.0119 -0.0136 -0.0027 166 PRO D CA 9681 C C . PRO D 99 ? 0.4730 0.5090 0.4410 -0.0116 -0.0141 -0.0018 166 PRO D C 9682 O O . PRO D 99 ? 0.4661 0.5028 0.4330 -0.0131 -0.0145 -0.0010 166 PRO D O 9683 C CB . PRO D 99 ? 0.5310 0.5629 0.4973 -0.0119 -0.0131 -0.0035 166 PRO D CB 9684 C CG . PRO D 99 ? 0.5315 0.5623 0.4955 -0.0141 -0.0130 -0.0035 166 PRO D CG 9685 C CD . PRO D 99 ? 0.4740 0.5085 0.4387 -0.0155 -0.0133 -0.0026 166 PRO D CD 9686 N N . PHE D 100 ? 0.4505 0.4864 0.4199 -0.0098 -0.0142 -0.0020 167 PHE D N 9687 C CA . PHE D 100 ? 0.4845 0.5209 0.4541 -0.0094 -0.0148 -0.0012 167 PHE D CA 9688 C C . PHE D 100 ? 0.5066 0.5387 0.4736 -0.0098 -0.0151 -0.0009 167 PHE D C 9689 O O . PHE D 100 ? 0.5485 0.5784 0.5155 -0.0083 -0.0152 -0.0011 167 PHE D O 9690 C CB . PHE D 100 ? 0.4627 0.5007 0.4346 -0.0074 -0.0148 -0.0015 167 PHE D CB 9691 C CG . PHE D 100 ? 0.4845 0.5262 0.4585 -0.0070 -0.0146 -0.0017 167 PHE D CG 9692 C CD1 . PHE D 100 ? 0.4738 0.5181 0.4481 -0.0078 -0.0149 -0.0011 167 PHE D CD1 9693 C CD2 . PHE D 100 ? 0.4787 0.5212 0.4543 -0.0059 -0.0142 -0.0025 167 PHE D CD2 9694 C CE1 . PHE D 100 ? 0.4467 0.4937 0.4227 -0.0073 -0.0148 -0.0014 167 PHE D CE1 9695 C CE2 . PHE D 100 ? 0.4285 0.4735 0.4054 -0.0057 -0.0142 -0.0026 167 PHE D CE2 9696 C CZ . PHE D 100 ? 0.4431 0.4901 0.4202 -0.0063 -0.0145 -0.0021 167 PHE D CZ 9697 N N . HIS D 101 ? 0.5141 0.5452 0.4788 -0.0120 -0.0154 -0.0003 168 HIS D N 9698 C CA . HIS D 101 ? 0.5277 0.5543 0.4892 -0.0130 -0.0158 0.0001 168 HIS D CA 9699 C C . HIS D 101 ? 0.5354 0.5629 0.4964 -0.0138 -0.0166 0.0013 168 HIS D C 9700 O O . HIS D 101 ? 0.5164 0.5481 0.4796 -0.0133 -0.0167 0.0016 168 HIS D O 9701 C CB . HIS D 101 ? 0.5722 0.5970 0.5311 -0.0154 -0.0156 0.0000 168 HIS D CB 9702 C CG . HIS D 101 ? 0.5976 0.6265 0.5567 -0.0174 -0.0157 0.0007 168 HIS D CG 9703 N ND1 . HIS D 101 ? 0.6444 0.6739 0.6018 -0.0194 -0.0164 0.0018 168 HIS D ND1 9704 C CD2 . HIS D 101 ? 0.6757 0.7087 0.6367 -0.0177 -0.0154 0.0005 168 HIS D CD2 9705 C CE1 . HIS D 101 ? 0.5988 0.6330 0.5572 -0.0207 -0.0163 0.0021 168 HIS D CE1 9706 N NE2 . HIS D 101 ? 0.6864 0.7225 0.6469 -0.0195 -0.0157 0.0014 168 HIS D NE2 9707 N N . LEU D 102 ? 0.5554 0.5790 0.5132 -0.0150 -0.0172 0.0020 169 LEU D N 9708 C CA . LEU D 102 ? 0.5820 0.6061 0.5389 -0.0160 -0.0180 0.0032 169 LEU D CA 9709 C C . LEU D 102 ? 0.5826 0.6115 0.5397 -0.0181 -0.0181 0.0039 169 LEU D C 9710 O O . LEU D 102 ? 0.5752 0.6058 0.5323 -0.0186 -0.0186 0.0048 169 LEU D O 9711 C CB . LEU D 102 ? 0.6232 0.6413 0.5761 -0.0171 -0.0188 0.0039 169 LEU D CB 9712 C CG . LEU D 102 ? 0.5902 0.6039 0.5429 -0.0145 -0.0191 0.0037 169 LEU D CG 9713 C CD1 . LEU D 102 ? 0.6588 0.6659 0.6070 -0.0157 -0.0200 0.0043 169 LEU D CD1 9714 C CD2 . LEU D 102 ? 0.6005 0.6170 0.5557 -0.0127 -0.0195 0.0041 169 LEU D CD2 9715 N N . GLY D 103 ? 0.5396 0.5708 0.4969 -0.0195 -0.0177 0.0036 170 GLY D N 9716 C CA . GLY D 103 ? 0.5138 0.5505 0.4720 -0.0210 -0.0177 0.0041 170 GLY D CA 9717 C C . GLY D 103 ? 0.5631 0.6048 0.5251 -0.0190 -0.0172 0.0036 170 GLY D C 9718 O O . GLY D 103 ? 0.5617 0.6082 0.5248 -0.0197 -0.0172 0.0038 170 GLY D O 9719 N N . THR D 104 ? 0.4783 0.5189 0.4422 -0.0165 -0.0169 0.0029 171 THR D N 9720 C CA . THR D 104 ? 0.4542 0.4989 0.4213 -0.0148 -0.0166 0.0024 171 THR D CA 9721 C C . THR D 104 ? 0.4659 0.5136 0.4338 -0.0146 -0.0169 0.0028 171 THR D C 9722 O O . THR D 104 ? 0.4525 0.4984 0.4194 -0.0146 -0.0174 0.0033 171 THR D O 9723 C CB . THR D 104 ? 0.4598 0.5026 0.4284 -0.0125 -0.0163 0.0015 171 THR D CB 9724 O OG1 . THR D 104 ? 0.5216 0.5618 0.4894 -0.0127 -0.0159 0.0009 171 THR D OG1 9725 C CG2 . THR D 104 ? 0.4669 0.5133 0.4383 -0.0110 -0.0160 0.0010 171 THR D CG2 9726 N N . LYS D 105 ? 0.4312 0.4835 0.4010 -0.0143 -0.0167 0.0026 172 LYS D N 9727 C CA . LYS D 105 ? 0.4729 0.5286 0.4437 -0.0139 -0.0168 0.0027 172 LYS D CA 9728 C C . LYS D 105 ? 0.5080 0.5632 0.4805 -0.0118 -0.0167 0.0022 172 LYS D C 9729 O O . LYS D 105 ? 0.4486 0.5035 0.4226 -0.0103 -0.0164 0.0015 172 LYS D O 9730 C CB . LYS D 105 ? 0.4890 0.5495 0.4611 -0.0140 -0.0165 0.0025 172 LYS D CB 9731 C CG . LYS D 105 ? 0.6018 0.6661 0.5748 -0.0137 -0.0165 0.0025 172 LYS D CG 9732 C CD . LYS D 105 ? 0.6751 0.7444 0.6491 -0.0139 -0.0163 0.0023 172 LYS D CD 9733 C CE . LYS D 105 ? 0.9015 0.9748 0.8759 -0.0139 -0.0163 0.0022 172 LYS D CE 9734 N NZ . LYS D 105 ? 1.0241 1.1018 0.9980 -0.0158 -0.0163 0.0027 172 LYS D NZ 9735 N N . GLN D 106 ? 0.5192 0.5743 0.4912 -0.0119 -0.0170 0.0027 173 GLN D N 9736 C CA . GLN D 106 ? 0.5037 0.5594 0.4773 -0.0102 -0.0170 0.0023 173 GLN D CA 9737 C C . GLN D 106 ? 0.5256 0.5858 0.5003 -0.0101 -0.0168 0.0020 173 GLN D C 9738 O O . GLN D 106 ? 0.5116 0.5738 0.4854 -0.0113 -0.0170 0.0025 173 GLN D O 9739 C CB . GLN D 106 ? 0.4702 0.5237 0.4426 -0.0104 -0.0176 0.0030 173 GLN D CB 9740 C CG . GLN D 106 ? 0.5128 0.5617 0.4840 -0.0102 -0.0179 0.0033 173 GLN D CG 9741 C CD . GLN D 106 ? 0.4817 0.5280 0.4513 -0.0105 -0.0186 0.0043 173 GLN D CD 9742 O OE1 . GLN D 106 ? 0.4790 0.5249 0.4496 -0.0091 -0.0189 0.0042 173 GLN D OE1 9743 N NE2 . GLN D 106 ? 0.5113 0.5559 0.4783 -0.0125 -0.0191 0.0052 173 GLN D NE2 9744 N N . VAL D 107 ? 0.4748 0.5363 0.4512 -0.0086 -0.0164 0.0011 174 VAL D N 9745 C CA . VAL D 107 ? 0.4689 0.5343 0.4463 -0.0082 -0.0161 0.0006 174 VAL D CA 9746 C C . VAL D 107 ? 0.5099 0.5766 0.4877 -0.0076 -0.0161 0.0003 174 VAL D C 9747 O O . VAL D 107 ? 0.4720 0.5421 0.4501 -0.0076 -0.0159 0.0000 174 VAL D O 9748 C CB . VAL D 107 ? 0.5097 0.5751 0.4883 -0.0069 -0.0158 -0.0001 174 VAL D CB 9749 C CG1 . VAL D 107 ? 0.5942 0.6611 0.5740 -0.0054 -0.0156 -0.0009 174 VAL D CG1 9750 C CG2 . VAL D 107 ? 0.5512 0.6183 0.5297 -0.0077 -0.0158 0.0001 174 VAL D CG2 9751 N N . CYS D 108 ? 0.4557 0.5202 0.4336 -0.0070 -0.0163 0.0004 175 CYS D N 9752 C CA . CYS D 108 ? 0.4655 0.5312 0.4435 -0.0068 -0.0164 0.0002 175 CYS D CA 9753 C C . CYS D 108 ? 0.4688 0.5318 0.4467 -0.0064 -0.0168 0.0006 175 CYS D C 9754 O O . CYS D 108 ? 0.4653 0.5256 0.4431 -0.0061 -0.0169 0.0008 175 CYS D O 9755 C CB . CYS D 108 ? 0.4733 0.5408 0.4524 -0.0054 -0.0160 -0.0009 175 CYS D CB 9756 S SG . CYS D 108 ? 0.5740 0.6386 0.5540 -0.0041 -0.0159 -0.0014 175 CYS D SG 9757 N N . ILE D 109 ? 0.4328 0.4965 0.4106 -0.0064 -0.0170 0.0007 176 ILE D N 9758 C CA . ILE D 109 ? 0.4226 0.4844 0.4005 -0.0059 -0.0175 0.0012 176 ILE D CA 9759 C C . ILE D 109 ? 0.4406 0.5025 0.4197 -0.0047 -0.0171 0.0003 176 ILE D C 9760 O O . ILE D 109 ? 0.3888 0.4525 0.3682 -0.0045 -0.0168 -0.0004 176 ILE D O 9761 C CB . ILE D 109 ? 0.4392 0.5022 0.4163 -0.0067 -0.0180 0.0019 176 ILE D CB 9762 C CG1 . ILE D 109 ? 0.4763 0.5397 0.4518 -0.0084 -0.0183 0.0028 176 ILE D CG1 9763 C CG2 . ILE D 109 ? 0.4433 0.5045 0.4204 -0.0062 -0.0186 0.0026 176 ILE D CG2 9764 C CD1 . ILE D 109 ? 0.5199 0.5848 0.4943 -0.0096 -0.0188 0.0035 176 ILE D CD1 9765 N N . ALA D 110 ? 0.4343 0.4943 0.4140 -0.0039 -0.0172 0.0003 177 ALA D N 9766 C CA . ALA D 110 ? 0.4378 0.4979 0.4185 -0.0031 -0.0169 -0.0005 177 ALA D CA 9767 C C . ALA D 110 ? 0.4489 0.5076 0.4302 -0.0024 -0.0170 -0.0004 177 ALA D C 9768 O O . ALA D 110 ? 0.4445 0.5016 0.4257 -0.0022 -0.0170 -0.0001 177 ALA D O 9769 C CB . ALA D 110 ? 0.4665 0.5265 0.4474 -0.0029 -0.0164 -0.0013 177 ALA D CB 9770 N N . TRP D 111 ? 0.4504 0.5101 0.4322 -0.0021 -0.0171 -0.0007 178 TRP D N 9771 C CA . TRP D 111 ? 0.4290 0.4883 0.4117 -0.0015 -0.0171 -0.0009 178 TRP D CA 9772 C C . TRP D 111 ? 0.4067 0.4663 0.3896 -0.0015 -0.0167 -0.0018 178 TRP D C 9773 O O . TRP D 111 ? 0.3540 0.4139 0.3376 -0.0013 -0.0166 -0.0020 178 TRP D O 9774 C CB . TRP D 111 ? 0.4352 0.4954 0.4183 -0.0011 -0.0176 -0.0002 178 TRP D CB 9775 C CG . TRP D 111 ? 0.4824 0.5445 0.4652 -0.0017 -0.0179 0.0000 178 TRP D CG 9776 C CD1 . TRP D 111 ? 0.4983 0.5608 0.4807 -0.0019 -0.0185 0.0009 178 TRP D CD1 9777 C CD2 . TRP D 111 ? 0.4560 0.5195 0.4388 -0.0022 -0.0177 -0.0007 178 TRP D CD2 9778 N NE1 . TRP D 111 ? 0.4436 0.5081 0.4258 -0.0025 -0.0187 0.0008 178 TRP D NE1 9779 C CE2 . TRP D 111 ? 0.4811 0.5462 0.4635 -0.0027 -0.0182 -0.0001 178 TRP D CE2 9780 C CE3 . TRP D 111 ? 0.4592 0.5226 0.4420 -0.0023 -0.0173 -0.0016 178 TRP D CE3 9781 C CZ2 . TRP D 111 ? 0.5170 0.5834 0.4988 -0.0034 -0.0181 -0.0007 178 TRP D CZ2 9782 C CZ3 . TRP D 111 ? 0.5020 0.5664 0.4841 -0.0030 -0.0173 -0.0021 178 TRP D CZ3 9783 C CH2 . TRP D 111 ? 0.5179 0.5838 0.4995 -0.0036 -0.0177 -0.0017 178 TRP D CH2 9784 N N . SER D 112 ? 0.4398 0.4995 0.4221 -0.0019 -0.0164 -0.0023 179 SER D N 9785 C CA . SER D 112 ? 0.4283 0.4873 0.4105 -0.0019 -0.0161 -0.0031 179 SER D CA 9786 C C . SER D 112 ? 0.4481 0.5068 0.4297 -0.0018 -0.0160 -0.0034 179 SER D C 9787 O O . SER D 112 ? 0.4163 0.4761 0.3977 -0.0019 -0.0160 -0.0033 179 SER D O 9788 C CB . SER D 112 ? 0.4672 0.5269 0.4490 -0.0023 -0.0162 -0.0036 179 SER D CB 9789 O OG . SER D 112 ? 0.4478 0.5063 0.4290 -0.0024 -0.0161 -0.0043 179 SER D OG 9790 N N . SER D 113 ? 0.3763 0.4339 0.3578 -0.0017 -0.0158 -0.0038 180 SER D N 9791 C CA . SER D 113 ? 0.4183 0.4761 0.3996 -0.0014 -0.0157 -0.0040 180 SER D CA 9792 C C . SER D 113 ? 0.4106 0.4670 0.3915 -0.0011 -0.0157 -0.0045 180 SER D C 9793 O O . SER D 113 ? 0.4164 0.4716 0.3972 -0.0014 -0.0157 -0.0046 180 SER D O 9794 C CB . SER D 113 ? 0.4476 0.5057 0.4292 -0.0016 -0.0157 -0.0034 180 SER D CB 9795 O OG . SER D 113 ? 0.4988 0.5556 0.4805 -0.0018 -0.0156 -0.0033 180 SER D OG 9796 N N . SER D 114 ? 0.4064 0.4633 0.3870 -0.0006 -0.0157 -0.0047 181 SER D N 9797 C CA . SER D 114 ? 0.4834 0.5391 0.4638 -0.0001 -0.0158 -0.0050 181 SER D CA 9798 C C . SER D 114 ? 0.4669 0.5244 0.4476 0.0004 -0.0158 -0.0048 181 SER D C 9799 O O . SER D 114 ? 0.4756 0.5350 0.4565 0.0005 -0.0156 -0.0049 181 SER D O 9800 C CB . SER D 114 ? 0.5173 0.5715 0.4966 0.0002 -0.0160 -0.0057 181 SER D CB 9801 O OG . SER D 114 ? 0.4800 0.5327 0.4588 0.0009 -0.0163 -0.0058 181 SER D OG 9802 N N . SER D 115 ? 0.4536 0.5107 0.4344 0.0005 -0.0159 -0.0046 182 SER D N 9803 C CA . SER D 115 ? 0.4425 0.5018 0.4238 0.0010 -0.0159 -0.0044 182 SER D CA 9804 C C . SER D 115 ? 0.4534 0.5120 0.4345 0.0019 -0.0163 -0.0045 182 SER D C 9805 O O . SER D 115 ? 0.4564 0.5126 0.4369 0.0016 -0.0166 -0.0045 182 SER D O 9806 C CB . SER D 115 ? 0.4653 0.5257 0.4469 -0.0001 -0.0158 -0.0036 182 SER D CB 9807 O OG . SER D 115 ? 0.5355 0.5962 0.5171 -0.0009 -0.0156 -0.0034 182 SER D OG 9808 N N . CYS D 116 ? 0.5175 0.5783 0.4990 0.0029 -0.0164 -0.0047 183 CYS D N 9809 C CA . CYS D 116 ? 0.5021 0.5625 0.4836 0.0040 -0.0168 -0.0046 183 CYS D CA 9810 C C . CYS D 116 ? 0.5410 0.6052 0.5234 0.0050 -0.0168 -0.0046 183 CYS D C 9811 O O . CYS D 116 ? 0.4570 0.5240 0.4399 0.0050 -0.0164 -0.0049 183 CYS D O 9812 C CB . CYS D 116 ? 0.5227 0.5801 0.5031 0.0053 -0.0172 -0.0053 183 CYS D CB 9813 S SG . CYS D 116 ? 0.6160 0.6735 0.5959 0.0063 -0.0169 -0.0065 183 CYS D SG 9814 N N . HIS D 117 ? 0.5603 0.6250 0.5429 0.0057 -0.0173 -0.0042 184 HIS D N 9815 C CA . HIS D 117 ? 0.5121 0.5813 0.4959 0.0066 -0.0173 -0.0041 184 HIS D CA 9816 C C . HIS D 117 ? 0.5150 0.5835 0.4986 0.0092 -0.0178 -0.0047 184 HIS D C 9817 O O . HIS D 117 ? 0.4575 0.5223 0.4402 0.0095 -0.0185 -0.0045 184 HIS D O 9818 C CB . HIS D 117 ? 0.5099 0.5806 0.4940 0.0052 -0.0175 -0.0031 184 HIS D CB 9819 C CG . HIS D 117 ? 0.5199 0.5958 0.5050 0.0053 -0.0175 -0.0028 184 HIS D CG 9820 N ND1 . HIS D 117 ? 0.5464 0.6249 0.5324 0.0073 -0.0179 -0.0029 184 HIS D ND1 9821 C CD2 . HIS D 117 ? 0.5180 0.5971 0.5034 0.0036 -0.0171 -0.0024 184 HIS D CD2 9822 C CE1 . HIS D 117 ? 0.5319 0.6157 0.5189 0.0069 -0.0177 -0.0026 184 HIS D CE1 9823 N NE2 . HIS D 117 ? 0.5308 0.6149 0.5173 0.0045 -0.0172 -0.0023 184 HIS D NE2 9824 N N . ASP D 118 ? 0.4770 0.5489 0.4614 0.0110 -0.0176 -0.0054 185 ASP D N 9825 C CA . ASP D 118 ? 0.4370 0.5078 0.4211 0.0139 -0.0181 -0.0062 185 ASP D CA 9826 C C . ASP D 118 ? 0.5138 0.5878 0.4991 0.0154 -0.0186 -0.0058 185 ASP D C 9827 O O . ASP D 118 ? 0.5075 0.5814 0.4928 0.0181 -0.0191 -0.0064 185 ASP D O 9828 C CB . ASP D 118 ? 0.4776 0.5498 0.4618 0.0153 -0.0175 -0.0076 185 ASP D CB 9829 C CG . ASP D 118 ? 0.4590 0.5377 0.4447 0.0154 -0.0169 -0.0078 185 ASP D CG 9830 O OD1 . ASP D 118 ? 0.4846 0.5668 0.4714 0.0143 -0.0170 -0.0068 185 ASP D OD1 9831 O OD2 . ASP D 118 ? 0.4931 0.5734 0.4788 0.0163 -0.0163 -0.0090 185 ASP D OD2 9832 N N . GLY D 119 ? 0.5491 0.6259 0.5352 0.0136 -0.0187 -0.0046 186 GLY D N 9833 C CA . GLY D 119 ? 0.5546 0.6357 0.5420 0.0145 -0.0192 -0.0040 186 GLY D CA 9834 C C . GLY D 119 ? 0.5625 0.6506 0.5514 0.0142 -0.0186 -0.0041 186 GLY D C 9835 O O . GLY D 119 ? 0.5704 0.6626 0.5603 0.0137 -0.0189 -0.0032 186 GLY D O 9836 N N . LYS D 120 ? 0.5372 0.6267 0.5262 0.0142 -0.0178 -0.0050 187 LYS D N 9837 C CA . LYS D 120 ? 0.5584 0.6544 0.5485 0.0132 -0.0171 -0.0051 187 LYS D CA 9838 C C . LYS D 120 ? 0.5747 0.6703 0.5640 0.0099 -0.0165 -0.0047 187 LYS D C 9839 O O . LYS D 120 ? 0.5537 0.6536 0.5433 0.0080 -0.0163 -0.0040 187 LYS D O 9840 C CB . LYS D 120 ? 0.6326 0.7313 0.6232 0.0156 -0.0166 -0.0066 187 LYS D CB 9841 C CG . LYS D 120 ? 0.7140 0.8137 0.7054 0.0192 -0.0171 -0.0072 187 LYS D CG 9842 C CD . LYS D 120 ? 0.7691 0.8730 0.7614 0.0217 -0.0165 -0.0088 187 LYS D CD 9843 C CE . LYS D 120 ? 0.8029 0.9090 0.7964 0.0254 -0.0172 -0.0091 187 LYS D CE 9844 N NZ . LYS D 120 ? 0.8933 0.9967 0.8862 0.0289 -0.0171 -0.0108 187 LYS D NZ 9845 N N . ALA D 121 ? 0.5653 0.6558 0.5534 0.0093 -0.0164 -0.0050 188 ALA D N 9846 C CA . ALA D 121 ? 0.4995 0.5893 0.4868 0.0067 -0.0159 -0.0046 188 ALA D CA 9847 C C . ALA D 121 ? 0.4604 0.5440 0.4464 0.0061 -0.0160 -0.0046 188 ALA D C 9848 O O . ALA D 121 ? 0.4515 0.5316 0.4372 0.0076 -0.0162 -0.0051 188 ALA D O 9849 C CB . ALA D 121 ? 0.4612 0.5548 0.4488 0.0068 -0.0153 -0.0054 188 ALA D CB 9850 N N . TRP D 122 ? 0.4826 0.5653 0.4680 0.0037 -0.0157 -0.0041 189 TRP D N 9851 C CA . TRP D 122 ? 0.4669 0.5448 0.4514 0.0030 -0.0157 -0.0040 189 TRP D CA 9852 C C . TRP D 122 ? 0.3898 0.4672 0.3740 0.0036 -0.0154 -0.0049 189 TRP D C 9853 O O . TRP D 122 ? 0.3959 0.4765 0.3802 0.0032 -0.0150 -0.0051 189 TRP D O 9854 C CB . TRP D 122 ? 0.4372 0.5142 0.4210 0.0005 -0.0156 -0.0031 189 TRP D CB 9855 C CG . TRP D 122 ? 0.4541 0.5299 0.4378 -0.0001 -0.0160 -0.0024 189 TRP D CG 9856 C CD1 . TRP D 122 ? 0.4162 0.4945 0.3999 -0.0014 -0.0161 -0.0016 189 TRP D CD1 9857 C CD2 . TRP D 122 ? 0.4368 0.5085 0.4201 0.0000 -0.0162 -0.0023 189 TRP D CD2 9858 N NE1 . TRP D 122 ? 0.4597 0.5356 0.4430 -0.0019 -0.0164 -0.0012 189 TRP D NE1 9859 C CE2 . TRP D 122 ? 0.4376 0.5096 0.4208 -0.0010 -0.0164 -0.0016 189 TRP D CE2 9860 C CE3 . TRP D 122 ? 0.4333 0.5014 0.4162 0.0007 -0.0162 -0.0028 189 TRP D CE3 9861 C CZ2 . TRP D 122 ? 0.4649 0.5338 0.4476 -0.0012 -0.0167 -0.0014 189 TRP D CZ2 9862 C CZ3 . TRP D 122 ? 0.4138 0.4789 0.3963 0.0003 -0.0165 -0.0026 189 TRP D CZ3 9863 C CH2 . TRP D 122 ? 0.4092 0.4747 0.3916 -0.0005 -0.0167 -0.0019 189 TRP D CH2 9864 N N . LEU D 123 ? 0.4378 0.5112 0.4214 0.0043 -0.0155 -0.0053 190 LEU D N 9865 C CA . LEU D 123 ? 0.4329 0.5048 0.4158 0.0042 -0.0152 -0.0060 190 LEU D CA 9866 C C . LEU D 123 ? 0.4444 0.5134 0.4268 0.0027 -0.0153 -0.0053 190 LEU D C 9867 O O . LEU D 123 ? 0.4274 0.4937 0.4096 0.0024 -0.0156 -0.0050 190 LEU D O 9868 C CB . LEU D 123 ? 0.4392 0.5086 0.4215 0.0061 -0.0154 -0.0070 190 LEU D CB 9869 C CG . LEU D 123 ? 0.4333 0.5009 0.4147 0.0058 -0.0152 -0.0077 190 LEU D CG 9870 C CD1 . LEU D 123 ? 0.4330 0.5041 0.4145 0.0059 -0.0147 -0.0083 190 LEU D CD1 9871 C CD2 . LEU D 123 ? 0.4395 0.5035 0.4198 0.0072 -0.0154 -0.0085 190 LEU D CD2 9872 N N . HIS D 124 ? 0.4478 0.5174 0.4300 0.0016 -0.0151 -0.0052 191 HIS D N 9873 C CA . HIS D 124 ? 0.4635 0.5306 0.4452 0.0006 -0.0152 -0.0047 191 HIS D CA 9874 C C . HIS D 124 ? 0.4691 0.5357 0.4503 0.0008 -0.0151 -0.0053 191 HIS D C 9875 O O . HIS D 124 ? 0.4770 0.5459 0.4581 0.0008 -0.0149 -0.0056 191 HIS D O 9876 C CB . HIS D 124 ? 0.4477 0.5154 0.4293 -0.0009 -0.0152 -0.0037 191 HIS D CB 9877 C CG . HIS D 124 ? 0.4680 0.5366 0.4498 -0.0015 -0.0153 -0.0031 191 HIS D CG 9878 N ND1 . HIS D 124 ? 0.4636 0.5300 0.4454 -0.0016 -0.0154 -0.0029 191 HIS D ND1 9879 C CD2 . HIS D 124 ? 0.4077 0.4793 0.3895 -0.0023 -0.0152 -0.0027 191 HIS D CD2 9880 C CE1 . HIS D 124 ? 0.3824 0.4503 0.3642 -0.0023 -0.0155 -0.0024 191 HIS D CE1 9881 N NE2 . HIS D 124 ? 0.4140 0.4850 0.3958 -0.0028 -0.0154 -0.0022 191 HIS D NE2 9882 N N . VAL D 125 ? 0.4262 0.4900 0.4071 0.0007 -0.0152 -0.0054 192 VAL D N 9883 C CA . VAL D 125 ? 0.4381 0.5013 0.4184 0.0004 -0.0152 -0.0057 192 VAL D CA 9884 C C . VAL D 125 ? 0.4874 0.5501 0.4679 -0.0006 -0.0154 -0.0049 192 VAL D C 9885 O O . VAL D 125 ? 0.5195 0.5804 0.5002 -0.0008 -0.0155 -0.0045 192 VAL D O 9886 C CB . VAL D 125 ? 0.5060 0.5667 0.4856 0.0010 -0.0153 -0.0064 192 VAL D CB 9887 C CG1 . VAL D 125 ? 0.5439 0.6042 0.5227 0.0005 -0.0153 -0.0068 192 VAL D CG1 9888 C CG2 . VAL D 125 ? 0.4456 0.5061 0.4248 0.0024 -0.0153 -0.0073 192 VAL D CG2 9889 N N . CYS D 126 ? 0.4814 0.5456 0.4617 -0.0012 -0.0154 -0.0045 193 CYS D N 9890 C CA . CYS D 126 ? 0.4610 0.5249 0.4414 -0.0021 -0.0157 -0.0036 193 CYS D CA 9891 C C . CYS D 126 ? 0.4669 0.5312 0.4470 -0.0024 -0.0159 -0.0035 193 CYS D C 9892 O O . CYS D 126 ? 0.4657 0.5318 0.4454 -0.0027 -0.0158 -0.0038 193 CYS D O 9893 C CB . CYS D 126 ? 0.5188 0.5841 0.4991 -0.0028 -0.0157 -0.0028 193 CYS D CB 9894 S SG . CYS D 126 ? 0.5973 0.6627 0.5779 -0.0026 -0.0156 -0.0028 193 CYS D SG 9895 N N . VAL D 127 ? 0.4849 0.5481 0.4653 -0.0025 -0.0161 -0.0032 194 VAL D N 9896 C CA . VAL D 127 ? 0.4407 0.5045 0.4208 -0.0029 -0.0163 -0.0031 194 VAL D CA 9897 C C . VAL D 127 ? 0.4651 0.5290 0.4456 -0.0032 -0.0168 -0.0020 194 VAL D C 9898 O O . VAL D 127 ? 0.4549 0.5175 0.4359 -0.0029 -0.0169 -0.0016 194 VAL D O 9899 C CB . VAL D 127 ? 0.4757 0.5385 0.4557 -0.0028 -0.0163 -0.0037 194 VAL D CB 9900 C CG1 . VAL D 127 ? 0.4859 0.5499 0.4655 -0.0035 -0.0166 -0.0037 194 VAL D CG1 9901 C CG2 . VAL D 127 ? 0.4656 0.5273 0.4450 -0.0024 -0.0160 -0.0048 194 VAL D CG2 9902 N N . THR D 128 ? 0.4113 0.4766 0.3912 -0.0039 -0.0171 -0.0014 195 THR D N 9903 C CA . THR D 128 ? 0.4408 0.5060 0.4209 -0.0041 -0.0178 -0.0002 195 THR D CA 9904 C C . THR D 128 ? 0.4408 0.5078 0.4204 -0.0048 -0.0182 0.0001 195 THR D C 9905 O O . THR D 128 ? 0.4782 0.5464 0.4573 -0.0052 -0.0179 -0.0006 195 THR D O 9906 C CB . THR D 128 ? 0.4546 0.5191 0.4342 -0.0045 -0.0179 0.0005 195 THR D CB 9907 O OG1 . THR D 128 ? 0.4172 0.4806 0.3965 -0.0045 -0.0187 0.0017 195 THR D OG1 9908 C CG2 . THR D 128 ? 0.4736 0.5400 0.4522 -0.0055 -0.0178 0.0004 195 THR D CG2 9909 N N . GLY D 129 ? 0.4093 0.4761 0.3888 -0.0049 -0.0189 0.0013 196 GLY D N 9910 C CA . GLY D 129 ? 0.4592 0.5277 0.4383 -0.0056 -0.0195 0.0020 196 GLY D CA 9911 C C . GLY D 129 ? 0.4418 0.5110 0.4218 -0.0051 -0.0200 0.0023 196 GLY D C 9912 O O . GLY D 129 ? 0.4595 0.5278 0.4405 -0.0041 -0.0198 0.0021 196 GLY D O 9913 N N . ASP D 130 ? 0.4581 0.5292 0.4376 -0.0059 -0.0204 0.0027 197 ASP D N 9914 C CA . ASP D 130 ? 0.4053 0.4779 0.3856 -0.0058 -0.0208 0.0029 197 ASP D CA 9915 C C . ASP D 130 ? 0.4574 0.5300 0.4382 -0.0055 -0.0201 0.0016 197 ASP D C 9916 O O . ASP D 130 ? 0.4602 0.5322 0.4403 -0.0060 -0.0194 0.0004 197 ASP D O 9917 C CB . ASP D 130 ? 0.4667 0.5416 0.4460 -0.0071 -0.0212 0.0032 197 ASP D CB 9918 C CG . ASP D 130 ? 0.5128 0.5881 0.4914 -0.0077 -0.0221 0.0047 197 ASP D CG 9919 O OD1 . ASP D 130 ? 0.5916 0.6655 0.5706 -0.0068 -0.0227 0.0058 197 ASP D OD1 9920 O OD2 . ASP D 130 ? 0.5534 0.6304 0.5307 -0.0091 -0.0222 0.0047 197 ASP D OD2 9921 N N . ASP D 131 ? 0.4654 0.5386 0.4474 -0.0048 -0.0204 0.0019 198 ASP D N 9922 C CA . ASP D 131 ? 0.4982 0.5716 0.4806 -0.0048 -0.0198 0.0009 198 ASP D CA 9923 C C . ASP D 131 ? 0.5289 0.6028 0.5099 -0.0063 -0.0195 0.0000 198 ASP D C 9924 O O . ASP D 131 ? 0.4372 0.5095 0.4175 -0.0064 -0.0188 -0.0012 198 ASP D O 9925 C CB . ASP D 131 ? 0.6024 0.6780 0.5862 -0.0043 -0.0203 0.0014 198 ASP D CB 9926 C CG . ASP D 131 ? 0.6132 0.6880 0.5985 -0.0027 -0.0203 0.0017 198 ASP D CG 9927 O OD1 . ASP D 131 ? 0.6946 0.7668 0.6796 -0.0020 -0.0201 0.0018 198 ASP D OD1 9928 O OD2 . ASP D 131 ? 0.8593 0.9360 0.8458 -0.0021 -0.0204 0.0018 198 ASP D OD2 9929 N N . ARG D 132 ? 0.4473 0.5232 0.4276 -0.0073 -0.0199 0.0003 199 ARG D N 9930 C CA . ARG D 132 ? 0.4990 0.5753 0.4776 -0.0088 -0.0197 -0.0005 199 ARG D CA 9931 C C . ARG D 132 ? 0.4699 0.5455 0.4470 -0.0094 -0.0193 -0.0012 199 ARG D C 9932 O O . ARG D 132 ? 0.5369 0.6129 0.5123 -0.0107 -0.0192 -0.0019 199 ARG D O 9933 C CB . ARG D 132 ? 0.5416 0.6210 0.5203 -0.0098 -0.0204 0.0002 199 ARG D CB 9934 C CG . ARG D 132 ? 0.6449 0.7260 0.6255 -0.0090 -0.0208 0.0008 199 ARG D CG 9935 C CD . ARG D 132 ? 0.7193 0.8010 0.6994 -0.0100 -0.0205 0.0000 199 ARG D CD 9936 N NE . ARG D 132 ? 0.9305 1.0138 0.9126 -0.0090 -0.0206 0.0003 199 ARG D NE 9937 C CZ . ARG D 132 ? 0.8636 0.9486 0.8458 -0.0099 -0.0205 0.0000 199 ARG D CZ 9938 N NH1 . ARG D 132 ? 0.7802 0.8649 0.7603 -0.0119 -0.0203 -0.0008 199 ARG D NH1 9939 N NH2 . ARG D 132 ? 0.8560 0.9428 0.8402 -0.0087 -0.0206 0.0002 199 ARG D NH2 9940 N N . ASN D 133 ? 0.4725 0.5472 0.4498 -0.0087 -0.0192 -0.0009 200 ASN D N 9941 C CA . ASN D 133 ? 0.5030 0.5776 0.4789 -0.0093 -0.0188 -0.0016 200 ASN D CA 9942 C C . ASN D 133 ? 0.4407 0.5140 0.4171 -0.0083 -0.0184 -0.0017 200 ASN D C 9943 O O . ASN D 133 ? 0.4103 0.4843 0.3865 -0.0085 -0.0186 -0.0011 200 ASN D O 9944 C CB . ASN D 133 ? 0.4879 0.5648 0.4631 -0.0105 -0.0193 -0.0007 200 ASN D CB 9945 C CG . ASN D 133 ? 0.5126 0.5899 0.4860 -0.0113 -0.0187 -0.0019 200 ASN D CG 9946 O OD1 . ASN D 133 ? 0.5239 0.5999 0.4965 -0.0111 -0.0180 -0.0034 200 ASN D OD1 9947 N ND2 . ASN D 133 ? 0.5474 0.6266 0.5201 -0.0123 -0.0190 -0.0012 200 ASN D ND2 9948 N N . ALA D 134 ? 0.4311 0.5026 0.4081 -0.0074 -0.0180 -0.0023 201 ALA D N 9949 C CA . ALA D 134 ? 0.4289 0.4992 0.4066 -0.0064 -0.0177 -0.0022 201 ALA D CA 9950 C C . ALA D 134 ? 0.4150 0.4853 0.3917 -0.0064 -0.0171 -0.0033 201 ALA D C 9951 O O . ALA D 134 ? 0.5191 0.5897 0.4948 -0.0067 -0.0168 -0.0043 201 ALA D O 9952 C CB . ALA D 134 ? 0.4568 0.5253 0.4354 -0.0055 -0.0175 -0.0025 201 ALA D CB 9953 N N . THR D 135 ? 0.4307 0.5008 0.4080 -0.0059 -0.0170 -0.0030 202 THR D N 9954 C CA . THR D 135 ? 0.4530 0.5236 0.4299 -0.0056 -0.0164 -0.0040 202 THR D CA 9955 C C . THR D 135 ? 0.4607 0.5296 0.4383 -0.0045 -0.0161 -0.0043 202 THR D C 9956 O O . THR D 135 ? 0.4554 0.5235 0.4338 -0.0043 -0.0163 -0.0034 202 THR D O 9957 C CB . THR D 135 ? 0.4678 0.5404 0.4444 -0.0063 -0.0164 -0.0033 202 THR D CB 9958 O OG1 . THR D 135 ? 0.4498 0.5239 0.4256 -0.0075 -0.0168 -0.0028 202 THR D OG1 9959 C CG2 . THR D 135 ? 0.4436 0.5174 0.4199 -0.0059 -0.0158 -0.0044 202 THR D CG2 9960 N N . ALA D 136 ? 0.4257 0.4940 0.4029 -0.0037 -0.0156 -0.0056 203 ALA D N 9961 C CA . ALA D 136 ? 0.4804 0.5475 0.4582 -0.0027 -0.0154 -0.0059 203 ALA D CA 9962 C C . ALA D 136 ? 0.5076 0.5768 0.4854 -0.0023 -0.0150 -0.0063 203 ALA D C 9963 O O . ALA D 136 ? 0.4433 0.5136 0.4204 -0.0019 -0.0146 -0.0074 203 ALA D O 9964 C CB . ALA D 136 ? 0.4471 0.5119 0.4244 -0.0019 -0.0153 -0.0069 203 ALA D CB 9965 N N . SER D 137 ? 0.4472 0.5170 0.4258 -0.0024 -0.0151 -0.0055 204 SER D N 9966 C CA . SER D 137 ? 0.4370 0.5095 0.4158 -0.0022 -0.0147 -0.0058 204 SER D CA 9967 C C . SER D 137 ? 0.4440 0.5156 0.4234 -0.0009 -0.0146 -0.0063 204 SER D C 9968 O O . SER D 137 ? 0.4348 0.5039 0.4145 -0.0007 -0.0148 -0.0058 204 SER D O 9969 C CB . SER D 137 ? 0.4328 0.5065 0.4116 -0.0035 -0.0150 -0.0045 204 SER D CB 9970 O OG . SER D 137 ? 0.4447 0.5194 0.4227 -0.0048 -0.0153 -0.0039 204 SER D OG 9971 N N . PHE D 138 ? 0.4257 0.4994 0.4051 0.0000 -0.0142 -0.0072 205 PHE D N 9972 C CA . PHE D 138 ? 0.4356 0.5092 0.4156 0.0013 -0.0141 -0.0076 205 PHE D CA 9973 C C . PHE D 138 ? 0.4226 0.4999 0.4032 0.0010 -0.0139 -0.0072 205 PHE D C 9974 O O . PHE D 138 ? 0.4625 0.5433 0.4431 0.0009 -0.0136 -0.0077 205 PHE D O 9975 C CB . PHE D 138 ? 0.4322 0.5051 0.4116 0.0031 -0.0138 -0.0092 205 PHE D CB 9976 C CG . PHE D 138 ? 0.4769 0.5462 0.4553 0.0030 -0.0140 -0.0095 205 PHE D CG 9977 C CD1 . PHE D 138 ? 0.5244 0.5937 0.5020 0.0020 -0.0140 -0.0097 205 PHE D CD1 9978 C CD2 . PHE D 138 ? 0.5284 0.5942 0.5065 0.0037 -0.0144 -0.0096 205 PHE D CD2 9979 C CE1 . PHE D 138 ? 0.5404 0.6066 0.5169 0.0017 -0.0142 -0.0099 205 PHE D CE1 9980 C CE2 . PHE D 138 ? 0.5638 0.6263 0.5408 0.0033 -0.0146 -0.0098 205 PHE D CE2 9981 C CZ . PHE D 138 ? 0.5068 0.5697 0.4830 0.0023 -0.0145 -0.0100 205 PHE D CZ 9982 N N . ILE D 139 ? 0.3928 0.4695 0.3740 0.0007 -0.0142 -0.0064 206 ILE D N 9983 C CA . ILE D 139 ? 0.4329 0.5129 0.4145 0.0000 -0.0142 -0.0058 206 ILE D CA 9984 C C . ILE D 139 ? 0.4134 0.4942 0.3959 0.0012 -0.0142 -0.0060 206 ILE D C 9985 O O . ILE D 139 ? 0.4126 0.4904 0.3952 0.0017 -0.0145 -0.0058 206 ILE D O 9986 C CB . ILE D 139 ? 0.5450 0.6235 0.5262 -0.0019 -0.0145 -0.0043 206 ILE D CB 9987 C CG1 . ILE D 139 ? 0.5745 0.6526 0.5548 -0.0030 -0.0146 -0.0041 206 ILE D CG1 9988 C CG2 . ILE D 139 ? 0.5036 0.5850 0.4848 -0.0031 -0.0145 -0.0036 206 ILE D CG2 9989 C CD1 . ILE D 139 ? 0.5914 0.6677 0.5711 -0.0046 -0.0150 -0.0028 206 ILE D CD1 9990 N N . TYR D 140 ? 0.4480 0.5331 0.4311 0.0020 -0.0139 -0.0067 207 TYR D N 9991 C CA . TYR D 140 ? 0.4514 0.5380 0.4354 0.0037 -0.0139 -0.0070 207 TYR D CA 9992 C C . TYR D 140 ? 0.4614 0.5528 0.4459 0.0027 -0.0138 -0.0064 207 TYR D C 9993 O O . TYR D 140 ? 0.4359 0.5313 0.4204 0.0018 -0.0135 -0.0066 207 TYR D O 9994 C CB . TYR D 140 ? 0.4281 0.5153 0.4123 0.0062 -0.0136 -0.0085 207 TYR D CB 9995 C CG . TYR D 140 ? 0.4349 0.5231 0.4200 0.0083 -0.0139 -0.0088 207 TYR D CG 9996 C CD1 . TYR D 140 ? 0.4486 0.5324 0.4334 0.0092 -0.0145 -0.0085 207 TYR D CD1 9997 C CD2 . TYR D 140 ? 0.3926 0.4864 0.3788 0.0095 -0.0136 -0.0094 207 TYR D CD2 9998 C CE1 . TYR D 140 ? 0.4954 0.5799 0.4810 0.0111 -0.0148 -0.0086 207 TYR D CE1 9999 C CE2 . TYR D 140 ? 0.4736 0.5686 0.4607 0.0116 -0.0139 -0.0095 207 TYR D CE2 10000 C CZ . TYR D 140 ? 0.5246 0.6148 0.5114 0.0124 -0.0146 -0.0091 207 TYR D CZ 10001 O OH . TYR D 140 ? 0.5960 0.6869 0.5836 0.0145 -0.0151 -0.0091 207 TYR D OH 10002 N N . ASP D 141 ? 0.4822 0.5734 0.4672 0.0024 -0.0142 -0.0056 208 ASP D N 10003 C CA . ASP D 141 ? 0.4518 0.5475 0.4371 0.0010 -0.0142 -0.0049 208 ASP D CA 10004 C C . ASP D 141 ? 0.4932 0.5902 0.4775 -0.0018 -0.0141 -0.0040 208 ASP D C 10005 O O . ASP D 141 ? 0.5201 0.6223 0.5045 -0.0028 -0.0139 -0.0039 208 ASP D O 10006 C CB . ASP D 141 ? 0.5477 0.6490 0.5343 0.0029 -0.0139 -0.0058 208 ASP D CB 10007 C CG . ASP D 141 ? 0.6726 0.7786 0.6601 0.0022 -0.0141 -0.0050 208 ASP D CG 10008 O OD1 . ASP D 141 ? 0.6634 0.7676 0.6503 0.0004 -0.0145 -0.0038 208 ASP D OD1 10009 O OD2 . ASP D 141 ? 0.8029 0.9144 0.7915 0.0034 -0.0139 -0.0056 208 ASP D OD2 10010 N N . GLY D 142 ? 0.5264 0.6188 0.5095 -0.0030 -0.0143 -0.0034 209 GLY D N 10011 C CA . GLY D 142 ? 0.5096 0.6020 0.4913 -0.0056 -0.0144 -0.0025 209 GLY D CA 10012 C C . GLY D 142 ? 0.5820 0.6766 0.5633 -0.0059 -0.0141 -0.0030 209 GLY D C 10013 O O . GLY D 142 ? 0.5891 0.6839 0.5691 -0.0081 -0.0143 -0.0022 209 GLY D O 10014 N N . MET D 143 ? 0.6049 0.7009 0.5871 -0.0039 -0.0137 -0.0043 210 MET D N 10015 C CA . MET D 143 ? 0.6306 0.7287 0.6123 -0.0042 -0.0134 -0.0049 210 MET D CA 10016 C C . MET D 143 ? 0.5358 0.6301 0.5173 -0.0029 -0.0133 -0.0057 210 MET D C 10017 O O . MET D 143 ? 0.5323 0.6241 0.5144 -0.0008 -0.0133 -0.0064 210 MET D O 10018 C CB . MET D 143 ? 0.7398 0.8439 0.7224 -0.0030 -0.0128 -0.0061 210 MET D CB 10019 C CG . MET D 143 ? 0.8567 0.9661 0.8397 -0.0043 -0.0127 -0.0056 210 MET D CG 10020 S SD . MET D 143 ? 1.0688 1.1855 1.0534 -0.0020 -0.0120 -0.0073 210 MET D SD 10021 C CE . MET D 143 ? 1.2552 1.3769 1.2404 -0.0035 -0.0122 -0.0062 210 MET D CE 10022 N N . LEU D 144 ? 0.5271 0.6214 0.5076 -0.0042 -0.0133 -0.0055 211 LEU D N 10023 C CA . LEU D 144 ? 0.5166 0.6081 0.4967 -0.0032 -0.0132 -0.0063 211 LEU D CA 10024 C C . LEU D 144 ? 0.5313 0.6251 0.5119 -0.0012 -0.0126 -0.0080 211 LEU D C 10025 O O . LEU D 144 ? 0.5217 0.6201 0.5022 -0.0015 -0.0121 -0.0086 211 LEU D O 10026 C CB . LEU D 144 ? 0.5727 0.6640 0.5516 -0.0052 -0.0135 -0.0056 211 LEU D CB 10027 C CG . LEU D 144 ? 0.6197 0.7074 0.5984 -0.0043 -0.0135 -0.0061 211 LEU D CG 10028 C CD1 . LEU D 144 ? 0.6190 0.7029 0.5971 -0.0053 -0.0142 -0.0048 211 LEU D CD1 10029 C CD2 . LEU D 144 ? 0.5798 0.6695 0.5577 -0.0042 -0.0131 -0.0072 211 LEU D CD2 10030 N N . ALA D 145 ? 0.4640 0.5544 0.4448 0.0007 -0.0126 -0.0089 212 ALA D N 10031 C CA . ALA D 145 ? 0.4470 0.5385 0.4279 0.0029 -0.0121 -0.0107 212 ALA D CA 10032 C C . ALA D 145 ? 0.4692 0.5581 0.4489 0.0034 -0.0119 -0.0117 212 ALA D C 10033 O O . ALA D 145 ? 0.5243 0.6147 0.5037 0.0048 -0.0114 -0.0133 212 ALA D O 10034 C CB . ALA D 145 ? 0.4956 0.5854 0.4774 0.0050 -0.0123 -0.0110 212 ALA D CB 10035 N N . ASP D 146 ? 0.4813 0.5663 0.4604 0.0024 -0.0124 -0.0110 213 ASP D N 10036 C CA . ASP D 146 ? 0.5076 0.5901 0.4854 0.0024 -0.0123 -0.0118 213 ASP D CA 10037 C C . ASP D 146 ? 0.4650 0.5446 0.4424 0.0007 -0.0129 -0.0105 213 ASP D C 10038 O O . ASP D 146 ? 0.4395 0.5184 0.4175 0.0000 -0.0133 -0.0091 213 ASP D O 10039 C CB . ASP D 146 ? 0.5551 0.6342 0.5324 0.0046 -0.0123 -0.0130 213 ASP D CB 10040 C CG . ASP D 146 ? 0.6108 0.6890 0.5865 0.0053 -0.0118 -0.0148 213 ASP D CG 10041 O OD1 . ASP D 146 ? 0.6209 0.7010 0.5959 0.0037 -0.0116 -0.0149 213 ASP D OD1 10042 O OD2 . ASP D 146 ? 0.5287 0.6043 0.5037 0.0073 -0.0118 -0.0160 213 ASP D OD2 10043 N N . SER D 147 ? 0.4619 0.5399 0.4381 0.0002 -0.0129 -0.0110 214 SER D N 10044 C CA . SER D 147 ? 0.4772 0.5529 0.4531 -0.0011 -0.0134 -0.0098 214 SER D CA 10045 C C . SER D 147 ? 0.5261 0.5996 0.5006 -0.0010 -0.0134 -0.0108 214 SER D C 10046 O O . SER D 147 ? 0.5311 0.6054 0.5046 -0.0005 -0.0129 -0.0122 214 SER D O 10047 C CB . SER D 147 ? 0.4589 0.5371 0.4348 -0.0030 -0.0137 -0.0086 214 SER D CB 10048 O OG . SER D 147 ? 0.4593 0.5401 0.4342 -0.0037 -0.0133 -0.0093 214 SER D OG 10049 N N . ILE D 148 ? 0.4947 0.5656 0.4691 -0.0017 -0.0139 -0.0100 215 ILE D N 10050 C CA . ILE D 148 ? 0.4834 0.5526 0.4564 -0.0023 -0.0140 -0.0107 215 ILE D CA 10051 C C . ILE D 148 ? 0.5355 0.6047 0.5088 -0.0038 -0.0146 -0.0093 215 ILE D C 10052 O O . ILE D 148 ? 0.5483 0.6172 0.5228 -0.0039 -0.0150 -0.0080 215 ILE D O 10053 C CB . ILE D 148 ? 0.5818 0.6473 0.5540 -0.0011 -0.0140 -0.0116 215 ILE D CB 10054 C CG1 . ILE D 148 ? 0.5745 0.6381 0.5445 -0.0018 -0.0140 -0.0126 215 ILE D CG1 10055 C CG2 . ILE D 148 ? 0.6046 0.6680 0.5777 -0.0012 -0.0145 -0.0105 215 ILE D CG2 10056 C CD1 . ILE D 148 ? 0.5814 0.6409 0.5499 -0.0006 -0.0140 -0.0138 215 ILE D CD1 10057 N N . GLY D 149 ? 0.5655 0.6352 0.5376 -0.0049 -0.0146 -0.0095 216 GLY D N 10058 C CA . GLY D 149 ? 0.5043 0.5743 0.4765 -0.0063 -0.0153 -0.0083 216 GLY D CA 10059 C C . GLY D 149 ? 0.5447 0.6121 0.5163 -0.0064 -0.0155 -0.0085 216 GLY D C 10060 O O . GLY D 149 ? 0.5674 0.6324 0.5378 -0.0059 -0.0152 -0.0098 216 GLY D O 10061 N N . SER D 150 ? 0.5267 0.5946 0.4991 -0.0072 -0.0161 -0.0073 217 SER D N 10062 C CA . SER D 150 ? 0.5412 0.6076 0.5130 -0.0078 -0.0163 -0.0075 217 SER D CA 10063 C C . SER D 150 ? 0.5461 0.6116 0.5154 -0.0089 -0.0162 -0.0087 217 SER D C 10064 O O . SER D 150 ? 0.5273 0.5948 0.4960 -0.0098 -0.0162 -0.0086 217 SER D O 10065 C CB . SER D 150 ? 0.5424 0.6107 0.5155 -0.0085 -0.0170 -0.0060 217 SER D CB 10066 O OG . SER D 150 ? 0.5727 0.6405 0.5455 -0.0092 -0.0172 -0.0059 217 SER D OG 10067 N N . TRP D 151 ? 0.5544 0.6169 0.5222 -0.0088 -0.0160 -0.0097 218 TRP D N 10068 C CA . TRP D 151 ? 0.5493 0.6101 0.5143 -0.0098 -0.0159 -0.0110 218 TRP D CA 10069 C C . TRP D 151 ? 0.5762 0.6375 0.5402 -0.0119 -0.0164 -0.0105 218 TRP D C 10070 O O . TRP D 151 ? 0.6467 0.7075 0.6084 -0.0132 -0.0163 -0.0113 218 TRP D O 10071 C CB . TRP D 151 ? 0.5213 0.5778 0.4845 -0.0088 -0.0156 -0.0124 218 TRP D CB 10072 C CG . TRP D 151 ? 0.5580 0.6123 0.5218 -0.0083 -0.0159 -0.0120 218 TRP D CG 10073 C CD1 . TRP D 151 ? 0.5663 0.6191 0.5291 -0.0096 -0.0163 -0.0117 218 TRP D CD1 10074 C CD2 . TRP D 151 ? 0.5959 0.6497 0.5615 -0.0065 -0.0158 -0.0117 218 TRP D CD2 10075 N NE1 . TRP D 151 ? 0.5977 0.6488 0.5614 -0.0088 -0.0165 -0.0113 218 TRP D NE1 10076 C CE2 . TRP D 151 ? 0.5531 0.6049 0.5186 -0.0068 -0.0162 -0.0113 218 TRP D CE2 10077 C CE3 . TRP D 151 ? 0.5794 0.6346 0.5465 -0.0049 -0.0154 -0.0117 218 TRP D CE3 10078 C CZ2 . TRP D 151 ? 0.5404 0.5912 0.5072 -0.0056 -0.0162 -0.0109 218 TRP D CZ2 10079 C CZ3 . TRP D 151 ? 0.5906 0.6449 0.5591 -0.0036 -0.0155 -0.0113 218 TRP D CZ3 10080 C CH2 . TRP D 151 ? 0.5177 0.5697 0.4860 -0.0039 -0.0159 -0.0109 218 TRP D CH2 10081 N N . SER D 152 ? 0.6190 0.6814 0.5846 -0.0122 -0.0168 -0.0093 219 SER D N 10082 C CA . SER D 152 ? 0.5856 0.6495 0.5506 -0.0142 -0.0173 -0.0088 219 SER D CA 10083 C C . SER D 152 ? 0.6139 0.6820 0.5811 -0.0144 -0.0178 -0.0072 219 SER D C 10084 O O . SER D 152 ? 0.6497 0.7198 0.6167 -0.0159 -0.0183 -0.0066 219 SER D O 10085 C CB . SER D 152 ? 0.6590 0.7211 0.6238 -0.0145 -0.0175 -0.0087 219 SER D CB 10086 O OG . SER D 152 ? 0.7120 0.7697 0.6743 -0.0144 -0.0173 -0.0100 219 SER D OG 10087 N N . GLN D 153 ? 0.6111 0.6803 0.5805 -0.0129 -0.0178 -0.0064 220 GLN D N 10088 C CA . GLN D 153 ? 0.6422 0.7147 0.6137 -0.0128 -0.0183 -0.0048 220 GLN D CA 10089 C C . GLN D 153 ? 0.6044 0.6782 0.5774 -0.0128 -0.0187 -0.0041 220 GLN D C 10090 O O . GLN D 153 ? 0.5877 0.6646 0.5619 -0.0132 -0.0193 -0.0029 220 GLN D O 10091 C CB . GLN D 153 ? 0.6616 0.7366 0.6323 -0.0141 -0.0187 -0.0044 220 GLN D CB 10092 C CG . GLN D 153 ? 0.7514 0.8252 0.7206 -0.0140 -0.0181 -0.0055 220 GLN D CG 10093 C CD . GLN D 153 ? 0.8521 0.9282 0.8205 -0.0151 -0.0183 -0.0051 220 GLN D CD 10094 O OE1 . GLN D 153 ? 1.0231 1.1012 0.9907 -0.0167 -0.0188 -0.0047 220 GLN D OE1 10095 N NE2 . GLN D 153 ? 0.7405 0.8168 0.7091 -0.0144 -0.0180 -0.0052 220 GLN D NE2 10096 N N . ASN D 154 ? 0.5182 0.5897 0.4912 -0.0123 -0.0184 -0.0047 221 ASN D N 10097 C CA . ASN D 154 ? 0.6141 0.6867 0.5891 -0.0117 -0.0186 -0.0040 221 ASN D CA 10098 C C . ASN D 154 ? 0.5280 0.5993 0.5045 -0.0097 -0.0183 -0.0037 221 ASN D C 10099 O O . ASN D 154 ? 0.6159 0.6871 0.5926 -0.0092 -0.0183 -0.0035 221 ASN D O 10100 C CB . ASN D 154 ? 0.6767 0.7475 0.6503 -0.0126 -0.0184 -0.0048 221 ASN D CB 10101 C CG . ASN D 154 ? 0.8956 0.9677 0.8673 -0.0149 -0.0187 -0.0050 221 ASN D CG 10102 O OD1 . ASN D 154 ? 0.7446 0.8204 0.7174 -0.0156 -0.0191 -0.0042 221 ASN D OD1 10103 N ND2 . ASN D 154 ? 1.0422 1.1111 1.0109 -0.0161 -0.0185 -0.0062 221 ASN D ND2 10104 N N . ILE D 155 ? 0.4994 0.5699 0.4770 -0.0090 -0.0182 -0.0037 222 ILE D N 10105 C CA . ILE D 155 ? 0.5328 0.6021 0.5117 -0.0074 -0.0180 -0.0034 222 ILE D CA 10106 C C . ILE D 155 ? 0.4846 0.5509 0.4625 -0.0071 -0.0175 -0.0044 222 ILE D C 10107 O O . ILE D 155 ? 0.4737 0.5385 0.4510 -0.0073 -0.0173 -0.0049 222 ILE D O 10108 C CB . ILE D 155 ? 0.5060 0.5766 0.4868 -0.0066 -0.0181 -0.0028 222 ILE D CB 10109 C CG1 . ILE D 155 ? 0.5288 0.6027 0.5107 -0.0066 -0.0187 -0.0018 222 ILE D CG1 10110 C CG2 . ILE D 155 ? 0.4644 0.5335 0.4463 -0.0051 -0.0179 -0.0025 222 ILE D CG2 10111 C CD1 . ILE D 155 ? 0.5664 0.6422 0.5501 -0.0059 -0.0188 -0.0015 222 ILE D CD1 10112 N N . LEU D 156 ? 0.4315 0.4970 0.4090 -0.0065 -0.0173 -0.0045 223 LEU D N 10113 C CA . LEU D 156 ? 0.4969 0.5600 0.4737 -0.0059 -0.0169 -0.0054 223 LEU D CA 10114 C C . LEU D 156 ? 0.4946 0.5569 0.4727 -0.0049 -0.0167 -0.0050 223 LEU D C 10115 O O . LEU D 156 ? 0.5462 0.6094 0.5256 -0.0043 -0.0168 -0.0042 223 LEU D O 10116 C CB . LEU D 156 ? 0.5168 0.5802 0.4929 -0.0056 -0.0167 -0.0057 223 LEU D CB 10117 C CG . LEU D 156 ? 0.5469 0.6084 0.5223 -0.0046 -0.0162 -0.0067 223 LEU D CG 10118 C CD1 . LEU D 156 ? 0.5757 0.6347 0.5493 -0.0049 -0.0162 -0.0078 223 LEU D CD1 10119 C CD2 . LEU D 156 ? 0.5633 0.6262 0.5385 -0.0044 -0.0160 -0.0069 223 LEU D CD2 10120 N N . ARG D 157 ? 0.4816 0.5418 0.4592 -0.0048 -0.0166 -0.0056 224 ARG D N 10121 C CA . ARG D 157 ? 0.5554 0.6148 0.5340 -0.0042 -0.0165 -0.0053 224 ARG D CA 10122 C C . ARG D 157 ? 0.5297 0.5866 0.5072 -0.0039 -0.0163 -0.0060 224 ARG D C 10123 O O . ARG D 157 ? 0.5384 0.5937 0.5143 -0.0042 -0.0164 -0.0067 224 ARG D O 10124 C CB . ARG D 157 ? 0.5790 0.6391 0.5582 -0.0047 -0.0166 -0.0051 224 ARG D CB 10125 C CG . ARG D 157 ? 0.8091 0.8714 0.7900 -0.0043 -0.0167 -0.0043 224 ARG D CG 10126 C CD . ARG D 157 ? 0.8964 0.9603 0.8780 -0.0048 -0.0168 -0.0042 224 ARG D CD 10127 N NE . ARG D 157 ? 1.2186 1.2836 1.1991 -0.0061 -0.0170 -0.0044 224 ARG D NE 10128 C CZ . ARG D 157 ? 1.2580 1.3253 1.2389 -0.0068 -0.0172 -0.0043 224 ARG D CZ 10129 N NH1 . ARG D 157 ? 1.1721 1.2404 1.1518 -0.0082 -0.0174 -0.0044 224 ARG D NH1 10130 N NH2 . ARG D 157 ? 1.2139 1.2828 1.1964 -0.0062 -0.0170 -0.0040 224 ARG D NH2 10131 N N . THR D 158 ? 0.4887 0.5449 0.4670 -0.0032 -0.0162 -0.0058 225 THR D N 10132 C CA . THR D 158 ? 0.4796 0.5337 0.4571 -0.0028 -0.0162 -0.0062 225 THR D CA 10133 C C . THR D 158 ? 0.4833 0.5366 0.4613 -0.0030 -0.0162 -0.0060 225 THR D C 10134 O O . THR D 158 ? 0.4545 0.5085 0.4328 -0.0037 -0.0162 -0.0057 225 THR D O 10135 C CB . THR D 158 ? 0.5298 0.5843 0.5075 -0.0017 -0.0161 -0.0064 225 THR D CB 10136 O OG1 . THR D 158 ? 0.6063 0.6588 0.5830 -0.0010 -0.0162 -0.0069 225 THR D OG1 10137 C CG2 . THR D 158 ? 0.5454 0.6014 0.5244 -0.0014 -0.0159 -0.0057 225 THR D CG2 10138 N N . GLN D 159 ? 0.4696 0.5215 0.4473 -0.0024 -0.0162 -0.0060 226 GLN D N 10139 C CA . GLN D 159 ? 0.4660 0.5166 0.4434 -0.0029 -0.0164 -0.0059 226 GLN D CA 10140 C C . GLN D 159 ? 0.4473 0.4991 0.4260 -0.0031 -0.0161 -0.0054 226 GLN D C 10141 O O . GLN D 159 ? 0.4319 0.4833 0.4105 -0.0039 -0.0161 -0.0055 226 GLN D O 10142 C CB . GLN D 159 ? 0.5009 0.5496 0.4775 -0.0022 -0.0166 -0.0061 226 GLN D CB 10143 C CG . GLN D 159 ? 0.4763 0.5228 0.4510 -0.0018 -0.0170 -0.0067 226 GLN D CG 10144 C CD . GLN D 159 ? 0.5488 0.5937 0.5229 -0.0007 -0.0173 -0.0068 226 GLN D CD 10145 O OE1 . GLN D 159 ? 0.6153 0.6586 0.5882 0.0001 -0.0175 -0.0075 226 GLN D OE1 10146 N NE2 . GLN D 159 ? 0.5590 0.6041 0.5339 -0.0006 -0.0174 -0.0063 226 GLN D NE2 10147 N N . GLU D 160 ? 0.4109 0.4639 0.3907 -0.0025 -0.0159 -0.0051 227 GLU D N 10148 C CA . GLU D 160 ? 0.4518 0.5052 0.4325 -0.0026 -0.0157 -0.0047 227 GLU D CA 10149 C C . GLU D 160 ? 0.4640 0.5161 0.4443 -0.0028 -0.0157 -0.0047 227 GLU D C 10150 O O . GLU D 160 ? 0.4750 0.5270 0.4555 -0.0033 -0.0155 -0.0046 227 GLU D O 10151 C CB . GLU D 160 ? 0.4826 0.5369 0.4640 -0.0030 -0.0155 -0.0047 227 GLU D CB 10152 C CG . GLU D 160 ? 0.5261 0.5818 0.5078 -0.0030 -0.0156 -0.0047 227 GLU D CG 10153 C CD . GLU D 160 ? 0.5483 0.6048 0.5303 -0.0024 -0.0157 -0.0043 227 GLU D CD 10154 O OE1 . GLU D 160 ? 0.5251 0.5813 0.5073 -0.0021 -0.0156 -0.0040 227 GLU D OE1 10155 O OE2 . GLU D 160 ? 0.7465 0.8042 0.7285 -0.0026 -0.0159 -0.0043 227 GLU D OE2 10156 N N . SER D 161 ? 0.4592 0.5103 0.4387 -0.0025 -0.0160 -0.0048 228 SER D N 10157 C CA . SER D 161 ? 0.4499 0.5001 0.4290 -0.0025 -0.0162 -0.0046 228 SER D CA 10158 C C . SER D 161 ? 0.4244 0.4746 0.4033 -0.0014 -0.0164 -0.0047 228 SER D C 10159 O O . SER D 161 ? 0.4367 0.4877 0.4157 -0.0008 -0.0164 -0.0050 228 SER D O 10160 C CB . SER D 161 ? 0.4587 0.5074 0.4369 -0.0034 -0.0164 -0.0047 228 SER D CB 10161 O OG . SER D 161 ? 0.5145 0.5618 0.4914 -0.0034 -0.0167 -0.0051 228 SER D OG 10162 N N . GLU D 162 ? 0.4318 0.4815 0.4104 -0.0012 -0.0167 -0.0045 229 GLU D N 10163 C CA . GLU D 162 ? 0.4040 0.4543 0.3827 0.0000 -0.0170 -0.0045 229 GLU D CA 10164 C C . GLU D 162 ? 0.4285 0.4772 0.4061 0.0009 -0.0173 -0.0051 229 GLU D C 10165 O O . GLU D 162 ? 0.3650 0.4111 0.3413 0.0004 -0.0177 -0.0053 229 GLU D O 10166 C CB . GLU D 162 ? 0.4115 0.4619 0.3902 0.0001 -0.0174 -0.0040 229 GLU D CB 10167 C CG . GLU D 162 ? 0.4493 0.4972 0.4268 0.0001 -0.0180 -0.0039 229 GLU D CG 10168 C CD . GLU D 162 ? 0.5678 0.6164 0.5454 0.0005 -0.0185 -0.0033 229 GLU D CD 10169 O OE1 . GLU D 162 ? 0.5997 0.6462 0.5762 0.0005 -0.0192 -0.0030 229 GLU D OE1 10170 O OE2 . GLU D 162 ? 0.5183 0.5697 0.4972 0.0007 -0.0182 -0.0030 229 GLU D OE2 10171 N N . CYS D 163 ? 0.3715 0.4217 0.3495 0.0021 -0.0172 -0.0055 230 CYS D N 10172 C CA . CYS D 163 ? 0.4298 0.4784 0.4066 0.0034 -0.0175 -0.0062 230 CYS D CA 10173 C C . CYS D 163 ? 0.4560 0.5038 0.4326 0.0047 -0.0181 -0.0060 230 CYS D C 10174 O O . CYS D 163 ? 0.4484 0.4972 0.4257 0.0042 -0.0182 -0.0053 230 CYS D O 10175 C CB . CYS D 163 ? 0.4920 0.5427 0.4693 0.0042 -0.0171 -0.0069 230 CYS D CB 10176 S SG . CYS D 163 ? 0.5889 0.6443 0.5681 0.0042 -0.0165 -0.0065 230 CYS D SG 10177 N N . VAL D 164 ? 0.4377 0.4837 0.4131 0.0062 -0.0185 -0.0067 231 VAL D N 10178 C CA . VAL D 164 ? 0.4481 0.4927 0.4230 0.0076 -0.0192 -0.0065 231 VAL D CA 10179 C C . VAL D 164 ? 0.4865 0.5320 0.4615 0.0101 -0.0192 -0.0074 231 VAL D C 10180 O O . VAL D 164 ? 0.4904 0.5346 0.4643 0.0107 -0.0190 -0.0084 231 VAL D O 10181 C CB . VAL D 164 ? 0.4898 0.5295 0.4624 0.0071 -0.0200 -0.0064 231 VAL D CB 10182 C CG1 . VAL D 164 ? 0.5023 0.5404 0.4742 0.0085 -0.0209 -0.0059 231 VAL D CG1 10183 C CG2 . VAL D 164 ? 0.5281 0.5673 0.5005 0.0046 -0.0199 -0.0057 231 VAL D CG2 10184 N N . CYS D 165 ? 0.4861 0.5343 0.4624 0.0116 -0.0194 -0.0071 232 CYS D N 10185 C CA . CYS D 165 ? 0.5696 0.6196 0.5463 0.0142 -0.0194 -0.0079 232 CYS D CA 10186 C C . CYS D 165 ? 0.5765 0.6246 0.5525 0.0162 -0.0204 -0.0077 232 CYS D C 10187 O O . CYS D 165 ? 0.5558 0.6045 0.5325 0.0157 -0.0209 -0.0066 232 CYS D O 10188 C CB . CYS D 165 ? 0.6103 0.6664 0.5894 0.0143 -0.0188 -0.0077 232 CYS D CB 10189 S SG . CYS D 165 ? 0.6211 0.6799 0.6011 0.0117 -0.0178 -0.0075 232 CYS D SG 10190 N N . ILE D 166 ? 0.5491 0.5948 0.5239 0.0186 -0.0206 -0.0088 233 ILE D N 10191 C CA . ILE D 166 ? 0.5335 0.5775 0.5077 0.0212 -0.0217 -0.0087 233 ILE D CA 10192 C C . ILE D 166 ? 0.5877 0.6346 0.5628 0.0243 -0.0213 -0.0100 233 ILE D C 10193 O O . ILE D 166 ? 0.4965 0.5422 0.4706 0.0251 -0.0208 -0.0114 233 ILE D O 10194 C CB . ILE D 166 ? 0.5852 0.6218 0.5561 0.0212 -0.0226 -0.0088 233 ILE D CB 10195 C CG1 . ILE D 166 ? 0.6079 0.6423 0.5780 0.0181 -0.0230 -0.0075 233 ILE D CG1 10196 C CG2 . ILE D 166 ? 0.5703 0.6048 0.5404 0.0244 -0.0238 -0.0088 233 ILE D CG2 10197 C CD1 . ILE D 166 ? 0.6229 0.6503 0.5895 0.0172 -0.0240 -0.0074 233 ILE D CD1 10198 N N . ASN D 167 ? 0.5513 0.6023 0.5283 0.0261 -0.0217 -0.0095 234 ASN D N 10199 C CA . ASN D 167 ? 0.6235 0.6781 0.6017 0.0293 -0.0214 -0.0106 234 ASN D CA 10200 C C . ASN D 167 ? 0.5684 0.6270 0.5476 0.0288 -0.0200 -0.0119 234 ASN D C 10201 O O . ASN D 167 ? 0.5304 0.5892 0.5092 0.0311 -0.0196 -0.0134 234 ASN D O 10202 C CB . ASN D 167 ? 0.7061 0.7553 0.6820 0.0326 -0.0222 -0.0116 234 ASN D CB 10203 C CG . ASN D 167 ? 0.7955 0.8490 0.7733 0.0365 -0.0225 -0.0120 234 ASN D CG 10204 O OD1 . ASN D 167 ? 0.6466 0.7072 0.6272 0.0364 -0.0222 -0.0115 234 ASN D OD1 10205 N ND2 . ASN D 167 ? 0.9520 1.0012 0.9279 0.0399 -0.0233 -0.0130 234 ASN D ND2 10206 N N . GLY D 168 ? 0.6092 0.6709 0.5895 0.0259 -0.0193 -0.0112 235 GLY D N 10207 C CA . GLY D 168 ? 0.5265 0.5927 0.5079 0.0251 -0.0181 -0.0120 235 GLY D CA 10208 C C . GLY D 168 ? 0.5595 0.6219 0.5390 0.0236 -0.0176 -0.0128 235 GLY D C 10209 O O . GLY D 168 ? 0.5937 0.6594 0.5739 0.0226 -0.0167 -0.0133 235 GLY D O 10210 N N . THR D 169 ? 0.5224 0.5783 0.4996 0.0233 -0.0182 -0.0128 236 THR D N 10211 C CA . THR D 169 ? 0.5235 0.5759 0.4988 0.0215 -0.0178 -0.0133 236 THR D CA 10212 C C . THR D 169 ? 0.5211 0.5714 0.4961 0.0185 -0.0181 -0.0120 236 THR D C 10213 O O . THR D 169 ? 0.5186 0.5653 0.4926 0.0182 -0.0189 -0.0112 236 THR D O 10214 C CB . THR D 169 ? 0.5215 0.5677 0.4938 0.0231 -0.0183 -0.0145 236 THR D CB 10215 O OG1 . THR D 169 ? 0.5318 0.5799 0.5043 0.0261 -0.0180 -0.0161 236 THR D OG1 10216 C CG2 . THR D 169 ? 0.5550 0.5982 0.5254 0.0209 -0.0179 -0.0150 236 THR D CG2 10217 N N . CYS D 170 ? 0.5273 0.5798 0.5030 0.0163 -0.0174 -0.0118 237 CYS D N 10218 C CA . CYS D 170 ? 0.5508 0.6020 0.5264 0.0136 -0.0175 -0.0106 237 CYS D CA 10219 C C . CYS D 170 ? 0.5571 0.6047 0.5308 0.0122 -0.0174 -0.0111 237 CYS D C 10220 O O . CYS D 170 ? 0.5397 0.5877 0.5127 0.0125 -0.0169 -0.0122 237 CYS D O 10221 C CB . CYS D 170 ? 0.5822 0.6381 0.5598 0.0120 -0.0169 -0.0099 237 CYS D CB 10222 S SG . CYS D 170 ? 0.6494 0.7104 0.6293 0.0130 -0.0169 -0.0093 237 CYS D SG 10223 N N . THR D 171 ? 0.5440 0.5884 0.5166 0.0106 -0.0179 -0.0104 238 THR D N 10224 C CA . THR D 171 ? 0.5153 0.5568 0.4861 0.0091 -0.0179 -0.0107 238 THR D CA 10225 C C . THR D 171 ? 0.5340 0.5769 0.5059 0.0067 -0.0176 -0.0098 238 THR D C 10226 O O . THR D 171 ? 0.5224 0.5663 0.4954 0.0061 -0.0178 -0.0088 238 THR D O 10227 C CB . THR D 171 ? 0.5545 0.5904 0.5226 0.0093 -0.0187 -0.0110 238 THR D CB 10228 O OG1 . THR D 171 ? 0.5943 0.6277 0.5604 0.0077 -0.0186 -0.0115 238 THR D OG1 10229 C CG2 . THR D 171 ? 0.5592 0.5935 0.5272 0.0082 -0.0193 -0.0098 238 THR D CG2 10230 N N . VAL D 172 ? 0.5165 0.5596 0.4878 0.0054 -0.0173 -0.0101 239 VAL D N 10231 C CA . VAL D 172 ? 0.5643 0.6088 0.5366 0.0035 -0.0171 -0.0093 239 VAL D CA 10232 C C . VAL D 172 ? 0.5366 0.5793 0.5071 0.0021 -0.0171 -0.0098 239 VAL D C 10233 O O . VAL D 172 ? 0.4825 0.5247 0.4518 0.0025 -0.0169 -0.0107 239 VAL D O 10234 C CB . VAL D 172 ? 0.6480 0.6969 0.6224 0.0034 -0.0165 -0.0089 239 VAL D CB 10235 C CG1 . VAL D 172 ? 0.6478 0.6983 0.6220 0.0036 -0.0161 -0.0097 239 VAL D CG1 10236 C CG2 . VAL D 172 ? 0.6780 0.7280 0.6535 0.0018 -0.0164 -0.0080 239 VAL D CG2 10237 N N . VAL D 173 ? 0.4568 0.4991 0.4273 0.0004 -0.0173 -0.0091 240 VAL D N 10238 C CA . VAL D 173 ? 0.4632 0.5045 0.4322 -0.0011 -0.0174 -0.0093 240 VAL D CA 10239 C C . VAL D 173 ? 0.4728 0.5177 0.4435 -0.0019 -0.0169 -0.0089 240 VAL D C 10240 O O . VAL D 173 ? 0.4153 0.4624 0.3880 -0.0020 -0.0168 -0.0081 240 VAL D O 10241 C CB . VAL D 173 ? 0.5173 0.5563 0.4851 -0.0026 -0.0178 -0.0089 240 VAL D CB 10242 C CG1 . VAL D 173 ? 0.4961 0.5342 0.4621 -0.0044 -0.0180 -0.0092 240 VAL D CG1 10243 C CG2 . VAL D 173 ? 0.5370 0.5720 0.5030 -0.0018 -0.0184 -0.0091 240 VAL D CG2 10244 N N . MET D 174 ? 0.4640 0.5093 0.4338 -0.0027 -0.0169 -0.0093 241 MET D N 10245 C CA . MET D 174 ? 0.4739 0.5225 0.4451 -0.0034 -0.0166 -0.0088 241 MET D CA 10246 C C . MET D 174 ? 0.4977 0.5460 0.4674 -0.0052 -0.0168 -0.0090 241 MET D C 10247 O O . MET D 174 ? 0.5802 0.6259 0.5475 -0.0057 -0.0170 -0.0097 241 MET D O 10248 C CB . MET D 174 ? 0.5025 0.5531 0.4743 -0.0025 -0.0163 -0.0091 241 MET D CB 10249 C CG . MET D 174 ? 0.5132 0.5649 0.4864 -0.0011 -0.0160 -0.0090 241 MET D CG 10250 S SD . MET D 174 ? 0.6112 0.6664 0.5854 -0.0006 -0.0156 -0.0090 241 MET D SD 10251 C CE . MET D 174 ? 0.6703 0.7280 0.6463 -0.0017 -0.0157 -0.0076 241 MET D CE 10252 N N . THR D 175 ? 0.4890 0.5400 0.4601 -0.0061 -0.0168 -0.0082 242 THR D N 10253 C CA . THR D 175 ? 0.5146 0.5663 0.4846 -0.0078 -0.0170 -0.0082 242 THR D CA 10254 C C . THR D 175 ? 0.4321 0.4874 0.4036 -0.0079 -0.0169 -0.0077 242 THR D C 10255 O O . THR D 175 ? 0.4887 0.5462 0.4624 -0.0071 -0.0168 -0.0070 242 THR D O 10256 C CB . THR D 175 ? 0.5209 0.5729 0.4912 -0.0089 -0.0172 -0.0078 242 THR D CB 10257 O OG1 . THR D 175 ? 0.5182 0.5667 0.4868 -0.0090 -0.0174 -0.0082 242 THR D OG1 10258 C CG2 . THR D 175 ? 0.5480 0.6015 0.5172 -0.0109 -0.0175 -0.0077 242 THR D CG2 10259 N N . ASP D 176 ? 0.4499 0.5056 0.4199 -0.0090 -0.0170 -0.0081 243 ASP D N 10260 C CA . ASP D 176 ? 0.4507 0.5098 0.4218 -0.0094 -0.0171 -0.0074 243 ASP D CA 10261 C C . ASP D 176 ? 0.4617 0.5222 0.4323 -0.0112 -0.0175 -0.0071 243 ASP D C 10262 O O . ASP D 176 ? 0.4702 0.5293 0.4385 -0.0127 -0.0176 -0.0077 243 ASP D O 10263 C CB . ASP D 176 ? 0.5257 0.5847 0.4954 -0.0095 -0.0170 -0.0081 243 ASP D CB 10264 C CG . ASP D 176 ? 0.6378 0.7003 0.6087 -0.0097 -0.0171 -0.0073 243 ASP D CG 10265 O OD1 . ASP D 176 ? 0.6713 0.7363 0.6434 -0.0104 -0.0175 -0.0063 243 ASP D OD1 10266 O OD2 . ASP D 176 ? 0.6576 0.7205 0.6283 -0.0092 -0.0169 -0.0076 243 ASP D OD2 10267 N N . GLY D 177 ? 0.5253 0.5884 0.4982 -0.0109 -0.0176 -0.0062 244 GLY D N 10268 C CA . GLY D 177 ? 0.5884 0.6535 0.5613 -0.0123 -0.0178 -0.0059 244 GLY D CA 10269 C C . GLY D 177 ? 0.5564 0.6258 0.5321 -0.0118 -0.0180 -0.0049 244 GLY D C 10270 O O . GLY D 177 ? 0.5642 0.6345 0.5415 -0.0103 -0.0180 -0.0043 244 GLY D O 10271 N N . SER D 178 ? 0.7093 0.7813 0.6852 -0.0130 -0.0182 -0.0047 245 SER D N 10272 C CA . SER D 178 ? 0.8480 0.9246 0.8264 -0.0124 -0.0185 -0.0038 245 SER D CA 10273 C C . SER D 178 ? 0.7399 0.8187 0.7189 -0.0131 -0.0184 -0.0038 245 SER D C 10274 O O . SER D 178 ? 0.9594 1.0365 0.9364 -0.0148 -0.0183 -0.0045 245 SER D O 10275 C CB . SER D 178 ? 0.8885 0.9677 0.8663 -0.0134 -0.0190 -0.0033 245 SER D CB 10276 O OG . SER D 178 ? 1.0121 1.0922 0.9880 -0.0158 -0.0192 -0.0037 245 SER D OG 10277 N N . ALA D 179 ? 0.7716 0.8540 0.7532 -0.0118 -0.0185 -0.0032 246 ALA D N 10278 C CA . ALA D 179 ? 0.7896 0.8753 0.7725 -0.0121 -0.0184 -0.0032 246 ALA D CA 10279 C C . ALA D 179 ? 0.8360 0.9246 0.8175 -0.0148 -0.0187 -0.0033 246 ALA D C 10280 O O . ALA D 179 ? 0.8527 0.9428 0.8340 -0.0158 -0.0185 -0.0037 246 ALA D O 10281 C CB . ALA D 179 ? 0.8397 0.9290 0.8257 -0.0098 -0.0186 -0.0025 246 ALA D CB 10282 N N . SER D 180 ? 0.8373 0.9265 0.8174 -0.0161 -0.0191 -0.0031 247 SER D N 10283 C CA . SER D 180 ? 0.8554 0.9463 0.8333 -0.0191 -0.0194 -0.0033 247 SER D CA 10284 C C . SER D 180 ? 0.9110 0.9975 0.8856 -0.0212 -0.0192 -0.0042 247 SER D C 10285 O O . SER D 180 ? 0.9441 1.0309 0.9161 -0.0240 -0.0195 -0.0044 247 SER D O 10286 C CB . SER D 180 ? 0.9293 1.0216 0.9062 -0.0202 -0.0199 -0.0029 247 SER D CB 10287 O OG . SER D 180 ? 0.9334 1.0209 0.9083 -0.0201 -0.0198 -0.0033 247 SER D OG 10288 N N . GLY D 181 ? 0.8924 0.9748 0.8668 -0.0201 -0.0188 -0.0047 248 GLY D N 10289 C CA . GLY D 181 ? 0.8940 0.9712 0.8650 -0.0217 -0.0187 -0.0054 248 GLY D CA 10290 C C . GLY D 181 ? 0.6998 0.7722 0.6678 -0.0223 -0.0189 -0.0059 248 GLY D C 10291 O O . GLY D 181 ? 0.7916 0.8599 0.7564 -0.0239 -0.0190 -0.0065 248 GLY D O 10292 N N . ARG D 182 ? 0.7317 0.8045 0.7006 -0.0209 -0.0189 -0.0057 249 ARG D N 10293 C CA . ARG D 182 ? 0.6882 0.7566 0.6546 -0.0210 -0.0189 -0.0064 249 ARG D CA 10294 C C . ARG D 182 ? 0.6487 0.7131 0.6154 -0.0188 -0.0186 -0.0068 249 ARG D C 10295 O O . ARG D 182 ? 0.6427 0.7085 0.6123 -0.0168 -0.0183 -0.0063 249 ARG D O 10296 C CB . ARG D 182 ? 0.7074 0.7781 0.6747 -0.0204 -0.0190 -0.0061 249 ARG D CB 10297 C CG . ARG D 182 ? 0.8530 0.9245 0.8176 -0.0231 -0.0194 -0.0063 249 ARG D CG 10298 C CD . ARG D 182 ? 0.8730 0.9388 0.8338 -0.0239 -0.0193 -0.0075 249 ARG D CD 10299 N NE . ARG D 182 ? 0.9131 0.9775 0.8744 -0.0220 -0.0190 -0.0078 249 ARG D NE 10300 C CZ . ARG D 182 ? 1.1174 1.1770 1.0767 -0.0211 -0.0187 -0.0088 249 ARG D CZ 10301 N NH1 . ARG D 182 ? 1.1915 1.2464 1.1481 -0.0218 -0.0187 -0.0096 249 ARG D NH1 10302 N NH2 . ARG D 182 ? 1.0229 1.0824 0.9830 -0.0195 -0.0183 -0.0091 249 ARG D NH2 10303 N N . ALA D 183 ? 0.6558 0.7153 0.6197 -0.0191 -0.0186 -0.0077 250 ALA D N 10304 C CA . ALA D 183 ? 0.6674 0.7234 0.6316 -0.0171 -0.0183 -0.0080 250 ALA D CA 10305 C C . ALA D 183 ? 0.6416 0.6931 0.6028 -0.0169 -0.0183 -0.0090 250 ALA D C 10306 O O . ALA D 183 ? 0.7248 0.7727 0.6829 -0.0184 -0.0186 -0.0096 250 ALA D O 10307 C CB . ALA D 183 ? 0.6031 0.6576 0.5672 -0.0174 -0.0183 -0.0079 250 ALA D CB 10308 N N . ASP D 184 ? 0.6326 0.6840 0.5947 -0.0152 -0.0180 -0.0093 251 ASP D N 10309 C CA . ASP D 184 ? 0.5905 0.6377 0.5501 -0.0144 -0.0179 -0.0105 251 ASP D CA 10310 C C . ASP D 184 ? 0.5711 0.6168 0.5322 -0.0120 -0.0176 -0.0105 251 ASP D C 10311 O O . ASP D 184 ? 0.6141 0.6621 0.5777 -0.0104 -0.0173 -0.0102 251 ASP D O 10312 C CB . ASP D 184 ? 0.6708 0.7196 0.6301 -0.0144 -0.0176 -0.0109 251 ASP D CB 10313 C CG . ASP D 184 ? 0.6996 0.7442 0.6563 -0.0135 -0.0174 -0.0123 251 ASP D CG 10314 O OD1 . ASP D 184 ? 0.7773 0.8189 0.7337 -0.0118 -0.0173 -0.0128 251 ASP D OD1 10315 O OD2 . ASP D 184 ? 0.8488 0.8936 0.8039 -0.0143 -0.0173 -0.0130 251 ASP D OD2 10316 N N . THR D 185 ? 0.5453 0.5869 0.5046 -0.0119 -0.0179 -0.0109 252 THR D N 10317 C CA . THR D 185 ? 0.4791 0.5192 0.4395 -0.0099 -0.0178 -0.0108 252 THR D CA 10318 C C . THR D 185 ? 0.5048 0.5417 0.4637 -0.0082 -0.0177 -0.0119 252 THR D C 10319 O O . THR D 185 ? 0.5271 0.5602 0.4827 -0.0089 -0.0180 -0.0128 252 THR D O 10320 C CB . THR D 185 ? 0.4489 0.4869 0.4085 -0.0109 -0.0183 -0.0104 252 THR D CB 10321 O OG1 . THR D 185 ? 0.5350 0.5771 0.4968 -0.0120 -0.0182 -0.0095 252 THR D OG1 10322 C CG2 . THR D 185 ? 0.4600 0.4964 0.4206 -0.0089 -0.0183 -0.0103 252 THR D CG2 10323 N N . ARG D 186 ? 0.5182 0.5565 0.4792 -0.0060 -0.0174 -0.0119 253 ARG D N 10324 C CA . ARG D 186 ? 0.5209 0.5570 0.4809 -0.0041 -0.0172 -0.0129 253 ARG D CA 10325 C C . ARG D 186 ? 0.5103 0.5465 0.4721 -0.0021 -0.0173 -0.0125 253 ARG D C 10326 O O . ARG D 186 ? 0.5659 0.6050 0.5303 -0.0021 -0.0171 -0.0116 253 ARG D O 10327 C CB . ARG D 186 ? 0.5350 0.5741 0.4958 -0.0035 -0.0166 -0.0135 253 ARG D CB 10328 C CG . ARG D 186 ? 0.6382 0.6781 0.5975 -0.0055 -0.0166 -0.0137 253 ARG D CG 10329 C CD . ARG D 186 ? 0.7155 0.7516 0.6712 -0.0058 -0.0166 -0.0152 253 ARG D CD 10330 N NE . ARG D 186 ? 0.8956 0.9330 0.8500 -0.0081 -0.0166 -0.0152 253 ARG D NE 10331 C CZ . ARG D 186 ? 1.0138 1.0481 0.9646 -0.0093 -0.0167 -0.0163 253 ARG D CZ 10332 N NH1 . ARG D 186 ? 0.9642 0.9932 0.9121 -0.0083 -0.0168 -0.0176 253 ARG D NH1 10333 N NH2 . ARG D 186 ? 1.2086 1.2448 1.1586 -0.0116 -0.0168 -0.0161 253 ARG D NH2 10334 N N . ILE D 187 ? 0.4834 0.5163 0.4437 -0.0004 -0.0175 -0.0134 254 ILE D N 10335 C CA . ILE D 187 ? 0.4530 0.4858 0.4147 0.0014 -0.0176 -0.0131 254 ILE D CA 10336 C C . ILE D 187 ? 0.4736 0.5083 0.4362 0.0037 -0.0171 -0.0139 254 ILE D C 10337 O O . ILE D 187 ? 0.4684 0.5009 0.4290 0.0047 -0.0170 -0.0152 254 ILE D O 10338 C CB . ILE D 187 ? 0.5446 0.5721 0.5037 0.0018 -0.0184 -0.0132 254 ILE D CB 10339 C CG1 . ILE D 187 ? 0.5650 0.5913 0.5234 -0.0006 -0.0189 -0.0122 254 ILE D CG1 10340 C CG2 . ILE D 187 ? 0.5007 0.5286 0.4614 0.0040 -0.0186 -0.0128 254 ILE D CG2 10341 C CD1 . ILE D 187 ? 0.6595 0.6840 0.6153 -0.0029 -0.0190 -0.0126 254 ILE D CD1 10342 N N . LEU D 188 ? 0.4818 0.5209 0.4475 0.0044 -0.0167 -0.0133 255 LEU D N 10343 C CA . LEU D 188 ? 0.4992 0.5415 0.4662 0.0061 -0.0161 -0.0139 255 LEU D CA 10344 C C . LEU D 188 ? 0.5139 0.5559 0.4816 0.0083 -0.0164 -0.0139 255 LEU D C 10345 O O . LEU D 188 ? 0.4923 0.5337 0.4608 0.0081 -0.0168 -0.0129 255 LEU D O 10346 C CB . LEU D 188 ? 0.5147 0.5619 0.4842 0.0052 -0.0157 -0.0130 255 LEU D CB 10347 C CG . LEU D 188 ? 0.5723 0.6208 0.5412 0.0035 -0.0154 -0.0132 255 LEU D CG 10348 C CD1 . LEU D 188 ? 0.6196 0.6662 0.5877 0.0015 -0.0158 -0.0125 255 LEU D CD1 10349 C CD2 . LEU D 188 ? 0.5946 0.6478 0.5658 0.0031 -0.0150 -0.0124 255 LEU D CD2 10350 N N . PHE D 189 ? 0.4950 0.5378 0.4626 0.0104 -0.0161 -0.0151 256 PHE D N 10351 C CA . PHE D 189 ? 0.5009 0.5444 0.4693 0.0129 -0.0163 -0.0153 256 PHE D CA 10352 C C . PHE D 189 ? 0.4976 0.5471 0.4684 0.0137 -0.0155 -0.0155 256 PHE D C 10353 O O . PHE D 189 ? 0.4938 0.5449 0.4641 0.0138 -0.0149 -0.0166 256 PHE D O 10354 C CB . PHE D 189 ? 0.5130 0.5520 0.4789 0.0150 -0.0166 -0.0167 256 PHE D CB 10355 C CG . PHE D 189 ? 0.5417 0.5744 0.5048 0.0140 -0.0175 -0.0164 256 PHE D CG 10356 C CD1 . PHE D 189 ? 0.5402 0.5700 0.5009 0.0121 -0.0174 -0.0169 256 PHE D CD1 10357 C CD2 . PHE D 189 ? 0.5259 0.5559 0.4887 0.0146 -0.0184 -0.0155 256 PHE D CD2 10358 C CE1 . PHE D 189 ? 0.5118 0.5362 0.4697 0.0108 -0.0183 -0.0165 256 PHE D CE1 10359 C CE2 . PHE D 189 ? 0.5137 0.5382 0.4737 0.0133 -0.0192 -0.0151 256 PHE D CE2 10360 C CZ . PHE D 189 ? 0.5294 0.5510 0.4868 0.0113 -0.0191 -0.0157 256 PHE D CZ 10361 N N . ILE D 190 ? 0.4797 0.5324 0.4527 0.0141 -0.0156 -0.0146 257 ILE D N 10362 C CA . ILE D 190 ? 0.4732 0.5317 0.4483 0.0140 -0.0149 -0.0144 257 ILE D CA 10363 C C . ILE D 190 ? 0.5523 0.6138 0.5290 0.0161 -0.0150 -0.0144 257 ILE D C 10364 O O . ILE D 190 ? 0.5591 0.6192 0.5362 0.0165 -0.0157 -0.0135 257 ILE D O 10365 C CB . ILE D 190 ? 0.4734 0.5335 0.4497 0.0114 -0.0149 -0.0129 257 ILE D CB 10366 C CG1 . ILE D 190 ? 0.5533 0.6113 0.5283 0.0096 -0.0148 -0.0129 257 ILE D CG1 10367 C CG2 . ILE D 190 ? 0.4980 0.5638 0.4761 0.0109 -0.0144 -0.0125 257 ILE D CG2 10368 C CD1 . ILE D 190 ? 0.5988 0.6562 0.5745 0.0075 -0.0151 -0.0115 257 ILE D CD1 10369 N N . LYS D 191 ? 0.5745 0.6406 0.5522 0.0172 -0.0144 -0.0153 258 LYS D N 10370 C CA . LYS D 191 ? 0.6405 0.7103 0.6197 0.0195 -0.0144 -0.0155 258 LYS D CA 10371 C C . LYS D 191 ? 0.6074 0.6839 0.5885 0.0183 -0.0138 -0.0151 258 LYS D C 10372 O O . LYS D 191 ? 0.5379 0.6171 0.5188 0.0179 -0.0131 -0.0159 258 LYS D O 10373 C CB . LYS D 191 ? 0.7504 0.8192 0.7285 0.0225 -0.0143 -0.0173 258 LYS D CB 10374 C CG . LYS D 191 ? 0.9781 1.0467 0.9568 0.0256 -0.0149 -0.0175 258 LYS D CG 10375 C CD . LYS D 191 ? 0.9963 1.0616 0.9731 0.0286 -0.0148 -0.0195 258 LYS D CD 10376 C CE . LYS D 191 ? 1.2685 1.3362 1.2464 0.0324 -0.0151 -0.0201 258 LYS D CE 10377 N NZ . LYS D 191 ? 1.4159 1.4824 1.3925 0.0355 -0.0147 -0.0224 258 LYS D NZ 10378 N N . GLU D 192 ? 0.5430 0.6220 0.5256 0.0174 -0.0141 -0.0136 259 GLU D N 10379 C CA . GLU D 192 ? 0.6347 0.7196 0.6187 0.0157 -0.0136 -0.0130 259 GLU D CA 10380 C C . GLU D 192 ? 0.5968 0.6816 0.5801 0.0131 -0.0132 -0.0127 259 GLU D C 10381 O O . GLU D 192 ? 0.6079 0.6972 0.5915 0.0122 -0.0126 -0.0130 259 GLU D O 10382 C CB . GLU D 192 ? 0.6760 0.7670 0.6612 0.0176 -0.0131 -0.0140 259 GLU D CB 10383 C CG . GLU D 192 ? 0.8126 0.9053 0.7991 0.0199 -0.0136 -0.0139 259 GLU D CG 10384 C CD . GLU D 192 ? 0.9036 1.0031 0.8915 0.0218 -0.0130 -0.0150 259 GLU D CD 10385 O OE1 . GLU D 192 ? 1.0940 1.1934 1.0814 0.0243 -0.0126 -0.0167 259 GLU D OE1 10386 O OE2 . GLU D 192 ? 0.9769 1.0822 0.9663 0.0208 -0.0129 -0.0142 259 GLU D OE2 10387 N N . GLY D 193 ? 0.5407 0.6206 0.5229 0.0118 -0.0135 -0.0121 260 GLY D N 10388 C CA . GLY D 193 ? 0.4976 0.5768 0.4791 0.0096 -0.0133 -0.0117 260 GLY D CA 10389 C C . GLY D 193 ? 0.5370 0.6154 0.5172 0.0098 -0.0129 -0.0130 260 GLY D C 10390 O O . GLY D 193 ? 0.5245 0.6019 0.5040 0.0079 -0.0129 -0.0125 260 GLY D O 10391 N N . LYS D 194 ? 0.5684 0.6471 0.5482 0.0121 -0.0126 -0.0146 261 LYS D N 10392 C CA . LYS D 194 ? 0.5909 0.6682 0.5691 0.0124 -0.0122 -0.0160 261 LYS D CA 10393 C C . LYS D 194 ? 0.5250 0.5959 0.5014 0.0129 -0.0127 -0.0164 261 LYS D C 10394 O O . LYS D 194 ? 0.4847 0.5526 0.4607 0.0147 -0.0132 -0.0166 261 LYS D O 10395 C CB . LYS D 194 ? 0.6863 0.7671 0.6647 0.0148 -0.0116 -0.0178 261 LYS D CB 10396 C CG . LYS D 194 ? 0.8734 0.9594 0.8520 0.0136 -0.0108 -0.0183 261 LYS D CG 10397 C CD . LYS D 194 ? 0.9850 1.0759 0.9652 0.0117 -0.0108 -0.0167 261 LYS D CD 10398 C CE . LYS D 194 ? 0.9917 1.0881 0.9719 0.0106 -0.0100 -0.0174 261 LYS D CE 10399 N NZ . LYS D 194 ? 0.9007 1.0016 0.8820 0.0084 -0.0101 -0.0159 261 LYS D NZ 10400 N N . ILE D 195 ? 0.4827 0.5516 0.4576 0.0113 -0.0126 -0.0165 262 ILE D N 10401 C CA . ILE D 195 ? 0.4919 0.5550 0.4647 0.0114 -0.0130 -0.0170 262 ILE D CA 10402 C C . ILE D 195 ? 0.5265 0.5879 0.4976 0.0137 -0.0127 -0.0190 262 ILE D C 10403 O O . ILE D 195 ? 0.4838 0.5473 0.4544 0.0138 -0.0121 -0.0202 262 ILE D O 10404 C CB . ILE D 195 ? 0.4980 0.5601 0.4697 0.0090 -0.0130 -0.0167 262 ILE D CB 10405 C CG1 . ILE D 195 ? 0.5510 0.6145 0.5243 0.0070 -0.0133 -0.0148 262 ILE D CG1 10406 C CG2 . ILE D 195 ? 0.5712 0.6275 0.5405 0.0088 -0.0135 -0.0171 262 ILE D CG2 10407 C CD1 . ILE D 195 ? 0.6476 0.7115 0.6204 0.0048 -0.0133 -0.0142 262 ILE D CD1 10408 N N . VAL D 196 ? 0.5762 0.6333 0.5463 0.0155 -0.0133 -0.0194 263 VAL D N 10409 C CA . VAL D 196 ? 0.5785 0.6334 0.5468 0.0181 -0.0131 -0.0214 263 VAL D CA 10410 C C . VAL D 196 ? 0.5585 0.6069 0.5236 0.0174 -0.0135 -0.0220 263 VAL D C 10411 O O . VAL D 196 ? 0.4881 0.5342 0.4510 0.0189 -0.0132 -0.0238 263 VAL D O 10412 C CB . VAL D 196 ? 0.5831 0.6383 0.5524 0.0212 -0.0134 -0.0217 263 VAL D CB 10413 C CG1 . VAL D 196 ? 0.5678 0.6303 0.5401 0.0218 -0.0129 -0.0213 263 VAL D CG1 10414 C CG2 . VAL D 196 ? 0.6407 0.6916 0.6097 0.0211 -0.0145 -0.0203 263 VAL D CG2 10415 N N . HIS D 197 ? 0.5983 0.6436 0.5627 0.0152 -0.0141 -0.0207 264 HIS D N 10416 C CA . HIS D 197 ? 0.5796 0.6189 0.5406 0.0141 -0.0146 -0.0212 264 HIS D CA 10417 C C . HIS D 197 ? 0.5412 0.5798 0.5024 0.0111 -0.0150 -0.0196 264 HIS D C 10418 O O . HIS D 197 ? 0.6206 0.6612 0.5840 0.0106 -0.0152 -0.0181 264 HIS D O 10419 C CB . HIS D 197 ? 0.6456 0.6790 0.6044 0.0162 -0.0153 -0.0218 264 HIS D CB 10420 C CG . HIS D 197 ? 0.6628 0.6897 0.6175 0.0153 -0.0157 -0.0227 264 HIS D CG 10421 N ND1 . HIS D 197 ? 0.7156 0.7381 0.6684 0.0131 -0.0166 -0.0217 264 HIS D ND1 10422 C CD2 . HIS D 197 ? 0.6901 0.7141 0.6418 0.0161 -0.0154 -0.0246 264 HIS D CD2 10423 C CE1 . HIS D 197 ? 0.6834 0.7007 0.6323 0.0124 -0.0168 -0.0228 264 HIS D CE1 10424 N NE2 . HIS D 197 ? 0.6991 0.7169 0.6472 0.0142 -0.0161 -0.0246 264 HIS D NE2 10425 N N . ILE D 198 ? 0.5239 0.5598 0.4826 0.0091 -0.0150 -0.0199 265 ILE D N 10426 C CA . ILE D 198 ? 0.5850 0.6199 0.5435 0.0064 -0.0155 -0.0186 265 ILE D CA 10427 C C . ILE D 198 ? 0.5897 0.6183 0.5443 0.0053 -0.0161 -0.0191 265 ILE D C 10428 O O . ILE D 198 ? 0.6004 0.6267 0.5523 0.0053 -0.0159 -0.0205 265 ILE D O 10429 C CB . ILE D 198 ? 0.6054 0.6443 0.5648 0.0043 -0.0150 -0.0182 265 ILE D CB 10430 C CG1 . ILE D 198 ? 0.6157 0.6603 0.5783 0.0051 -0.0145 -0.0178 265 ILE D CG1 10431 C CG2 . ILE D 198 ? 0.5958 0.6345 0.5555 0.0017 -0.0155 -0.0168 265 ILE D CG2 10432 C CD1 . ILE D 198 ? 0.6558 0.7044 0.6198 0.0031 -0.0142 -0.0168 265 ILE D CD1 10433 N N . SER D 199 ? 0.5917 0.6176 0.5458 0.0043 -0.0169 -0.0180 266 SER D N 10434 C CA . SER D 199 ? 0.5740 0.5939 0.5242 0.0029 -0.0176 -0.0184 266 SER D CA 10435 C C . SER D 199 ? 0.5871 0.6081 0.5373 -0.0002 -0.0178 -0.0172 266 SER D C 10436 O O . SER D 199 ? 0.5766 0.6012 0.5297 -0.0008 -0.0178 -0.0159 266 SER D O 10437 C CB . SER D 199 ? 0.5597 0.5751 0.5087 0.0042 -0.0185 -0.0180 266 SER D CB 10438 O OG . SER D 199 ? 0.5775 0.5915 0.5263 0.0075 -0.0184 -0.0191 266 SER D OG 10439 N N . PRO D 200 ? 0.5999 0.6178 0.5467 -0.0023 -0.0180 -0.0178 267 PRO D N 10440 C CA . PRO D 200 ? 0.6242 0.6433 0.5708 -0.0054 -0.0184 -0.0167 267 PRO D CA 10441 C C . PRO D 200 ? 0.5519 0.5679 0.4976 -0.0062 -0.0192 -0.0158 267 PRO D C 10442 O O . PRO D 200 ? 0.5816 0.5927 0.5252 -0.0049 -0.0197 -0.0162 267 PRO D O 10443 C CB . PRO D 200 ? 0.5949 0.6110 0.5376 -0.0074 -0.0184 -0.0177 267 PRO D CB 10444 C CG . PRO D 200 ? 0.5959 0.6064 0.5354 -0.0055 -0.0186 -0.0192 267 PRO D CG 10445 C CD . PRO D 200 ? 0.5823 0.5951 0.5250 -0.0019 -0.0181 -0.0195 267 PRO D CD 10446 N N . LEU D 201 ? 0.5998 0.6189 0.5471 -0.0082 -0.0192 -0.0146 268 LEU D N 10447 C CA . LEU D 201 ? 0.5895 0.6061 0.5355 -0.0097 -0.0200 -0.0137 268 LEU D CA 10448 C C . LEU D 201 ? 0.6018 0.6124 0.5427 -0.0116 -0.0207 -0.0144 268 LEU D C 10449 O O . LEU D 201 ? 0.7423 0.7525 0.6811 -0.0133 -0.0206 -0.0150 268 LEU D O 10450 C CB . LEU D 201 ? 0.6143 0.6356 0.5625 -0.0118 -0.0198 -0.0126 268 LEU D CB 10451 C CG . LEU D 201 ? 0.6471 0.6667 0.5940 -0.0138 -0.0205 -0.0118 268 LEU D CG 10452 C CD1 . LEU D 201 ? 0.6279 0.6464 0.5762 -0.0119 -0.0207 -0.0113 268 LEU D CD1 10453 C CD2 . LEU D 201 ? 0.6865 0.7115 0.6355 -0.0160 -0.0202 -0.0109 268 LEU D CD2 10454 N N . SER D 202 ? 0.6575 0.6632 0.5961 -0.0116 -0.0215 -0.0141 269 SER D N 10455 C CA . SER D 202 ? 0.6751 0.6746 0.6084 -0.0136 -0.0223 -0.0145 269 SER D CA 10456 C C . SER D 202 ? 0.6707 0.6683 0.6029 -0.0156 -0.0232 -0.0133 269 SER D C 10457 O O . SER D 202 ? 0.5996 0.6001 0.5349 -0.0146 -0.0231 -0.0124 269 SER D O 10458 C CB . SER D 202 ? 0.7265 0.7206 0.6575 -0.0109 -0.0225 -0.0158 269 SER D CB 10459 O OG . SER D 202 ? 0.8162 0.8032 0.7417 -0.0124 -0.0234 -0.0163 269 SER D OG 10460 N N . GLY D 203 ? 0.6209 0.6140 0.5484 -0.0186 -0.0240 -0.0133 270 GLY D N 10461 C CA . GLY D 203 ? 0.5826 0.5742 0.5085 -0.0212 -0.0248 -0.0121 270 GLY D CA 10462 C C . GLY D 203 ? 0.6307 0.6280 0.5577 -0.0247 -0.0245 -0.0114 270 GLY D C 10463 O O . GLY D 203 ? 0.6077 0.6079 0.5349 -0.0258 -0.0240 -0.0118 270 GLY D O 10464 N N . SER D 204 ? 0.6207 0.6198 0.5484 -0.0264 -0.0248 -0.0103 271 SER D N 10465 C CA . SER D 204 ? 0.6531 0.6571 0.5811 -0.0300 -0.0246 -0.0098 271 SER D CA 10466 C C . SER D 204 ? 0.6480 0.6606 0.5818 -0.0293 -0.0236 -0.0092 271 SER D C 10467 O O . SER D 204 ? 0.7066 0.7239 0.6411 -0.0318 -0.0234 -0.0088 271 SER D O 10468 C CB . SER D 204 ? 0.6587 0.6590 0.5825 -0.0335 -0.0256 -0.0091 271 SER D CB 10469 O OG . SER D 204 ? 0.6418 0.6412 0.5667 -0.0324 -0.0260 -0.0084 271 SER D OG 10470 N N . ALA D 205 ? 0.6105 0.6250 0.5482 -0.0259 -0.0230 -0.0092 272 ALA D N 10471 C CA . ALA D 205 ? 0.6384 0.6602 0.5813 -0.0250 -0.0222 -0.0087 272 ALA D CA 10472 C C . ALA D 205 ? 0.6440 0.6705 0.5889 -0.0249 -0.0215 -0.0090 272 ALA D C 10473 O O . ALA D 205 ? 0.6786 0.7030 0.6223 -0.0241 -0.0214 -0.0097 272 ALA D O 10474 C CB . ALA D 205 ? 0.6244 0.6462 0.5702 -0.0216 -0.0218 -0.0086 272 ALA D CB 10475 N N . GLN D 206 ? 0.5905 0.6232 0.5383 -0.0258 -0.0210 -0.0085 273 GLN D N 10476 C CA . GLN D 206 ? 0.7751 0.8119 0.7238 -0.0266 -0.0207 -0.0086 273 GLN D CA 10477 C C . GLN D 206 ? 0.8355 0.8778 0.7890 -0.0243 -0.0199 -0.0084 273 GLN D C 10478 O O . GLN D 206 ? 1.2245 1.2682 1.1782 -0.0241 -0.0198 -0.0087 273 GLN D O 10479 C CB . GLN D 206 ? 0.6996 0.7392 0.6467 -0.0303 -0.0209 -0.0083 273 GLN D CB 10480 C CG . GLN D 206 ? 0.8052 0.8393 0.7468 -0.0330 -0.0217 -0.0087 273 GLN D CG 10481 C CD . GLN D 206 ? 0.8452 0.8820 0.7849 -0.0370 -0.0221 -0.0083 273 GLN D CD 10482 O OE1 . GLN D 206 ? 1.0183 1.0508 0.9539 -0.0395 -0.0228 -0.0083 273 GLN D OE1 10483 N NE2 . GLN D 206 ? 0.9087 0.9526 0.8512 -0.0376 -0.0216 -0.0080 273 GLN D NE2 10484 N N . HIS D 207 ? 0.6679 0.7133 0.6247 -0.0229 -0.0195 -0.0080 274 HIS D N 10485 C CA . HIS D 207 ? 0.6438 0.6942 0.6048 -0.0209 -0.0189 -0.0077 274 HIS D CA 10486 C C . HIS D 207 ? 0.6400 0.6907 0.6039 -0.0182 -0.0185 -0.0074 274 HIS D C 10487 O O . HIS D 207 ? 0.5047 0.5594 0.4717 -0.0174 -0.0181 -0.0070 274 HIS D O 10488 C CB . HIS D 207 ? 0.5620 0.6183 0.5249 -0.0221 -0.0187 -0.0072 274 HIS D CB 10489 C CG . HIS D 207 ? 0.6457 0.7040 0.6069 -0.0247 -0.0190 -0.0072 274 HIS D CG 10490 N ND1 . HIS D 207 ? 0.7787 0.8356 0.7366 -0.0278 -0.0195 -0.0073 274 HIS D ND1 10491 C CD2 . HIS D 207 ? 0.6212 0.6834 0.5835 -0.0249 -0.0190 -0.0070 274 HIS D CD2 10492 C CE1 . HIS D 207 ? 0.6548 0.7143 0.6116 -0.0299 -0.0197 -0.0072 274 HIS D CE1 10493 N NE2 . HIS D 207 ? 0.5974 0.6604 0.5570 -0.0281 -0.0194 -0.0071 274 HIS D NE2 10494 N N . ILE D 208 ? 0.5710 0.6181 0.5341 -0.0166 -0.0185 -0.0078 275 ILE D N 10495 C CA . ILE D 208 ? 0.6444 0.6898 0.6087 -0.0147 -0.0184 -0.0077 275 ILE D CA 10496 C C . ILE D 208 ? 0.6385 0.6873 0.6062 -0.0127 -0.0178 -0.0074 275 ILE D C 10497 O O . ILE D 208 ? 0.5371 0.5870 0.5054 -0.0120 -0.0177 -0.0075 275 ILE D O 10498 C CB . ILE D 208 ? 0.6251 0.6658 0.5874 -0.0135 -0.0187 -0.0082 275 ILE D CB 10499 C CG1 . ILE D 208 ? 0.6859 0.7219 0.6441 -0.0153 -0.0194 -0.0085 275 ILE D CG1 10500 C CG2 . ILE D 208 ? 0.6389 0.6790 0.6030 -0.0112 -0.0185 -0.0081 275 ILE D CG2 10501 C CD1 . ILE D 208 ? 0.8651 0.8980 0.8223 -0.0151 -0.0198 -0.0083 275 ILE D CD1 10502 N N . GLU D 209 ? 0.5825 0.6325 0.5523 -0.0119 -0.0176 -0.0070 276 GLU D N 10503 C CA . GLU D 209 ? 0.6091 0.6616 0.5818 -0.0101 -0.0171 -0.0067 276 GLU D CA 10504 C C . GLU D 209 ? 0.5797 0.6305 0.5529 -0.0091 -0.0170 -0.0066 276 GLU D C 10505 O O . GLU D 209 ? 0.5230 0.5723 0.4950 -0.0101 -0.0172 -0.0066 276 GLU D O 10506 C CB . GLU D 209 ? 0.7361 0.7926 0.7107 -0.0104 -0.0169 -0.0063 276 GLU D CB 10507 C CG . GLU D 209 ? 0.8570 0.9168 0.8333 -0.0099 -0.0168 -0.0061 276 GLU D CG 10508 C CD . GLU D 209 ? 1.0495 1.1088 1.0246 -0.0102 -0.0170 -0.0062 276 GLU D CD 10509 O OE1 . GLU D 209 ? 1.1064 1.1655 1.0822 -0.0088 -0.0170 -0.0061 276 GLU D OE1 10510 O OE2 . GLU D 209 ? 1.1704 1.2296 1.1437 -0.0119 -0.0173 -0.0064 276 GLU D OE2 10511 N N . GLU D 210 ? 0.5078 0.5591 0.4826 -0.0075 -0.0168 -0.0064 277 GLU D N 10512 C CA . GLU D 210 ? 0.4922 0.5433 0.4680 -0.0067 -0.0166 -0.0061 277 GLU D CA 10513 C C . GLU D 210 ? 0.5323 0.5804 0.5065 -0.0070 -0.0169 -0.0062 277 GLU D C 10514 O O . GLU D 210 ? 0.4414 0.4895 0.4157 -0.0077 -0.0169 -0.0060 277 GLU D O 10515 C CB . GLU D 210 ? 0.4813 0.5350 0.4588 -0.0069 -0.0162 -0.0059 277 GLU D CB 10516 C CG . GLU D 210 ? 0.4767 0.5329 0.4559 -0.0061 -0.0160 -0.0056 277 GLU D CG 10517 C CD . GLU D 210 ? 0.4799 0.5387 0.4606 -0.0061 -0.0157 -0.0055 277 GLU D CD 10518 O OE1 . GLU D 210 ? 0.5922 0.6516 0.5727 -0.0071 -0.0156 -0.0058 277 GLU D OE1 10519 O OE2 . GLU D 210 ? 0.6218 0.6823 0.6040 -0.0051 -0.0156 -0.0052 277 GLU D OE2 10520 N N . CYS D 211 ? 0.4868 0.5323 0.4594 -0.0066 -0.0173 -0.0065 278 CYS D N 10521 C CA . CYS D 211 ? 0.5138 0.5562 0.4847 -0.0066 -0.0178 -0.0065 278 CYS D CA 10522 C C . CYS D 211 ? 0.5003 0.5429 0.4724 -0.0057 -0.0177 -0.0060 278 CYS D C 10523 O O . CYS D 211 ? 0.5160 0.5603 0.4898 -0.0044 -0.0174 -0.0060 278 CYS D O 10524 C CB . CYS D 211 ? 0.5745 0.6141 0.5436 -0.0058 -0.0182 -0.0069 278 CYS D CB 10525 S SG . CYS D 211 ? 0.6081 0.6463 0.5748 -0.0075 -0.0185 -0.0074 278 CYS D SG 10526 N N . SER D 212 ? 0.4504 0.4917 0.4217 -0.0066 -0.0180 -0.0058 279 SER D N 10527 C CA . SER D 212 ? 0.4739 0.5147 0.4456 -0.0060 -0.0182 -0.0053 279 SER D CA 10528 C C . SER D 212 ? 0.4324 0.4697 0.4021 -0.0054 -0.0190 -0.0053 279 SER D C 10529 O O . SER D 212 ? 0.4711 0.5058 0.4386 -0.0066 -0.0196 -0.0052 279 SER D O 10530 C CB . SER D 212 ? 0.4927 0.5341 0.4645 -0.0074 -0.0180 -0.0050 279 SER D CB 10531 O OG . SER D 212 ? 0.5307 0.5750 0.5040 -0.0079 -0.0173 -0.0052 279 SER D OG 10532 N N . CYS D 213 ? 0.4864 0.5238 0.4568 -0.0035 -0.0191 -0.0053 280 CYS D N 10533 C CA . CYS D 213 ? 0.4176 0.4521 0.3864 -0.0022 -0.0198 -0.0055 280 CYS D CA 10534 C C . CYS D 213 ? 0.4260 0.4606 0.3954 -0.0012 -0.0202 -0.0048 280 CYS D C 10535 O O . CYS D 213 ? 0.4525 0.4900 0.4238 -0.0012 -0.0198 -0.0045 280 CYS D O 10536 C CB . CYS D 213 ? 0.4626 0.4979 0.4320 -0.0005 -0.0195 -0.0061 280 CYS D CB 10537 S SG . CYS D 213 ? 0.4785 0.5138 0.4470 -0.0015 -0.0191 -0.0069 280 CYS D SG 10538 N N . TYR D 214 ? 0.4182 0.4495 0.3857 -0.0004 -0.0212 -0.0047 281 TYR D N 10539 C CA . TYR D 214 ? 0.4608 0.4920 0.4286 0.0005 -0.0217 -0.0041 281 TYR D CA 10540 C C . TYR D 214 ? 0.4746 0.5026 0.4407 0.0026 -0.0226 -0.0043 281 TYR D C 10541 O O . TYR D 214 ? 0.4695 0.4939 0.4333 0.0026 -0.0230 -0.0048 281 TYR D O 10542 C CB . TYR D 214 ? 0.4529 0.4830 0.4197 -0.0014 -0.0222 -0.0032 281 TYR D CB 10543 C CG . TYR D 214 ? 0.4779 0.5038 0.4416 -0.0030 -0.0229 -0.0032 281 TYR D CG 10544 C CD1 . TYR D 214 ? 0.5172 0.5390 0.4785 -0.0026 -0.0242 -0.0026 281 TYR D CD1 10545 C CD2 . TYR D 214 ? 0.4980 0.5241 0.4611 -0.0052 -0.0225 -0.0035 281 TYR D CD2 10546 C CE1 . TYR D 214 ? 0.5316 0.5492 0.4897 -0.0045 -0.0250 -0.0024 281 TYR D CE1 10547 C CE2 . TYR D 214 ? 0.5022 0.5248 0.4623 -0.0072 -0.0232 -0.0033 281 TYR D CE2 10548 C CZ . TYR D 214 ? 0.5478 0.5659 0.5052 -0.0069 -0.0245 -0.0028 281 TYR D CZ 10549 O OH . TYR D 214 ? 0.5519 0.5662 0.5058 -0.0091 -0.0253 -0.0025 281 TYR D OH 10550 N N . PRO D 215 ? 0.4916 0.5211 0.4589 0.0044 -0.0230 -0.0039 282 PRO D N 10551 C CA . PRO D 215 ? 0.5286 0.5555 0.4947 0.0068 -0.0239 -0.0040 282 PRO D CA 10552 C C . PRO D 215 ? 0.5222 0.5443 0.4855 0.0062 -0.0252 -0.0033 282 PRO D C 10553 O O . PRO D 215 ? 0.5185 0.5410 0.4818 0.0044 -0.0255 -0.0023 282 PRO D O 10554 C CB . PRO D 215 ? 0.4874 0.5188 0.4562 0.0087 -0.0237 -0.0038 282 PRO D CB 10555 C CG . PRO D 215 ? 0.4887 0.5232 0.4590 0.0066 -0.0232 -0.0029 282 PRO D CG 10556 C CD . PRO D 215 ? 0.4922 0.5263 0.4622 0.0043 -0.0225 -0.0033 282 PRO D CD 10557 N N . ARG D 216 ? 0.5130 0.5304 0.4738 0.0074 -0.0260 -0.0038 283 ARG D N 10558 C CA . ARG D 216 ? 0.5347 0.5466 0.4922 0.0070 -0.0274 -0.0031 283 ARG D CA 10559 C C . ARG D 216 ? 0.5246 0.5333 0.4808 0.0103 -0.0282 -0.0037 283 ARG D C 10560 O O . ARG D 216 ? 0.5538 0.5576 0.5070 0.0106 -0.0286 -0.0045 283 ARG D O 10561 C CB . ARG D 216 ? 0.5837 0.5920 0.5383 0.0040 -0.0275 -0.0033 283 ARG D CB 10562 C CG . ARG D 216 ? 0.5771 0.5799 0.5280 0.0026 -0.0289 -0.0024 283 ARG D CG 10563 C CD . ARG D 216 ? 0.5859 0.5868 0.5346 -0.0008 -0.0287 -0.0025 283 ARG D CD 10564 N NE . ARG D 216 ? 0.6709 0.6670 0.6160 -0.0027 -0.0301 -0.0015 283 ARG D NE 10565 C CZ . ARG D 216 ? 0.6966 0.6861 0.6378 -0.0021 -0.0315 -0.0014 283 ARG D CZ 10566 N NH1 . ARG D 216 ? 0.7614 0.7482 0.7017 0.0004 -0.0316 -0.0024 283 ARG D NH1 10567 N NH2 . ARG D 216 ? 0.6686 0.6537 0.6063 -0.0043 -0.0329 -0.0003 283 ARG D NH2 10568 N N . TYR D 217 ? 0.5747 0.5863 0.5330 0.0129 -0.0285 -0.0034 284 TYR D N 10569 C CA . TYR D 217 ? 0.6082 0.6190 0.5666 0.0167 -0.0289 -0.0042 284 TYR D CA 10570 C C . TYR D 217 ? 0.6243 0.6271 0.5783 0.0177 -0.0302 -0.0045 284 TYR D C 10571 O O . TYR D 217 ? 0.6375 0.6359 0.5889 0.0162 -0.0314 -0.0034 284 TYR D O 10572 C CB . TYR D 217 ? 0.6175 0.6322 0.5783 0.0189 -0.0294 -0.0033 284 TYR D CB 10573 C CG . TYR D 217 ? 0.6210 0.6366 0.5825 0.0231 -0.0295 -0.0042 284 TYR D CG 10574 C CD1 . TYR D 217 ? 0.6470 0.6686 0.6117 0.0244 -0.0282 -0.0052 284 TYR D CD1 10575 C CD2 . TYR D 217 ? 0.6196 0.6299 0.5787 0.0257 -0.0311 -0.0041 284 TYR D CD2 10576 C CE1 . TYR D 217 ? 0.6618 0.6848 0.6272 0.0282 -0.0282 -0.0063 284 TYR D CE1 10577 C CE2 . TYR D 217 ? 0.6135 0.6248 0.5734 0.0299 -0.0311 -0.0052 284 TYR D CE2 10578 C CZ . TYR D 217 ? 0.6861 0.7040 0.6492 0.0311 -0.0297 -0.0063 284 TYR D CZ 10579 O OH . TYR D 217 ? 0.7105 0.7300 0.6745 0.0352 -0.0296 -0.0075 284 TYR D OH 10580 N N . PRO D 218 ? 0.6240 0.6249 0.5770 0.0200 -0.0299 -0.0060 285 PRO D N 10581 C CA . PRO D 218 ? 0.6262 0.6320 0.5819 0.0220 -0.0285 -0.0074 285 PRO D CA 10582 C C . PRO D 218 ? 0.5926 0.5999 0.5485 0.0194 -0.0272 -0.0082 285 PRO D C 10583 O O . PRO D 218 ? 0.5990 0.6096 0.5565 0.0206 -0.0260 -0.0095 285 PRO D O 10584 C CB . PRO D 218 ? 0.6161 0.6171 0.5694 0.0254 -0.0292 -0.0087 285 PRO D CB 10585 C CG . PRO D 218 ? 0.6190 0.6115 0.5674 0.0236 -0.0304 -0.0083 285 PRO D CG 10586 C CD . PRO D 218 ? 0.6143 0.6069 0.5626 0.0207 -0.0311 -0.0064 285 PRO D CD 10587 N N . ASP D 219 ? 0.6130 0.6182 0.5674 0.0158 -0.0272 -0.0075 286 ASP D N 10588 C CA . ASP D 219 ? 0.5927 0.5994 0.5472 0.0134 -0.0261 -0.0082 286 ASP D CA 10589 C C . ASP D 219 ? 0.5838 0.5959 0.5412 0.0109 -0.0252 -0.0074 286 ASP D C 10590 O O . ASP D 219 ? 0.5761 0.5915 0.5358 0.0111 -0.0252 -0.0065 286 ASP D O 10591 C CB . ASP D 219 ? 0.6655 0.6655 0.6156 0.0115 -0.0268 -0.0084 286 ASP D CB 10592 C CG . ASP D 219 ? 0.8783 0.8724 0.8252 0.0142 -0.0277 -0.0094 286 ASP D CG 10593 O OD1 . ASP D 219 ? 0.8796 0.8755 0.8276 0.0168 -0.0269 -0.0108 286 ASP D OD1 10594 O OD2 . ASP D 219 ? 0.9564 0.9441 0.8997 0.0137 -0.0290 -0.0089 286 ASP D OD2 10595 N N . VAL D 220 ? 0.5187 0.5317 0.4760 0.0088 -0.0243 -0.0079 287 VAL D N 10596 C CA . VAL D 220 ? 0.4825 0.4999 0.4422 0.0065 -0.0235 -0.0073 287 VAL D CA 10597 C C . VAL D 220 ? 0.4745 0.4894 0.4319 0.0034 -0.0236 -0.0072 287 VAL D C 10598 O O . VAL D 220 ? 0.4731 0.4843 0.4277 0.0029 -0.0239 -0.0079 287 VAL D O 10599 C CB . VAL D 220 ? 0.4913 0.5137 0.4537 0.0070 -0.0222 -0.0080 287 VAL D CB 10600 C CG1 . VAL D 220 ? 0.4766 0.5027 0.4409 0.0046 -0.0215 -0.0074 287 VAL D CG1 10601 C CG2 . VAL D 220 ? 0.4714 0.4974 0.4363 0.0096 -0.0221 -0.0080 287 VAL D CG2 10602 N N . ARG D 221 ? 0.4826 0.4994 0.4409 0.0012 -0.0234 -0.0063 288 ARG D N 10603 C CA . ARG D 221 ? 0.4959 0.5114 0.4524 -0.0018 -0.0235 -0.0061 288 ARG D CA 10604 C C . ARG D 221 ? 0.5238 0.5444 0.4832 -0.0032 -0.0225 -0.0059 288 ARG D C 10605 O O . ARG D 221 ? 0.4599 0.4839 0.4218 -0.0026 -0.0221 -0.0055 288 ARG D O 10606 C CB . ARG D 221 ? 0.5356 0.5476 0.4898 -0.0031 -0.0246 -0.0052 288 ARG D CB 10607 C CG . ARG D 221 ? 0.5987 0.6097 0.5509 -0.0065 -0.0247 -0.0049 288 ARG D CG 10608 C CD . ARG D 221 ? 0.6095 0.6157 0.5583 -0.0078 -0.0261 -0.0041 288 ARG D CD 10609 N NE . ARG D 221 ? 0.6459 0.6460 0.5908 -0.0075 -0.0271 -0.0044 288 ARG D NE 10610 C CZ . ARG D 221 ? 0.6424 0.6367 0.5835 -0.0082 -0.0286 -0.0038 288 ARG D CZ 10611 N NH1 . ARG D 221 ? 0.7178 0.7119 0.6586 -0.0094 -0.0292 -0.0026 288 ARG D NH1 10612 N NH2 . ARG D 221 ? 0.5981 0.5865 0.5354 -0.0078 -0.0294 -0.0043 288 ARG D NH2 10613 N N . CYS D 222 ? 0.5532 0.5744 0.5120 -0.0050 -0.0220 -0.0063 289 CYS D N 10614 C CA . CYS D 222 ? 0.5119 0.5379 0.4733 -0.0061 -0.0211 -0.0062 289 CYS D CA 10615 C C . CYS D 222 ? 0.4788 0.5047 0.4388 -0.0090 -0.0212 -0.0060 289 CYS D C 10616 O O . CYS D 222 ? 0.5205 0.5432 0.4775 -0.0103 -0.0217 -0.0062 289 CYS D O 10617 C CB . CYS D 222 ? 0.5217 0.5499 0.4842 -0.0053 -0.0204 -0.0069 289 CYS D CB 10618 S SG . CYS D 222 ? 0.5698 0.5988 0.5338 -0.0022 -0.0201 -0.0074 289 CYS D SG 10619 N N . VAL D 223 ? 0.5026 0.5322 0.4647 -0.0099 -0.0206 -0.0056 290 VAL D N 10620 C CA . VAL D 223 ? 0.4480 0.4790 0.4095 -0.0124 -0.0204 -0.0056 290 VAL D CA 10621 C C . VAL D 223 ? 0.4671 0.5027 0.4314 -0.0121 -0.0194 -0.0059 290 VAL D C 10622 O O . VAL D 223 ? 0.4815 0.5195 0.4484 -0.0106 -0.0189 -0.0058 290 VAL D O 10623 C CB . VAL D 223 ? 0.4828 0.5140 0.4440 -0.0138 -0.0206 -0.0050 290 VAL D CB 10624 C CG1 . VAL D 223 ? 0.4415 0.4752 0.4025 -0.0163 -0.0202 -0.0051 290 VAL D CG1 10625 C CG2 . VAL D 223 ? 0.4663 0.4924 0.4243 -0.0142 -0.0218 -0.0045 290 VAL D CG2 10626 N N . CYS D 224 ? 0.4930 0.5299 0.4567 -0.0135 -0.0193 -0.0061 291 CYS D N 10627 C CA . CYS D 224 ? 0.5055 0.5463 0.4716 -0.0129 -0.0186 -0.0064 291 CYS D CA 10628 C C . CYS D 224 ? 0.4610 0.5056 0.4281 -0.0145 -0.0182 -0.0064 291 CYS D C 10629 O O . CYS D 224 ? 0.5048 0.5496 0.4710 -0.0162 -0.0182 -0.0062 291 CYS D O 10630 C CB . CYS D 224 ? 0.5081 0.5476 0.4732 -0.0123 -0.0187 -0.0068 291 CYS D CB 10631 S SG . CYS D 224 ? 0.5706 0.6056 0.5341 -0.0103 -0.0192 -0.0071 291 CYS D SG 10632 N N . ARG D 225 ? 0.4495 0.4972 0.4182 -0.0140 -0.0177 -0.0065 292 ARG D N 10633 C CA . ARG D 225 ? 0.4568 0.5088 0.4268 -0.0151 -0.0174 -0.0065 292 ARG D CA 10634 C C . ARG D 225 ? 0.4933 0.5459 0.4620 -0.0164 -0.0176 -0.0067 292 ARG D C 10635 O O . ARG D 225 ? 0.4881 0.5401 0.4569 -0.0154 -0.0177 -0.0068 292 ARG D O 10636 C CB . ARG D 225 ? 0.4601 0.5153 0.4334 -0.0132 -0.0167 -0.0064 292 ARG D CB 10637 C CG . ARG D 225 ? 0.4898 0.5497 0.4648 -0.0135 -0.0164 -0.0065 292 ARG D CG 10638 C CD . ARG D 225 ? 0.5049 0.5667 0.4827 -0.0113 -0.0159 -0.0063 292 ARG D CD 10639 N NE . ARG D 225 ? 0.5214 0.5874 0.5009 -0.0111 -0.0157 -0.0063 292 ARG D NE 10640 C CZ . ARG D 225 ? 0.5003 0.5681 0.4821 -0.0092 -0.0154 -0.0061 292 ARG D CZ 10641 N NH1 . ARG D 225 ? 0.4706 0.5364 0.4531 -0.0076 -0.0153 -0.0059 292 ARG D NH1 10642 N NH2 . ARG D 225 ? 0.4530 0.5249 0.4364 -0.0089 -0.0153 -0.0060 292 ARG D NH2 10643 N N . ASP D 226 ? 0.5257 0.5796 0.4930 -0.0188 -0.0178 -0.0067 293 ASP D N 10644 C CA . ASP D 226 ? 0.4599 0.5157 0.4261 -0.0205 -0.0180 -0.0068 293 ASP D CA 10645 C C . ASP D 226 ? 0.4903 0.5522 0.4598 -0.0200 -0.0174 -0.0067 293 ASP D C 10646 O O . ASP D 226 ? 0.5460 0.6109 0.5165 -0.0207 -0.0171 -0.0067 293 ASP D O 10647 C CB . ASP D 226 ? 0.4786 0.5326 0.4413 -0.0237 -0.0186 -0.0068 293 ASP D CB 10648 C CG . ASP D 226 ? 0.5460 0.6016 0.5070 -0.0259 -0.0189 -0.0069 293 ASP D CG 10649 O OD1 . ASP D 226 ? 0.5561 0.6168 0.5194 -0.0256 -0.0185 -0.0068 293 ASP D OD1 10650 O OD2 . ASP D 226 ? 0.5741 0.6254 0.5311 -0.0279 -0.0196 -0.0070 293 ASP D OD2 10651 N N . ASN D 227 ? 0.5281 0.5916 0.4989 -0.0189 -0.0174 -0.0066 294 ASN D N 10652 C CA . ASN D 227 ? 0.6497 0.7182 0.6235 -0.0176 -0.0170 -0.0064 294 ASN D CA 10653 C C . ASN D 227 ? 0.5528 0.6262 0.5268 -0.0195 -0.0171 -0.0063 294 ASN D C 10654 O O . ASN D 227 ? 0.5631 0.6412 0.5398 -0.0184 -0.0169 -0.0061 294 ASN D O 10655 C CB . ASN D 227 ? 0.7886 0.8558 0.7625 -0.0164 -0.0172 -0.0062 294 ASN D CB 10656 C CG . ASN D 227 ? 0.8064 0.8764 0.7833 -0.0142 -0.0170 -0.0059 294 ASN D CG 10657 O OD1 . ASN D 227 ? 1.2191 1.2904 1.1980 -0.0129 -0.0166 -0.0058 294 ASN D OD1 10658 N ND2 . ASN D 227 ? 0.6427 0.7135 0.6199 -0.0137 -0.0172 -0.0056 294 ASN D ND2 10659 N N . TRP D 228 ? 0.5047 0.5769 0.4756 -0.0223 -0.0175 -0.0064 295 TRP D N 10660 C CA . TRP D 228 ? 0.5702 0.6468 0.5409 -0.0243 -0.0178 -0.0063 295 TRP D CA 10661 C C . TRP D 228 ? 0.5536 0.6311 0.5218 -0.0276 -0.0180 -0.0064 295 TRP D C 10662 O O . TRP D 228 ? 0.6445 0.7279 0.6141 -0.0287 -0.0178 -0.0063 295 TRP D O 10663 C CB . TRP D 228 ? 0.5123 0.5869 0.4812 -0.0248 -0.0182 -0.0062 295 TRP D CB 10664 C CG . TRP D 228 ? 0.5163 0.5957 0.4855 -0.0262 -0.0184 -0.0059 295 TRP D CG 10665 C CD1 . TRP D 228 ? 0.5367 0.6158 0.5027 -0.0293 -0.0189 -0.0060 295 TRP D CD1 10666 C CD2 . TRP D 228 ? 0.5131 0.5988 0.4859 -0.0247 -0.0183 -0.0055 295 TRP D CD2 10667 N NE1 . TRP D 228 ? 0.4877 0.5728 0.4552 -0.0300 -0.0191 -0.0056 295 TRP D NE1 10668 C CE2 . TRP D 228 ? 0.5090 0.5984 0.4808 -0.0271 -0.0187 -0.0052 295 TRP D CE2 10669 C CE3 . TRP D 228 ? 0.5612 0.6495 0.5377 -0.0217 -0.0179 -0.0052 295 TRP D CE3 10670 C CZ2 . TRP D 228 ? 0.5691 0.6652 0.5439 -0.0263 -0.0187 -0.0047 295 TRP D CZ2 10671 C CZ3 . TRP D 228 ? 0.6705 0.7650 0.6498 -0.0208 -0.0179 -0.0048 295 TRP D CZ3 10672 C CH2 . TRP D 228 ? 0.6138 0.7123 0.5923 -0.0230 -0.0184 -0.0045 295 TRP D CH2 10673 N N . LYS D 229 ? 0.5568 0.6288 0.5213 -0.0294 -0.0184 -0.0065 296 LYS D N 10674 C CA . LYS D 229 ? 0.6716 0.7437 0.6330 -0.0331 -0.0188 -0.0065 296 LYS D CA 10675 C C . LYS D 229 ? 0.6372 0.7065 0.5970 -0.0341 -0.0188 -0.0066 296 LYS D C 10676 O O . LYS D 229 ? 0.6265 0.6974 0.5844 -0.0372 -0.0190 -0.0065 296 LYS D O 10677 C CB . LYS D 229 ? 0.7846 0.8526 0.7417 -0.0355 -0.0195 -0.0066 296 LYS D CB 10678 C CG . LYS D 229 ? 1.0113 1.0825 0.9694 -0.0353 -0.0196 -0.0065 296 LYS D CG 10679 C CD . LYS D 229 ? 1.2396 1.3101 1.1936 -0.0392 -0.0202 -0.0065 296 LYS D CD 10680 C CE . LYS D 229 ? 1.3040 1.3657 1.2533 -0.0399 -0.0208 -0.0069 296 LYS D CE 10681 N NZ . LYS D 229 ? 1.4245 1.4843 1.3689 -0.0442 -0.0215 -0.0069 296 LYS D NZ 10682 N N . GLY D 230 ? 0.5938 0.6594 0.5545 -0.0317 -0.0187 -0.0066 297 GLY D N 10683 C CA . GLY D 230 ? 0.5630 0.6254 0.5219 -0.0327 -0.0189 -0.0066 297 GLY D CA 10684 C C . GLY D 230 ? 0.5264 0.5907 0.4885 -0.0305 -0.0181 -0.0067 297 GLY D C 10685 O O . GLY D 230 ? 0.5268 0.5911 0.4917 -0.0273 -0.0177 -0.0067 297 GLY D O 10686 N N . SER D 231 ? 0.4798 0.5463 0.4417 -0.0322 -0.0179 -0.0067 298 SER D N 10687 C CA . SER D 231 ? 0.4788 0.5457 0.4427 -0.0305 -0.0174 -0.0069 298 SER D CA 10688 C C . SER D 231 ? 0.5204 0.5809 0.4816 -0.0309 -0.0180 -0.0065 298 SER D C 10689 O O . SER D 231 ? 0.5384 0.5982 0.5006 -0.0297 -0.0177 -0.0065 298 SER D O 10690 C CB . SER D 231 ? 0.5202 0.5933 0.4855 -0.0319 -0.0167 -0.0072 298 SER D CB 10691 O OG . SER D 231 ? 0.4664 0.5399 0.4284 -0.0358 -0.0172 -0.0070 298 SER D OG 10692 N N . ASN D 232 ? 0.4945 0.5501 0.4518 -0.0327 -0.0190 -0.0062 299 ASN D N 10693 C CA . ASN D 232 ? 0.4709 0.5199 0.4256 -0.0324 -0.0198 -0.0058 299 ASN D CA 10694 C C . ASN D 232 ? 0.5542 0.6004 0.5103 -0.0291 -0.0197 -0.0060 299 ASN D C 10695 O O . ASN D 232 ? 0.5602 0.6080 0.5174 -0.0282 -0.0195 -0.0062 299 ASN D O 10696 C CB . ASN D 232 ? 0.4863 0.5306 0.4359 -0.0357 -0.0209 -0.0055 299 ASN D CB 10697 C CG . ASN D 232 ? 0.5061 0.5499 0.4537 -0.0371 -0.0213 -0.0056 299 ASN D CG 10698 O OD1 . ASN D 232 ? 0.5032 0.5518 0.4532 -0.0366 -0.0206 -0.0060 299 ASN D OD1 10699 N ND2 . ASN D 232 ? 0.4573 0.4949 0.4001 -0.0392 -0.0224 -0.0054 299 ASN D ND2 10700 N N . ARG D 233 ? 0.4724 0.5149 0.4285 -0.0273 -0.0200 -0.0057 300 ARG D N 10701 C CA . ARG D 233 ? 0.4683 0.5094 0.4262 -0.0241 -0.0198 -0.0059 300 ARG D CA 10702 C C . ARG D 233 ? 0.5013 0.5366 0.4561 -0.0238 -0.0207 -0.0059 300 ARG D C 10703 O O . ARG D 233 ? 0.5086 0.5392 0.4600 -0.0251 -0.0216 -0.0056 300 ARG D O 10704 C CB . ARG D 233 ? 0.4576 0.4984 0.4174 -0.0222 -0.0195 -0.0057 300 ARG D CB 10705 C CG . ARG D 233 ? 0.4486 0.4947 0.4119 -0.0216 -0.0185 -0.0059 300 ARG D CG 10706 C CD . ARG D 233 ? 0.4431 0.4888 0.4083 -0.0193 -0.0182 -0.0057 300 ARG D CD 10707 N NE . ARG D 233 ? 0.4147 0.4650 0.3829 -0.0187 -0.0172 -0.0061 300 ARG D NE 10708 C CZ . ARG D 233 ? 0.4567 0.5100 0.4274 -0.0171 -0.0166 -0.0063 300 ARG D CZ 10709 N NH1 . ARG D 233 ? 0.5127 0.5652 0.4835 -0.0161 -0.0168 -0.0063 300 ARG D NH1 10710 N NH2 . ARG D 233 ? 0.4425 0.4993 0.4156 -0.0164 -0.0158 -0.0066 300 ARG D NH2 10711 N N . PRO D 234 ? 0.4790 0.5146 0.4348 -0.0222 -0.0204 -0.0063 301 PRO D N 10712 C CA . PRO D 234 ? 0.5353 0.5656 0.4885 -0.0213 -0.0211 -0.0066 301 PRO D CA 10713 C C . PRO D 234 ? 0.5242 0.5510 0.4775 -0.0190 -0.0214 -0.0064 301 PRO D C 10714 O O . PRO D 234 ? 0.5505 0.5797 0.5066 -0.0174 -0.0209 -0.0062 301 PRO D O 10715 C CB . PRO D 234 ? 0.5074 0.5400 0.4624 -0.0199 -0.0205 -0.0071 301 PRO D CB 10716 C CG . PRO D 234 ? 0.5866 0.6253 0.5445 -0.0205 -0.0198 -0.0069 301 PRO D CG 10717 C CD . PRO D 234 ? 0.5475 0.5882 0.5068 -0.0210 -0.0196 -0.0065 301 PRO D CD 10718 N N . VAL D 235 ? 0.5796 0.6007 0.5295 -0.0188 -0.0223 -0.0065 302 VAL D N 10719 C CA . VAL D 235 ? 0.5768 0.5946 0.5266 -0.0164 -0.0228 -0.0064 302 VAL D CA 10720 C C . VAL D 235 ? 0.5495 0.5642 0.4980 -0.0146 -0.0229 -0.0072 302 VAL D C 10721 O O . VAL D 235 ? 0.5992 0.6105 0.5444 -0.0159 -0.0234 -0.0076 302 VAL D O 10722 C CB . VAL D 235 ? 0.5491 0.5623 0.4956 -0.0178 -0.0239 -0.0058 302 VAL D CB 10723 C CG1 . VAL D 235 ? 0.6183 0.6286 0.5650 -0.0150 -0.0244 -0.0055 302 VAL D CG1 10724 C CG2 . VAL D 235 ? 0.6979 0.7144 0.6454 -0.0199 -0.0236 -0.0051 302 VAL D CG2 10725 N N . ILE D 236 ? 0.5171 0.5330 0.4680 -0.0116 -0.0225 -0.0074 303 ILE D N 10726 C CA . ILE D 236 ? 0.4667 0.4799 0.4166 -0.0095 -0.0226 -0.0083 303 ILE D CA 10727 C C . ILE D 236 ? 0.5175 0.5277 0.4670 -0.0069 -0.0232 -0.0082 303 ILE D C 10728 O O . ILE D 236 ? 0.5612 0.5740 0.5134 -0.0057 -0.0230 -0.0077 303 ILE D O 10729 C CB . ILE D 236 ? 0.3988 0.4168 0.3520 -0.0081 -0.0216 -0.0088 303 ILE D CB 10730 C CG1 . ILE D 236 ? 0.4469 0.4679 0.4003 -0.0106 -0.0211 -0.0087 303 ILE D CG1 10731 C CG2 . ILE D 236 ? 0.4356 0.4513 0.3875 -0.0063 -0.0215 -0.0098 303 ILE D CG2 10732 C CD1 . ILE D 236 ? 0.4839 0.5103 0.4409 -0.0095 -0.0201 -0.0089 303 ILE D CD1 10733 N N . ASP D 237 ? 0.5966 0.6012 0.5427 -0.0060 -0.0240 -0.0088 304 ASP D N 10734 C CA . ASP D 237 ? 0.5912 0.5928 0.5370 -0.0030 -0.0246 -0.0089 304 ASP D CA 10735 C C . ASP D 237 ? 0.6364 0.6385 0.5829 -0.0003 -0.0240 -0.0102 304 ASP D C 10736 O O . ASP D 237 ? 0.6074 0.6075 0.5517 -0.0008 -0.0238 -0.0112 304 ASP D O 10737 C CB . ASP D 237 ? 0.6711 0.6655 0.6122 -0.0035 -0.0260 -0.0087 304 ASP D CB 10738 C CG . ASP D 237 ? 0.7411 0.7350 0.6818 -0.0054 -0.0268 -0.0073 304 ASP D CG 10739 O OD1 . ASP D 237 ? 0.8848 0.8832 0.8288 -0.0050 -0.0263 -0.0066 304 ASP D OD1 10740 O OD2 . ASP D 237 ? 0.7463 0.7351 0.6829 -0.0076 -0.0278 -0.0069 304 ASP D OD2 10741 N N . ILE D 238 ? 0.5727 0.5774 0.5220 0.0025 -0.0238 -0.0102 305 ILE D N 10742 C CA . ILE D 238 ? 0.5892 0.5961 0.5400 0.0050 -0.0231 -0.0113 305 ILE D CA 10743 C C . ILE D 238 ? 0.5838 0.5880 0.5339 0.0083 -0.0237 -0.0116 305 ILE D C 10744 O O . ILE D 238 ? 0.5780 0.5839 0.5300 0.0095 -0.0241 -0.0108 305 ILE D O 10745 C CB . ILE D 238 ? 0.5737 0.5878 0.5290 0.0054 -0.0220 -0.0110 305 ILE D CB 10746 C CG1 . ILE D 238 ? 0.5458 0.5627 0.5019 0.0024 -0.0214 -0.0106 305 ILE D CG1 10747 C CG2 . ILE D 238 ? 0.5672 0.5839 0.5239 0.0078 -0.0212 -0.0121 305 ILE D CG2 10748 C CD1 . ILE D 238 ? 0.5244 0.5474 0.4845 0.0026 -0.0204 -0.0102 305 ILE D CD1 10749 N N . ASN D 239 ? 0.6142 0.6144 0.5617 0.0098 -0.0239 -0.0129 306 ASN D N 10750 C CA . ASN D 239 ? 0.6837 0.6811 0.6303 0.0134 -0.0246 -0.0135 306 ASN D CA 10751 C C . ASN D 239 ? 0.6928 0.6961 0.6430 0.0162 -0.0235 -0.0143 306 ASN D C 10752 O O . ASN D 239 ? 0.6936 0.6985 0.6439 0.0164 -0.0226 -0.0156 306 ASN D O 10753 C CB . ASN D 239 ? 0.7022 0.6923 0.6440 0.0140 -0.0252 -0.0147 306 ASN D CB 10754 C CG . ASN D 239 ? 0.7055 0.6919 0.6461 0.0179 -0.0261 -0.0153 306 ASN D CG 10755 O OD1 . ASN D 239 ? 0.7383 0.7287 0.6817 0.0211 -0.0255 -0.0159 306 ASN D OD1 10756 N ND2 . ASN D 239 ? 0.6110 0.5898 0.5474 0.0177 -0.0275 -0.0149 306 ASN D ND2 10757 N N . MET D 240 ? 0.6521 0.6588 0.6051 0.0182 -0.0237 -0.0136 307 MET D N 10758 C CA . MET D 240 ? 0.6731 0.6863 0.6297 0.0202 -0.0227 -0.0142 307 MET D CA 10759 C C . MET D 240 ? 0.7341 0.7464 0.6900 0.0239 -0.0226 -0.0158 307 MET D C 10760 O O . MET D 240 ? 0.6749 0.6926 0.6334 0.0255 -0.0217 -0.0165 307 MET D O 10761 C CB . MET D 240 ? 0.6389 0.6567 0.5988 0.0205 -0.0228 -0.0128 307 MET D CB 10762 C CG . MET D 240 ? 0.7261 0.7459 0.6871 0.0171 -0.0226 -0.0114 307 MET D CG 10763 S SD . MET D 240 ? 0.7018 0.7272 0.6651 0.0150 -0.0211 -0.0118 307 MET D SD 10764 C CE . MET D 240 ? 0.7643 0.7971 0.7317 0.0169 -0.0204 -0.0116 307 MET D CE 10765 N N . ALA D 241 ? 0.7667 0.7719 0.7189 0.0253 -0.0237 -0.0163 308 ALA D N 10766 C CA . ALA D 241 ? 0.7751 0.7786 0.7264 0.0293 -0.0237 -0.0179 308 ALA D CA 10767 C C . ALA D 241 ? 0.7220 0.7233 0.6709 0.0290 -0.0229 -0.0198 308 ALA D C 10768 O O . ALA D 241 ? 0.8186 0.8229 0.7686 0.0315 -0.0221 -0.0214 308 ALA D O 10769 C CB . ALA D 241 ? 0.6267 0.6229 0.5748 0.0312 -0.0255 -0.0175 308 ALA D CB 10770 N N . ASP D 242 ? 0.7356 0.7320 0.6812 0.0259 -0.0232 -0.0198 309 ASP D N 10771 C CA . ASP D 242 ? 0.6879 0.6817 0.6307 0.0252 -0.0225 -0.0215 309 ASP D CA 10772 C C . ASP D 242 ? 0.6623 0.6592 0.6057 0.0212 -0.0216 -0.0212 309 ASP D C 10773 O O . ASP D 242 ? 0.5855 0.5802 0.5264 0.0199 -0.0212 -0.0224 309 ASP D O 10774 C CB . ASP D 242 ? 0.7352 0.7191 0.6724 0.0255 -0.0237 -0.0222 309 ASP D CB 10775 C CG . ASP D 242 ? 0.8713 0.8505 0.8057 0.0215 -0.0247 -0.0206 309 ASP D CG 10776 O OD1 . ASP D 242 ? 0.9640 0.9476 0.9008 0.0185 -0.0244 -0.0192 309 ASP D OD1 10777 O OD2 . ASP D 242 ? 0.9376 0.9086 0.8672 0.0212 -0.0259 -0.0208 309 ASP D OD2 10778 N N . TYR D 243 ? 0.6598 0.6616 0.6065 0.0191 -0.0214 -0.0195 310 TYR D N 10779 C CA . TYR D 243 ? 0.6973 0.7030 0.6453 0.0157 -0.0206 -0.0190 310 TYR D CA 10780 C C . TYR D 243 ? 0.6274 0.6285 0.5719 0.0122 -0.0211 -0.0187 310 TYR D C 10781 O O . TYR D 243 ? 0.6462 0.6502 0.5913 0.0098 -0.0204 -0.0186 310 TYR D O 10782 C CB . TYR D 243 ? 0.7111 0.7213 0.6604 0.0163 -0.0193 -0.0204 310 TYR D CB 10783 C CG . TYR D 243 ? 0.6422 0.6579 0.5950 0.0193 -0.0187 -0.0208 310 TYR D CG 10784 C CD1 . TYR D 243 ? 0.6789 0.6986 0.6350 0.0198 -0.0189 -0.0193 310 TYR D CD1 10785 C CD2 . TYR D 243 ? 0.7471 0.7644 0.6998 0.0214 -0.0179 -0.0226 310 TYR D CD2 10786 C CE1 . TYR D 243 ? 0.7127 0.7380 0.6719 0.0222 -0.0183 -0.0196 310 TYR D CE1 10787 C CE2 . TYR D 243 ? 0.7634 0.7866 0.7193 0.0239 -0.0173 -0.0230 310 TYR D CE2 10788 C CZ . TYR D 243 ? 0.7902 0.8174 0.7493 0.0242 -0.0175 -0.0214 310 TYR D CZ 10789 O OH . TYR D 243 ? 0.7899 0.8229 0.7519 0.0265 -0.0170 -0.0217 310 TYR D OH 10790 N N . SER D 244 ? 0.5982 0.5925 0.5391 0.0120 -0.0223 -0.0184 311 SER D N 10791 C CA . SER D 244 ? 0.6204 0.6104 0.5577 0.0083 -0.0228 -0.0180 311 SER D CA 10792 C C . SER D 244 ? 0.5980 0.5904 0.5370 0.0056 -0.0231 -0.0162 311 SER D C 10793 O O . SER D 244 ? 0.5233 0.5184 0.4651 0.0067 -0.0233 -0.0151 311 SER D O 10794 C CB . SER D 244 ? 0.6168 0.5976 0.5486 0.0088 -0.0241 -0.0186 311 SER D CB 10795 O OG . SER D 244 ? 0.6582 0.6368 0.5903 0.0107 -0.0251 -0.0177 311 SER D OG 10796 N N . ILE D 245 ? 0.6106 0.6022 0.5477 0.0021 -0.0232 -0.0158 312 ILE D N 10797 C CA . ILE D 245 ? 0.6511 0.6465 0.5902 -0.0006 -0.0231 -0.0144 312 ILE D CA 10798 C C . ILE D 245 ? 0.6407 0.6313 0.5757 -0.0039 -0.0240 -0.0138 312 ILE D C 10799 O O . ILE D 245 ? 0.6715 0.6578 0.6026 -0.0051 -0.0243 -0.0146 312 ILE D O 10800 C CB . ILE D 245 ? 0.6457 0.6474 0.5875 -0.0021 -0.0220 -0.0145 312 ILE D CB 10801 C CG1 . ILE D 245 ? 0.6635 0.6699 0.6088 0.0006 -0.0210 -0.0152 312 ILE D CG1 10802 C CG2 . ILE D 245 ? 0.7272 0.7333 0.6716 -0.0043 -0.0218 -0.0131 312 ILE D CG2 10803 C CD1 . ILE D 245 ? 0.6225 0.6327 0.5716 0.0026 -0.0208 -0.0143 312 ILE D CD1 10804 N N . ASP D 246 ? 0.5952 0.5870 0.5310 -0.0056 -0.0245 -0.0124 313 ASP D N 10805 C CA . ASP D 246 ? 0.6133 0.6024 0.5459 -0.0093 -0.0252 -0.0118 313 ASP D CA 10806 C C . ASP D 246 ? 0.5744 0.5697 0.5104 -0.0112 -0.0247 -0.0106 313 ASP D C 10807 O O . ASP D 246 ? 0.6131 0.6131 0.5533 -0.0095 -0.0241 -0.0102 313 ASP D O 10808 C CB . ASP D 246 ? 0.6323 0.6141 0.5608 -0.0094 -0.0266 -0.0113 313 ASP D CB 10809 C CG . ASP D 246 ? 0.8023 0.7790 0.7253 -0.0134 -0.0275 -0.0112 313 ASP D CG 10810 O OD1 . ASP D 246 ? 0.8081 0.7877 0.7310 -0.0162 -0.0269 -0.0114 313 ASP D OD1 10811 O OD2 . ASP D 246 ? 0.9530 0.9227 0.8718 -0.0138 -0.0288 -0.0109 313 ASP D OD2 10812 N N . SER D 247 ? 0.5519 0.5471 0.4860 -0.0149 -0.0249 -0.0102 314 SER D N 10813 C CA . SER D 247 ? 0.5330 0.5340 0.4700 -0.0167 -0.0244 -0.0093 314 SER D CA 10814 C C . SER D 247 ? 0.5360 0.5357 0.4698 -0.0208 -0.0251 -0.0087 314 SER D C 10815 O O . SER D 247 ? 0.5425 0.5377 0.4720 -0.0227 -0.0257 -0.0090 314 SER D O 10816 C CB . SER D 247 ? 0.5241 0.5316 0.4648 -0.0165 -0.0232 -0.0096 314 SER D CB 10817 O OG . SER D 247 ? 0.5254 0.5323 0.4637 -0.0185 -0.0232 -0.0102 314 SER D OG 10818 N N . SER D 248 ? 0.5504 0.5544 0.4865 -0.0221 -0.0248 -0.0078 315 SER D N 10819 C CA . SER D 248 ? 0.6053 0.6092 0.5390 -0.0259 -0.0253 -0.0072 315 SER D CA 10820 C C . SER D 248 ? 0.5704 0.5816 0.5084 -0.0264 -0.0244 -0.0066 315 SER D C 10821 O O . SER D 248 ? 0.5497 0.5656 0.4919 -0.0243 -0.0235 -0.0069 315 SER D O 10822 C CB . SER D 248 ? 0.5983 0.5952 0.5276 -0.0268 -0.0267 -0.0066 315 SER D CB 10823 O OG . SER D 248 ? 0.6456 0.6430 0.5774 -0.0244 -0.0267 -0.0061 315 SER D OG 10824 N N . TYR D 249 ? 0.5554 0.5673 0.4922 -0.0291 -0.0248 -0.0060 316 TYR D N 10825 C CA . TYR D 249 ? 0.5199 0.5380 0.4603 -0.0295 -0.0240 -0.0056 316 TYR D CA 10826 C C . TYR D 249 ? 0.5375 0.5530 0.4766 -0.0301 -0.0247 -0.0048 316 TYR D C 10827 O O . TYR D 249 ? 0.5458 0.5557 0.4805 -0.0319 -0.0259 -0.0044 316 TYR D O 10828 C CB . TYR D 249 ? 0.5537 0.5766 0.4940 -0.0328 -0.0236 -0.0056 316 TYR D CB 10829 C CG . TYR D 249 ? 0.5854 0.6126 0.5282 -0.0320 -0.0228 -0.0062 316 TYR D CG 10830 C CD1 . TYR D 249 ? 0.5866 0.6108 0.5269 -0.0323 -0.0231 -0.0066 316 TYR D CD1 10831 C CD2 . TYR D 249 ? 0.5967 0.6306 0.5442 -0.0306 -0.0217 -0.0063 316 TYR D CD2 10832 C CE1 . TYR D 249 ? 0.5813 0.6095 0.5238 -0.0316 -0.0225 -0.0071 316 TYR D CE1 10833 C CE2 . TYR D 249 ? 0.6615 0.6991 0.6111 -0.0297 -0.0211 -0.0066 316 TYR D CE2 10834 C CZ . TYR D 249 ? 0.6385 0.6733 0.5857 -0.0302 -0.0215 -0.0070 316 TYR D CZ 10835 O OH . TYR D 249 ? 0.6374 0.6762 0.5868 -0.0295 -0.0210 -0.0073 316 TYR D OH 10836 N N . VAL D 250 ? 0.5406 0.5601 0.4834 -0.0288 -0.0240 -0.0046 317 VAL D N 10837 C CA . VAL D 250 ? 0.5357 0.5546 0.4779 -0.0297 -0.0244 -0.0039 317 VAL D CA 10838 C C . VAL D 250 ? 0.6032 0.6218 0.5419 -0.0341 -0.0250 -0.0035 317 VAL D C 10839 O O . VAL D 250 ? 0.5410 0.5644 0.4805 -0.0361 -0.0243 -0.0038 317 VAL D O 10840 C CB . VAL D 250 ? 0.5689 0.5936 0.5158 -0.0283 -0.0232 -0.0040 317 VAL D CB 10841 C CG1 . VAL D 250 ? 0.6078 0.6321 0.5539 -0.0296 -0.0236 -0.0033 317 VAL D CG1 10842 C CG2 . VAL D 250 ? 0.5188 0.5437 0.4688 -0.0244 -0.0228 -0.0043 317 VAL D CG2 10843 N N . CYS D 251 ? 0.5863 0.5994 0.5212 -0.0354 -0.0262 -0.0027 318 CYS D N 10844 C CA . CYS D 251 ? 0.6486 0.6600 0.5791 -0.0398 -0.0271 -0.0022 318 CYS D CA 10845 C C . CYS D 251 ? 0.5792 0.5968 0.5113 -0.0423 -0.0264 -0.0020 318 CYS D C 10846 O O . CYS D 251 ? 0.6299 0.6496 0.5601 -0.0458 -0.0264 -0.0020 318 CYS D O 10847 C CB . CYS D 251 ? 0.7378 0.7412 0.6637 -0.0404 -0.0288 -0.0012 318 CYS D CB 10848 S SG . CYS D 251 ? 0.8345 0.8294 0.7563 -0.0391 -0.0300 -0.0015 318 CYS D SG 10849 N N . SER D 252 ? 0.5580 0.5785 0.4936 -0.0404 -0.0257 -0.0020 319 SER D N 10850 C CA . SER D 252 ? 0.6031 0.6294 0.5404 -0.0422 -0.0249 -0.0020 319 SER D CA 10851 C C . SER D 252 ? 0.5997 0.6324 0.5382 -0.0443 -0.0239 -0.0027 319 SER D C 10852 O O . SER D 252 ? 0.5781 0.6141 0.5194 -0.0425 -0.0230 -0.0034 319 SER D O 10853 C CB . SER D 252 ? 0.5859 0.6154 0.5278 -0.0390 -0.0238 -0.0023 319 SER D CB 10854 O OG . SER D 252 ? 0.6036 0.6387 0.5470 -0.0406 -0.0229 -0.0026 319 SER D OG 10855 N N . GLY D 253 ? 0.5812 0.6160 0.5176 -0.0481 -0.0240 -0.0024 320 GLY D N 10856 C CA . GLY D 253 ? 0.5503 0.5923 0.4881 -0.0502 -0.0230 -0.0031 320 GLY D CA 10857 C C . GLY D 253 ? 0.5692 0.6182 0.5121 -0.0481 -0.0214 -0.0039 320 GLY D C 10858 O O . GLY D 253 ? 0.6052 0.6608 0.5504 -0.0485 -0.0204 -0.0046 320 GLY D O 10859 N N . LEU D 254 ? 0.5621 0.6097 0.5066 -0.0459 -0.0212 -0.0038 321 LEU D N 10860 C CA . LEU D 254 ? 0.5257 0.5786 0.4751 -0.0431 -0.0197 -0.0047 321 LEU D CA 10861 C C . LEU D 254 ? 0.5246 0.5763 0.4768 -0.0392 -0.0194 -0.0049 321 LEU D C 10862 O O . LEU D 254 ? 0.4944 0.5411 0.4460 -0.0372 -0.0201 -0.0044 321 LEU D O 10863 C CB . LEU D 254 ? 0.5277 0.5799 0.4774 -0.0429 -0.0196 -0.0044 321 LEU D CB 10864 C CG . LEU D 254 ? 0.5278 0.5811 0.4745 -0.0470 -0.0199 -0.0041 321 LEU D CG 10865 C CD1 . LEU D 254 ? 0.5532 0.6052 0.4999 -0.0467 -0.0199 -0.0038 321 LEU D CD1 10866 C CD2 . LEU D 254 ? 0.5377 0.5986 0.4860 -0.0487 -0.0187 -0.0051 321 LEU D CD2 10867 N N . VAL D 255 ? 0.4946 0.5509 0.4494 -0.0381 -0.0186 -0.0056 322 VAL D N 10868 C CA . VAL D 255 ? 0.4973 0.5521 0.4538 -0.0351 -0.0186 -0.0057 322 VAL D CA 10869 C C . VAL D 255 ? 0.4848 0.5419 0.4454 -0.0317 -0.0176 -0.0062 322 VAL D C 10870 O O . VAL D 255 ? 0.4728 0.5337 0.4352 -0.0316 -0.0167 -0.0066 322 VAL D O 10871 C CB . VAL D 255 ? 0.5235 0.5810 0.4800 -0.0360 -0.0185 -0.0060 322 VAL D CB 10872 C CG1 . VAL D 255 ? 0.5612 0.6160 0.5131 -0.0398 -0.0196 -0.0055 322 VAL D CG1 10873 C CG2 . VAL D 255 ? 0.5416 0.6068 0.5014 -0.0358 -0.0173 -0.0067 322 VAL D CG2 10874 N N . GLY D 256 ? 0.5017 0.5563 0.4635 -0.0289 -0.0177 -0.0061 323 GLY D N 10875 C CA . GLY D 256 ? 0.5197 0.5750 0.4846 -0.0258 -0.0170 -0.0063 323 GLY D CA 10876 C C . GLY D 256 ? 0.5063 0.5654 0.4745 -0.0236 -0.0161 -0.0068 323 GLY D C 10877 O O . GLY D 256 ? 0.4925 0.5521 0.4631 -0.0213 -0.0156 -0.0070 323 GLY D O 10878 N N . ASP D 257 ? 0.4767 0.5384 0.4451 -0.0243 -0.0161 -0.0070 324 ASP D N 10879 C CA . ASP D 257 ? 0.5021 0.5672 0.4735 -0.0221 -0.0155 -0.0073 324 ASP D CA 10880 C C . ASP D 257 ? 0.5453 0.6163 0.5190 -0.0220 -0.0146 -0.0079 324 ASP D C 10881 O O . ASP D 257 ? 0.5245 0.5974 0.4974 -0.0240 -0.0143 -0.0082 324 ASP D O 10882 C CB . ASP D 257 ? 0.5343 0.5994 0.5049 -0.0226 -0.0160 -0.0071 324 ASP D CB 10883 C CG . ASP D 257 ? 0.5980 0.6630 0.5707 -0.0199 -0.0159 -0.0071 324 ASP D CG 10884 O OD1 . ASP D 257 ? 0.6146 0.6805 0.5897 -0.0176 -0.0153 -0.0072 324 ASP D OD1 10885 O OD2 . ASP D 257 ? 0.5292 0.5929 0.5008 -0.0201 -0.0164 -0.0069 324 ASP D OD2 10886 N N . THR D 258 ? 0.4992 0.5729 0.4758 -0.0197 -0.0141 -0.0081 325 THR D N 10887 C CA . THR D 258 ? 0.5141 0.5932 0.4931 -0.0189 -0.0133 -0.0088 325 THR D CA 10888 C C . THR D 258 ? 0.5168 0.5988 0.4974 -0.0177 -0.0134 -0.0086 325 THR D C 10889 O O . THR D 258 ? 0.5272 0.6071 0.5086 -0.0158 -0.0137 -0.0082 325 THR D O 10890 C CB . THR D 258 ? 0.5679 0.6464 0.5488 -0.0164 -0.0126 -0.0092 325 THR D CB 10891 O OG1 . THR D 258 ? 0.6498 0.7253 0.6291 -0.0175 -0.0126 -0.0092 325 THR D OG1 10892 C CG2 . THR D 258 ? 0.6027 0.6867 0.5861 -0.0153 -0.0117 -0.0100 325 THR D CG2 10893 N N . PRO D 259 ? 0.5478 0.6351 0.5290 -0.0189 -0.0133 -0.0089 326 PRO D N 10894 C CA . PRO D 259 ? 0.4511 0.5423 0.4318 -0.0212 -0.0129 -0.0094 326 PRO D CA 10895 C C . PRO D 259 ? 0.4601 0.5488 0.4371 -0.0249 -0.0136 -0.0090 326 PRO D C 10896 O O . PRO D 259 ? 0.4615 0.5453 0.4364 -0.0254 -0.0144 -0.0084 326 PRO D O 10897 C CB . PRO D 259 ? 0.5057 0.6039 0.4887 -0.0208 -0.0126 -0.0097 326 PRO D CB 10898 C CG . PRO D 259 ? 0.5399 0.6367 0.5232 -0.0196 -0.0133 -0.0090 326 PRO D CG 10899 C CD . PRO D 259 ? 0.5230 0.6137 0.5061 -0.0176 -0.0134 -0.0086 326 PRO D CD 10900 N N . ARG D 260 ? 0.5416 0.6334 0.5177 -0.0274 -0.0133 -0.0094 327 ARG D N 10901 C CA . ARG D 260 ? 0.5362 0.6255 0.5083 -0.0312 -0.0140 -0.0090 327 ARG D CA 10902 C C . ARG D 260 ? 0.5414 0.6367 0.5132 -0.0338 -0.0135 -0.0095 327 ARG D C 10903 O O . ARG D 260 ? 0.4972 0.5978 0.4719 -0.0324 -0.0125 -0.0103 327 ARG D O 10904 C CB . ARG D 260 ? 0.5309 0.6135 0.5009 -0.0313 -0.0145 -0.0086 327 ARG D CB 10905 C CG . ARG D 260 ? 0.4959 0.5794 0.4671 -0.0304 -0.0137 -0.0091 327 ARG D CG 10906 C CD . ARG D 260 ? 0.5159 0.5932 0.4846 -0.0312 -0.0143 -0.0086 327 ARG D CD 10907 N NE . ARG D 260 ? 0.4655 0.5439 0.4353 -0.0306 -0.0135 -0.0091 327 ARG D NE 10908 C CZ . ARG D 260 ? 0.4617 0.5396 0.4339 -0.0276 -0.0128 -0.0095 327 ARG D CZ 10909 N NH1 . ARG D 260 ? 0.4653 0.5445 0.4381 -0.0276 -0.0121 -0.0101 327 ARG D NH1 10910 N NH2 . ARG D 260 ? 0.5032 0.5794 0.4770 -0.0248 -0.0129 -0.0093 327 ARG D NH2 10911 N N . ASN D 261 ? 0.5211 0.6155 0.4894 -0.0378 -0.0143 -0.0090 328 ASN D N 10912 C CA . ASN D 261 ? 0.5227 0.6224 0.4902 -0.0408 -0.0138 -0.0095 328 ASN D CA 10913 C C . ASN D 261 ? 0.5940 0.6917 0.5609 -0.0410 -0.0134 -0.0098 328 ASN D C 10914 O O . ASN D 261 ? 0.5324 0.6237 0.4985 -0.0396 -0.0139 -0.0093 328 ASN D O 10915 C CB . ASN D 261 ? 0.5331 0.6316 0.4962 -0.0454 -0.0148 -0.0088 328 ASN D CB 10916 C CG . ASN D 261 ? 0.5465 0.6484 0.5098 -0.0463 -0.0151 -0.0086 328 ASN D CG 10917 O OD1 . ASN D 261 ? 0.5868 0.6935 0.5538 -0.0437 -0.0146 -0.0090 328 ASN D OD1 10918 N ND2 . ASN D 261 ? 0.5812 0.6802 0.5402 -0.0500 -0.0162 -0.0080 328 ASN D ND2 10919 N N . ASP D 262 ? 0.5581 0.6615 0.5254 -0.0428 -0.0127 -0.0105 329 ASP D N 10920 C CA . ASP D 262 ? 0.6312 0.7331 0.5971 -0.0441 -0.0124 -0.0107 329 ASP D CA 10921 C C . ASP D 262 ? 0.5924 0.6878 0.5534 -0.0476 -0.0138 -0.0095 329 ASP D C 10922 O O . ASP D 262 ? 0.6203 0.7132 0.5785 -0.0497 -0.0148 -0.0088 329 ASP D O 10923 C CB . ASP D 262 ? 0.7206 0.8306 0.6875 -0.0459 -0.0114 -0.0117 329 ASP D CB 10924 C CG . ASP D 262 ? 0.7972 0.9104 0.7610 -0.0508 -0.0119 -0.0113 329 ASP D CG 10925 O OD1 . ASP D 262 ? 0.9337 1.0444 0.8937 -0.0545 -0.0125 -0.0108 329 ASP D OD1 10926 O OD2 . ASP D 262 ? 0.9366 1.0544 0.9015 -0.0510 -0.0119 -0.0114 329 ASP D OD2 10927 N N . ASP D 263 ? 0.5899 0.6826 0.5495 -0.0483 -0.0138 -0.0095 330 ASP D N 10928 C CA . ASP D 263 ? 0.6788 0.7642 0.6340 -0.0508 -0.0152 -0.0083 330 ASP D CA 10929 C C . ASP D 263 ? 0.6375 0.7229 0.5884 -0.0557 -0.0161 -0.0076 330 ASP D C 10930 O O . ASP D 263 ? 0.7349 0.8133 0.6817 -0.0575 -0.0176 -0.0065 330 ASP D O 10931 C CB . ASP D 263 ? 0.7170 0.8005 0.6720 -0.0505 -0.0149 -0.0083 330 ASP D CB 10932 C CG . ASP D 263 ? 0.7130 0.7934 0.6709 -0.0459 -0.0145 -0.0085 330 ASP D CG 10933 O OD1 . ASP D 263 ? 0.8182 0.8963 0.7775 -0.0433 -0.0147 -0.0083 330 ASP D OD1 10934 O OD2 . ASP D 263 ? 0.8149 0.8948 0.7734 -0.0453 -0.0140 -0.0088 330 ASP D OD2 10935 N N . SER D 264 ? 0.6391 0.7319 0.5903 -0.0582 -0.0154 -0.0083 331 SER D N 10936 C CA . SER D 264 ? 0.7459 0.8387 0.6925 -0.0634 -0.0164 -0.0075 331 SER D CA 10937 C C . SER D 264 ? 0.7348 0.8274 0.6803 -0.0644 -0.0171 -0.0072 331 SER D C 10938 O O . SER D 264 ? 0.7107 0.7998 0.6515 -0.0683 -0.0183 -0.0062 331 SER D O 10939 C CB . SER D 264 ? 0.7448 0.8454 0.6913 -0.0667 -0.0155 -0.0083 331 SER D CB 10940 O OG . SER D 264 ? 0.7545 0.8631 0.7060 -0.0639 -0.0138 -0.0097 331 SER D OG 10941 N N . SER D 265 ? 0.6940 0.7895 0.6434 -0.0609 -0.0164 -0.0077 332 SER D N 10942 C CA . SER D 265 ? 0.7133 0.8086 0.6616 -0.0618 -0.0170 -0.0073 332 SER D CA 10943 C C . SER D 265 ? 0.6750 0.7633 0.6235 -0.0585 -0.0177 -0.0069 332 SER D C 10944 O O . SER D 265 ? 0.6266 0.7150 0.5748 -0.0586 -0.0181 -0.0067 332 SER D O 10945 C CB . SER D 265 ? 0.6972 0.8027 0.6494 -0.0611 -0.0159 -0.0083 332 SER D CB 10946 O OG . SER D 265 ? 0.7739 0.8821 0.7313 -0.0562 -0.0147 -0.0091 332 SER D OG 10947 N N . SER D 266 ? 0.6844 0.7672 0.6336 -0.0556 -0.0178 -0.0067 333 SER D N 10948 C CA . SER D 266 ? 0.6726 0.7493 0.6223 -0.0523 -0.0183 -0.0064 333 SER D CA 10949 C C . SER D 266 ? 0.6241 0.6923 0.5685 -0.0545 -0.0198 -0.0054 333 SER D C 10950 O O . SER D 266 ? 0.6260 0.6917 0.5668 -0.0577 -0.0206 -0.0049 333 SER D O 10951 C CB . SER D 266 ? 0.6290 0.7040 0.5819 -0.0481 -0.0176 -0.0067 333 SER D CB 10952 O OG . SER D 266 ? 0.6886 0.7601 0.6395 -0.0492 -0.0180 -0.0063 333 SER D OG 10953 N N . SER D 267 ? 0.5581 0.6218 0.5018 -0.0529 -0.0204 -0.0052 334 SER D N 10954 C CA . SER D 267 ? 0.5682 0.6232 0.5067 -0.0546 -0.0219 -0.0045 334 SER D CA 10955 C C . SER D 267 ? 0.5563 0.6056 0.4950 -0.0512 -0.0223 -0.0044 334 SER D C 10956 O O . SER D 267 ? 0.5495 0.6018 0.4920 -0.0482 -0.0215 -0.0050 334 SER D O 10957 C CB . SER D 267 ? 0.5857 0.6411 0.5200 -0.0593 -0.0227 -0.0042 334 SER D CB 10958 O OG . SER D 267 ? 0.6063 0.6648 0.5422 -0.0585 -0.0223 -0.0046 334 SER D OG 10959 N N . SER D 268 ? 0.5757 0.6167 0.5101 -0.0519 -0.0236 -0.0038 335 SER D N 10960 C CA . SER D 268 ? 0.6369 0.6720 0.5705 -0.0493 -0.0241 -0.0039 335 SER D CA 10961 C C . SER D 268 ? 0.6424 0.6694 0.5697 -0.0520 -0.0257 -0.0033 335 SER D C 10962 O O . SER D 268 ? 0.6468 0.6706 0.5711 -0.0541 -0.0266 -0.0026 335 SER D O 10963 C CB . SER D 268 ? 0.6132 0.6462 0.5499 -0.0450 -0.0239 -0.0039 335 SER D CB 10964 O OG . SER D 268 ? 0.5122 0.5401 0.4483 -0.0423 -0.0243 -0.0041 335 SER D OG 10965 N N . ASN D 269 ? 0.6221 0.6455 0.5473 -0.0519 -0.0262 -0.0036 336 ASN D N 10966 C CA . ASN D 269 ? 0.6544 0.6689 0.5734 -0.0538 -0.0277 -0.0032 336 ASN D CA 10967 C C . ASN D 269 ? 0.6737 0.6811 0.5921 -0.0500 -0.0283 -0.0034 336 ASN D C 10968 O O . ASN D 269 ? 0.6810 0.6810 0.5945 -0.0508 -0.0294 -0.0034 336 ASN D O 10969 C CB . ASN D 269 ? 0.6513 0.6660 0.5670 -0.0572 -0.0280 -0.0034 336 ASN D CB 10970 C CG . ASN D 269 ? 0.7010 0.7164 0.6188 -0.0545 -0.0274 -0.0043 336 ASN D CG 10971 O OD1 . ASN D 269 ? 0.7127 0.7289 0.6345 -0.0503 -0.0267 -0.0047 336 ASN D OD1 10972 N ND2 . ASN D 269 ? 0.7962 0.8114 0.7110 -0.0573 -0.0277 -0.0045 336 ASN D ND2 10973 N N . CYS D 270 ? 0.7161 0.7257 0.6393 -0.0458 -0.0274 -0.0036 337 CYS D N 10974 C CA . CYS D 270 ? 0.7360 0.7400 0.6594 -0.0417 -0.0278 -0.0038 337 CYS D CA 10975 C C . CYS D 270 ? 0.6715 0.6744 0.5951 -0.0399 -0.0275 -0.0047 337 CYS D C 10976 O O . CYS D 270 ? 0.7227 0.7233 0.6478 -0.0362 -0.0274 -0.0051 337 CYS D O 10977 C CB . CYS D 270 ? 0.7709 0.7661 0.6895 -0.0420 -0.0294 -0.0032 337 CYS D CB 10978 S SG . CYS D 270 ? 1.1672 1.1627 1.0847 -0.0443 -0.0301 -0.0019 337 CYS D SG 10979 N N . ARG D 271 ? 0.7291 0.7342 0.6515 -0.0424 -0.0273 -0.0051 338 ARG D N 10980 C CA . ARG D 271 ? 0.7526 0.7550 0.6737 -0.0414 -0.0272 -0.0059 338 ARG D CA 10981 C C . ARG D 271 ? 0.7211 0.7312 0.6463 -0.0410 -0.0260 -0.0064 338 ARG D C 10982 O O . ARG D 271 ? 0.7417 0.7519 0.6687 -0.0383 -0.0255 -0.0071 338 ARG D O 10983 C CB . ARG D 271 ? 0.8621 0.8580 0.7764 -0.0451 -0.0285 -0.0059 338 ARG D CB 10984 C CG . ARG D 271 ? 1.0826 1.0730 0.9944 -0.0435 -0.0287 -0.0068 338 ARG D CG 10985 C CD . ARG D 271 ? 1.2401 1.2245 1.1451 -0.0474 -0.0298 -0.0069 338 ARG D CD 10986 N NE . ARG D 271 ? 1.3304 1.3210 1.2355 -0.0512 -0.0293 -0.0069 338 ARG D NE 10987 C CZ . ARG D 271 ? 1.2699 1.2595 1.1704 -0.0562 -0.0301 -0.0064 338 ARG D CZ 10988 N NH1 . ARG D 271 ? 1.3558 1.3377 1.2507 -0.0584 -0.0315 -0.0058 338 ARG D NH1 10989 N NH2 . ARG D 271 ? 1.0971 1.0937 0.9987 -0.0591 -0.0295 -0.0064 338 ARG D NH2 10990 N N . ASP D 272 ? 0.6568 0.6734 0.5834 -0.0436 -0.0255 -0.0061 339 ASP D N 10991 C CA . ASP D 272 ? 0.6224 0.6462 0.5524 -0.0436 -0.0245 -0.0064 339 ASP D CA 10992 C C . ASP D 272 ? 0.6608 0.6927 0.5965 -0.0422 -0.0235 -0.0062 339 ASP D C 10993 O O . ASP D 272 ? 0.6513 0.6840 0.5874 -0.0427 -0.0235 -0.0058 339 ASP D O 10994 C CB . ASP D 272 ? 0.6739 0.6992 0.6005 -0.0481 -0.0250 -0.0064 339 ASP D CB 10995 C CG . ASP D 272 ? 0.7785 0.7951 0.6986 -0.0501 -0.0261 -0.0065 339 ASP D CG 10996 O OD1 . ASP D 272 ? 0.8107 0.8231 0.7301 -0.0478 -0.0262 -0.0072 339 ASP D OD1 10997 O OD2 . ASP D 272 ? 0.8167 0.8306 0.7323 -0.0541 -0.0270 -0.0061 339 ASP D OD2 10998 N N . PRO D 273 ? 0.5924 0.6299 0.5320 -0.0405 -0.0226 -0.0065 340 PRO D N 10999 C CA . PRO D 273 ? 0.5773 0.6221 0.5216 -0.0395 -0.0217 -0.0064 340 PRO D CA 11000 C C . PRO D 273 ? 0.6056 0.6543 0.5484 -0.0434 -0.0218 -0.0061 340 PRO D C 11001 O O . PRO D 273 ? 0.6392 0.6876 0.5788 -0.0466 -0.0223 -0.0061 340 PRO D O 11002 C CB . PRO D 273 ? 0.6256 0.6752 0.5732 -0.0378 -0.0210 -0.0067 340 PRO D CB 11003 C CG . PRO D 273 ? 0.5630 0.6090 0.5072 -0.0391 -0.0216 -0.0069 340 PRO D CG 11004 C CD . PRO D 273 ? 0.5374 0.5750 0.4770 -0.0398 -0.0225 -0.0070 340 PRO D CD 11005 N N . ASN D 274 ? 0.6027 0.6556 0.5481 -0.0433 -0.0213 -0.0060 341 ASN D N 11006 C CA . ASN D 274 ? 0.5946 0.6514 0.5386 -0.0469 -0.0213 -0.0058 341 ASN D CA 11007 C C . ASN D 274 ? 0.5927 0.6582 0.5394 -0.0480 -0.0207 -0.0060 341 ASN D C 11008 O O . ASN D 274 ? 0.6052 0.6747 0.5507 -0.0512 -0.0207 -0.0059 341 ASN D O 11009 C CB . ASN D 274 ? 0.5631 0.6206 0.5084 -0.0465 -0.0210 -0.0057 341 ASN D CB 11010 C CG . ASN D 274 ? 0.5346 0.5970 0.4856 -0.0427 -0.0198 -0.0061 341 ASN D CG 11011 O OD1 . ASN D 274 ? 0.5941 0.6604 0.5484 -0.0405 -0.0192 -0.0063 341 ASN D OD1 11012 N ND2 . ASN D 274 ? 0.5457 0.6077 0.4976 -0.0420 -0.0195 -0.0060 341 ASN D ND2 11013 N N . ASN D 275 ? 0.5794 0.6482 0.5296 -0.0452 -0.0201 -0.0062 342 ASN D N 11014 C CA . ASN D 275 ? 0.6230 0.7004 0.5762 -0.0455 -0.0195 -0.0063 342 ASN D CA 11015 C C . ASN D 275 ? 0.5951 0.6796 0.5516 -0.0453 -0.0187 -0.0065 342 ASN D C 11016 O O . ASN D 275 ? 0.6090 0.7006 0.5665 -0.0470 -0.0185 -0.0066 342 ASN D O 11017 C CB . ASN D 275 ? 0.6787 0.7574 0.6284 -0.0496 -0.0202 -0.0061 342 ASN D CB 11018 C CG . ASN D 275 ? 0.8027 0.8764 0.7504 -0.0492 -0.0207 -0.0061 342 ASN D CG 11019 O OD1 . ASN D 275 ? 0.9382 1.0138 0.8889 -0.0464 -0.0204 -0.0062 342 ASN D OD1 11020 N ND2 . ASN D 275 ? 0.8315 0.8983 0.7737 -0.0519 -0.0216 -0.0060 342 ASN D ND2 11021 N N . GLU D 276 ? 0.6433 0.7260 0.6013 -0.0431 -0.0183 -0.0067 343 GLU D N 11022 C CA . GLU D 276 ? 0.5822 0.6711 0.5433 -0.0426 -0.0174 -0.0071 343 GLU D CA 11023 C C . GLU D 276 ? 0.5526 0.6425 0.5182 -0.0379 -0.0166 -0.0074 343 GLU D C 11024 O O . GLU D 276 ? 0.6142 0.6992 0.5800 -0.0358 -0.0166 -0.0074 343 GLU D O 11025 C CB . GLU D 276 ? 0.6005 0.6861 0.5589 -0.0446 -0.0176 -0.0070 343 GLU D CB 11026 C CG . GLU D 276 ? 0.6140 0.6975 0.5673 -0.0495 -0.0185 -0.0066 343 GLU D CG 11027 C CD . GLU D 276 ? 0.7084 0.7861 0.6583 -0.0512 -0.0190 -0.0063 343 GLU D CD 11028 O OE1 . GLU D 276 ? 0.7274 0.8034 0.6791 -0.0488 -0.0187 -0.0064 343 GLU D OE1 11029 O OE2 . GLU D 276 ? 0.7965 0.8710 0.7417 -0.0552 -0.0200 -0.0058 343 GLU D OE2 11030 N N . ARG D 277 ? 0.5350 0.6313 0.5041 -0.0363 -0.0161 -0.0076 344 ARG D N 11031 C CA . ARG D 277 ? 0.5632 0.6614 0.5365 -0.0320 -0.0154 -0.0079 344 ARG D CA 11032 C C . ARG D 277 ? 0.5979 0.6895 0.5712 -0.0295 -0.0157 -0.0076 344 ARG D C 11033 O O . ARG D 277 ? 0.6231 0.7121 0.5976 -0.0271 -0.0153 -0.0078 344 ARG D O 11034 C CB . ARG D 277 ? 0.5737 0.6744 0.5487 -0.0313 -0.0145 -0.0085 344 ARG D CB 11035 C CG . ARG D 277 ? 0.5812 0.6895 0.5567 -0.0335 -0.0141 -0.0090 344 ARG D CG 11036 C CD . ARG D 277 ? 0.5972 0.7085 0.5747 -0.0324 -0.0131 -0.0098 344 ARG D CD 11037 N NE . ARG D 277 ? 0.5608 0.6758 0.5426 -0.0284 -0.0124 -0.0103 344 ARG D NE 11038 C CZ . ARG D 277 ? 0.5903 0.7062 0.5741 -0.0262 -0.0115 -0.0111 344 ARG D CZ 11039 N NH1 . ARG D 277 ? 0.5929 0.7064 0.5751 -0.0275 -0.0112 -0.0115 344 ARG D NH1 11040 N NH2 . ARG D 277 ? 0.5712 0.6899 0.5585 -0.0224 -0.0109 -0.0115 344 ARG D NH2 11041 N N . GLY D 278 ? 0.5600 0.6491 0.5315 -0.0302 -0.0164 -0.0072 345 GLY D N 11042 C CA . GLY D 278 ? 0.6176 0.7001 0.5881 -0.0285 -0.0168 -0.0070 345 GLY D CA 11043 C C . GLY D 278 ? 0.5996 0.6827 0.5735 -0.0248 -0.0164 -0.0069 345 GLY D C 11044 O O . GLY D 278 ? 0.5412 0.6193 0.5147 -0.0231 -0.0165 -0.0068 345 GLY D O 11045 N N . ASN D 279 ? 0.5790 0.6679 0.5560 -0.0234 -0.0160 -0.0069 346 ASN D N 11046 C CA . ASN D 279 ? 0.5642 0.6531 0.5439 -0.0200 -0.0158 -0.0067 346 ASN D CA 11047 C C . ASN D 279 ? 0.5123 0.6043 0.4951 -0.0176 -0.0151 -0.0071 346 ASN D C 11048 O O . ASN D 279 ? 0.5180 0.6144 0.5016 -0.0185 -0.0147 -0.0075 346 ASN D O 11049 C CB . ASN D 279 ? 0.6529 0.7444 0.6332 -0.0199 -0.0163 -0.0063 346 ASN D CB 11050 C CG . ASN D 279 ? 0.6969 0.7957 0.6802 -0.0190 -0.0160 -0.0062 346 ASN D CG 11051 O OD1 . ASN D 279 ? 0.8020 0.9027 0.7880 -0.0162 -0.0160 -0.0059 346 ASN D OD1 11052 N ND2 . ASN D 279 ? 0.5660 0.6691 0.5488 -0.0214 -0.0159 -0.0065 346 ASN D ND2 11053 N N . PRO D 280 ? 0.5178 0.6074 0.5022 -0.0148 -0.0149 -0.0070 347 PRO D N 11054 C CA . PRO D 280 ? 0.5200 0.6048 0.5037 -0.0137 -0.0153 -0.0066 347 PRO D CA 11055 C C . PRO D 280 ? 0.5616 0.6406 0.5432 -0.0141 -0.0153 -0.0067 347 PRO D C 11056 O O . PRO D 280 ? 0.4930 0.5682 0.4738 -0.0133 -0.0156 -0.0064 347 PRO D O 11057 C CB . PRO D 280 ? 0.5006 0.5863 0.4870 -0.0106 -0.0151 -0.0064 347 PRO D CB 11058 C CG . PRO D 280 ? 0.5542 0.6421 0.5419 -0.0100 -0.0144 -0.0071 347 PRO D CG 11059 C CD . PRO D 280 ? 0.5039 0.5958 0.4910 -0.0124 -0.0143 -0.0074 347 PRO D CD 11060 N N . GLY D 281 ? 0.5429 0.6216 0.5239 -0.0151 -0.0150 -0.0071 348 GLY D N 11061 C CA . GLY D 281 ? 0.5285 0.6022 0.5079 -0.0152 -0.0151 -0.0071 348 GLY D CA 11062 C C . GLY D 281 ? 0.4688 0.5408 0.4498 -0.0127 -0.0147 -0.0071 348 GLY D C 11063 O O . GLY D 281 ? 0.4659 0.5401 0.4492 -0.0108 -0.0144 -0.0071 348 GLY D O 11064 N N . VAL D 282 ? 0.4416 0.5097 0.4213 -0.0129 -0.0148 -0.0071 349 VAL D N 11065 C CA . VAL D 282 ? 0.4149 0.4811 0.3956 -0.0110 -0.0145 -0.0070 349 VAL D CA 11066 C C . VAL D 282 ? 0.4358 0.4975 0.4147 -0.0112 -0.0149 -0.0067 349 VAL D C 11067 O O . VAL D 282 ? 0.4496 0.5094 0.4264 -0.0129 -0.0154 -0.0067 349 VAL D O 11068 C CB . VAL D 282 ? 0.4388 0.5066 0.4205 -0.0109 -0.0138 -0.0075 349 VAL D CB 11069 C CG1 . VAL D 282 ? 0.4089 0.4752 0.3886 -0.0129 -0.0139 -0.0076 349 VAL D CG1 11070 C CG2 . VAL D 282 ? 0.4509 0.5171 0.4337 -0.0089 -0.0135 -0.0075 349 VAL D CG2 11071 N N . LYS D 283 ? 0.4064 0.4664 0.3861 -0.0096 -0.0149 -0.0065 350 LYS D N 11072 C CA . LYS D 283 ? 0.4598 0.5162 0.4380 -0.0095 -0.0153 -0.0063 350 LYS D CA 11073 C C . LYS D 283 ? 0.4406 0.4958 0.4179 -0.0104 -0.0153 -0.0063 350 LYS D C 11074 O O . LYS D 283 ? 0.4371 0.4936 0.4155 -0.0102 -0.0147 -0.0065 350 LYS D O 11075 C CB . LYS D 283 ? 0.4314 0.4869 0.4106 -0.0077 -0.0153 -0.0060 350 LYS D CB 11076 C CG . LYS D 283 ? 0.4862 0.5389 0.4644 -0.0074 -0.0156 -0.0058 350 LYS D CG 11077 C CD . LYS D 283 ? 0.4947 0.5472 0.4739 -0.0060 -0.0155 -0.0055 350 LYS D CD 11078 C CE . LYS D 283 ? 0.4777 0.5281 0.4560 -0.0056 -0.0158 -0.0053 350 LYS D CE 11079 N NZ . LYS D 283 ? 0.5047 0.5536 0.4817 -0.0055 -0.0163 -0.0054 350 LYS D NZ 11080 N N . GLY D 284 ? 0.4336 0.4860 0.4089 -0.0115 -0.0159 -0.0061 351 GLY D N 11081 C CA . GLY D 284 ? 0.4408 0.4916 0.4149 -0.0124 -0.0161 -0.0059 351 GLY D CA 11082 C C . GLY D 284 ? 0.4480 0.4950 0.4201 -0.0124 -0.0169 -0.0055 351 GLY D C 11083 O O . GLY D 284 ? 0.4523 0.4980 0.4242 -0.0113 -0.0172 -0.0055 351 GLY D O 11084 N N . TRP D 285 ? 0.4869 0.5321 0.4574 -0.0136 -0.0173 -0.0052 352 TRP D N 11085 C CA . TRP D 285 ? 0.4649 0.5065 0.4336 -0.0134 -0.0182 -0.0048 352 TRP D CA 11086 C C . TRP D 285 ? 0.4761 0.5155 0.4421 -0.0156 -0.0189 -0.0044 352 TRP D C 11087 O O . TRP D 285 ? 0.4456 0.4869 0.4114 -0.0174 -0.0186 -0.0045 352 TRP D O 11088 C CB . TRP D 285 ? 0.4445 0.4861 0.4145 -0.0119 -0.0181 -0.0045 352 TRP D CB 11089 C CG . TRP D 285 ? 0.4819 0.5250 0.4524 -0.0129 -0.0177 -0.0044 352 TRP D CG 11090 C CD1 . TRP D 285 ? 0.5179 0.5638 0.4902 -0.0127 -0.0167 -0.0048 352 TRP D CD1 11091 C CD2 . TRP D 285 ? 0.4791 0.5208 0.4480 -0.0143 -0.0182 -0.0039 352 TRP D CD2 11092 N NE1 . TRP D 285 ? 0.5216 0.5679 0.4935 -0.0139 -0.0165 -0.0048 352 TRP D NE1 11093 C CE2 . TRP D 285 ? 0.4786 0.5226 0.4485 -0.0150 -0.0174 -0.0042 352 TRP D CE2 11094 C CE3 . TRP D 285 ? 0.4948 0.5331 0.4612 -0.0150 -0.0193 -0.0033 352 TRP D CE3 11095 C CZ2 . TRP D 285 ? 0.5542 0.5977 0.5228 -0.0167 -0.0176 -0.0039 352 TRP D CZ2 11096 C CZ3 . TRP D 285 ? 0.5280 0.5657 0.4931 -0.0166 -0.0197 -0.0028 352 TRP D CZ3 11097 C CH2 . TRP D 285 ? 0.4797 0.5202 0.4459 -0.0175 -0.0188 -0.0031 352 TRP D CH2 11098 N N . ALA D 286 ? 0.4482 0.4838 0.4122 -0.0153 -0.0199 -0.0040 353 ALA D N 11099 C CA . ALA D 286 ? 0.4699 0.5023 0.4309 -0.0170 -0.0209 -0.0034 353 ALA D CA 11100 C C . ALA D 286 ? 0.4716 0.5000 0.4313 -0.0154 -0.0219 -0.0029 353 ALA D C 11101 O O . ALA D 286 ? 0.4609 0.4888 0.4214 -0.0133 -0.0219 -0.0032 353 ALA D O 11102 C CB . ALA D 286 ? 0.4909 0.5224 0.4495 -0.0195 -0.0212 -0.0035 353 ALA D CB 11103 N N . PHE D 287 ? 0.5005 0.5262 0.4581 -0.0163 -0.0229 -0.0021 354 PHE D N 11104 C CA . PHE D 287 ? 0.4971 0.5186 0.4531 -0.0146 -0.0241 -0.0016 354 PHE D CA 11105 C C . PHE D 287 ? 0.5521 0.5692 0.5043 -0.0165 -0.0255 -0.0008 354 PHE D C 11106 O O . PHE D 287 ? 0.5699 0.5880 0.5212 -0.0191 -0.0255 -0.0004 354 PHE D O 11107 C CB . PHE D 287 ? 0.4735 0.4965 0.4319 -0.0121 -0.0239 -0.0014 354 PHE D CB 11108 C CG . PHE D 287 ? 0.4544 0.4790 0.4134 -0.0130 -0.0240 -0.0007 354 PHE D CG 11109 C CD1 . PHE D 287 ? 0.4800 0.5089 0.4414 -0.0136 -0.0228 -0.0010 354 PHE D CD1 11110 C CD2 . PHE D 287 ? 0.5189 0.5405 0.4759 -0.0131 -0.0253 0.0002 354 PHE D CD2 11111 C CE1 . PHE D 287 ? 0.5219 0.5520 0.4835 -0.0146 -0.0228 -0.0005 354 PHE D CE1 11112 C CE2 . PHE D 287 ? 0.5152 0.5384 0.4726 -0.0142 -0.0254 0.0009 354 PHE D CE2 11113 C CZ . PHE D 287 ? 0.5036 0.5311 0.4633 -0.0150 -0.0240 0.0005 354 PHE D CZ 11114 N N . ASP D 288 ? 0.5481 0.5604 0.4980 -0.0152 -0.0266 -0.0005 355 ASP D N 11115 C CA . ASP D 288 ? 0.5514 0.5584 0.4971 -0.0169 -0.0282 0.0002 355 ASP D CA 11116 C C . ASP D 288 ? 0.5412 0.5470 0.4867 -0.0159 -0.0292 0.0013 355 ASP D C 11117 O O . ASP D 288 ? 0.5302 0.5375 0.4782 -0.0131 -0.0290 0.0013 355 ASP D O 11118 C CB . ASP D 288 ? 0.6174 0.6189 0.5601 -0.0158 -0.0291 -0.0001 355 ASP D CB 11119 C CG . ASP D 288 ? 0.6310 0.6317 0.5753 -0.0117 -0.0292 -0.0004 355 ASP D CG 11120 O OD1 . ASP D 288 ? 0.6701 0.6748 0.6178 -0.0098 -0.0280 -0.0012 355 ASP D OD1 11121 O OD2 . ASP D 288 ? 0.6463 0.6425 0.5884 -0.0105 -0.0306 0.0002 355 ASP D OD2 11122 N N . ASN D 289 ? 0.6033 0.6067 0.5459 -0.0185 -0.0302 0.0022 356 ASN D N 11123 C CA . ASN D 289 ? 0.5987 0.5994 0.5399 -0.0180 -0.0316 0.0035 356 ASN D CA 11124 C C . ASN D 289 ? 0.6133 0.6076 0.5494 -0.0202 -0.0333 0.0044 356 ASN D C 11125 O O . ASN D 289 ? 0.6078 0.6022 0.5418 -0.0237 -0.0336 0.0050 356 ASN D O 11126 C CB . ASN D 289 ? 0.6131 0.6183 0.5564 -0.0193 -0.0310 0.0040 356 ASN D CB 11127 C CG . ASN D 289 ? 0.6754 0.6790 0.6182 -0.0181 -0.0324 0.0054 356 ASN D CG 11128 O OD1 . ASN D 289 ? 0.6057 0.6088 0.5468 -0.0205 -0.0331 0.0064 356 ASN D OD1 11129 N ND2 . ASN D 289 ? 0.7037 0.7063 0.6476 -0.0145 -0.0329 0.0054 356 ASN D ND2 11130 N N . GLY D 290 ? 0.6084 0.5972 0.5421 -0.0181 -0.0345 0.0044 357 GLY D N 11131 C CA . GLY D 290 ? 0.5774 0.5590 0.5057 -0.0198 -0.0362 0.0051 357 GLY D CA 11132 C C . GLY D 290 ? 0.5860 0.5677 0.5123 -0.0233 -0.0355 0.0044 357 GLY D C 11133 O O . GLY D 290 ? 0.5782 0.5612 0.5058 -0.0225 -0.0345 0.0032 357 GLY D O 11134 N N . ASN D 291 ? 0.6107 0.5912 0.5340 -0.0274 -0.0362 0.0052 358 ASN D N 11135 C CA . ASN D 291 ? 0.6314 0.6129 0.5527 -0.0313 -0.0357 0.0047 358 ASN D CA 11136 C C . ASN D 291 ? 0.5860 0.5757 0.5112 -0.0327 -0.0337 0.0040 358 ASN D C 11137 O O . ASN D 291 ? 0.5565 0.5485 0.4813 -0.0352 -0.0329 0.0033 358 ASN D O 11138 C CB . ASN D 291 ? 0.6571 0.6335 0.5727 -0.0353 -0.0374 0.0060 358 ASN D CB 11139 C CG . ASN D 291 ? 0.7560 0.7231 0.6667 -0.0343 -0.0394 0.0066 358 ASN D CG 11140 O OD1 . ASN D 291 ? 0.7331 0.6973 0.6428 -0.0328 -0.0393 0.0057 358 ASN D OD1 11141 N ND2 . ASN D 291 ? 0.7678 0.7301 0.6753 -0.0349 -0.0412 0.0081 358 ASN D ND2 11142 N N . ASP D 292 ? 0.5607 0.5549 0.4899 -0.0310 -0.0329 0.0041 359 ASP D N 11143 C CA . ASP D 292 ? 0.5524 0.5539 0.4853 -0.0321 -0.0312 0.0034 359 ASP D CA 11144 C C . ASP D 292 ? 0.5398 0.5456 0.4772 -0.0291 -0.0296 0.0022 359 ASP D C 11145 O O . ASP D 292 ? 0.5023 0.5060 0.4406 -0.0259 -0.0298 0.0019 359 ASP D O 11146 C CB . ASP D 292 ? 0.6231 0.6267 0.5572 -0.0323 -0.0313 0.0042 359 ASP D CB 11147 C CG . ASP D 292 ? 0.6547 0.6549 0.5844 -0.0357 -0.0328 0.0056 359 ASP D CG 11148 O OD1 . ASP D 292 ? 0.6818 0.6781 0.6074 -0.0383 -0.0338 0.0059 359 ASP D OD1 11149 O OD2 . ASP D 292 ? 0.7091 0.7107 0.6394 -0.0361 -0.0330 0.0063 359 ASP D OD2 11150 N N . VAL D 293 ? 0.5605 0.5721 0.5005 -0.0302 -0.0280 0.0013 360 VAL D N 11151 C CA . VAL D 293 ? 0.5836 0.5995 0.5280 -0.0275 -0.0265 0.0003 360 VAL D CA 11152 C C . VAL D 293 ? 0.5146 0.5358 0.4622 -0.0276 -0.0253 0.0001 360 VAL D C 11153 O O . VAL D 293 ? 0.4737 0.4971 0.4205 -0.0304 -0.0250 0.0001 360 VAL D O 11154 C CB . VAL D 293 ? 0.5566 0.5744 0.5012 -0.0284 -0.0257 -0.0006 360 VAL D CB 11155 C CG1 . VAL D 293 ? 0.5537 0.5754 0.4979 -0.0318 -0.0251 -0.0008 360 VAL D CG1 11156 C CG2 . VAL D 293 ? 0.5532 0.5744 0.5018 -0.0255 -0.0245 -0.0015 360 VAL D CG2 11157 N N . TRP D 294 ? 0.4751 0.4981 0.4259 -0.0246 -0.0247 -0.0001 361 TRP D N 11158 C CA . TRP D 294 ? 0.4775 0.5057 0.4316 -0.0244 -0.0233 -0.0006 361 TRP D CA 11159 C C . TRP D 294 ? 0.4510 0.4825 0.4078 -0.0231 -0.0220 -0.0017 361 TRP D C 11160 O O . TRP D 294 ? 0.4544 0.4846 0.4117 -0.0211 -0.0221 -0.0019 361 TRP D O 11161 C CB . TRP D 294 ? 0.4798 0.5080 0.4355 -0.0223 -0.0234 -0.0002 361 TRP D CB 11162 C CG . TRP D 294 ? 0.5083 0.5346 0.4621 -0.0235 -0.0245 0.0008 361 TRP D CG 11163 C CD1 . TRP D 294 ? 0.5332 0.5554 0.4851 -0.0226 -0.0260 0.0019 361 TRP D CD1 11164 C CD2 . TRP D 294 ? 0.5040 0.5327 0.4578 -0.0255 -0.0240 0.0010 361 TRP D CD2 11165 N NE1 . TRP D 294 ? 0.5195 0.5414 0.4702 -0.0241 -0.0267 0.0028 361 TRP D NE1 11166 C CE2 . TRP D 294 ? 0.5115 0.5373 0.4632 -0.0260 -0.0255 0.0023 361 TRP D CE2 11167 C CE3 . TRP D 294 ? 0.5562 0.5892 0.5115 -0.0269 -0.0226 0.0001 361 TRP D CE3 11168 C CZ2 . TRP D 294 ? 0.5041 0.5312 0.4551 -0.0282 -0.0255 0.0028 361 TRP D CZ2 11169 C CZ3 . TRP D 294 ? 0.5739 0.6080 0.5284 -0.0289 -0.0226 0.0004 361 TRP D CZ3 11170 C CH2 . TRP D 294 ? 0.5434 0.5747 0.4957 -0.0298 -0.0240 0.0018 361 TRP D CH2 11171 N N . MET D 295 ? 0.4279 0.4637 0.3864 -0.0241 -0.0208 -0.0024 362 MET D N 11172 C CA . MET D 295 ? 0.4915 0.5304 0.4523 -0.0230 -0.0197 -0.0033 362 MET D CA 11173 C C . MET D 295 ? 0.5341 0.5775 0.4975 -0.0229 -0.0184 -0.0040 362 MET D C 11174 O O . MET D 295 ? 0.5033 0.5477 0.4660 -0.0245 -0.0182 -0.0040 362 MET D O 11175 C CB . MET D 295 ? 0.4972 0.5362 0.4564 -0.0247 -0.0199 -0.0036 362 MET D CB 11176 C CG . MET D 295 ? 0.5671 0.6070 0.5241 -0.0281 -0.0201 -0.0035 362 MET D CG 11177 S SD . MET D 295 ? 0.5832 0.6238 0.5382 -0.0305 -0.0203 -0.0037 362 MET D SD 11178 C CE . MET D 295 ? 0.5677 0.6152 0.5267 -0.0295 -0.0186 -0.0049 362 MET D CE 11179 N N . GLY D 296 ? 0.4921 0.5378 0.4581 -0.0210 -0.0175 -0.0047 363 GLY D N 11180 C CA . GLY D 296 ? 0.4822 0.5319 0.4504 -0.0207 -0.0163 -0.0055 363 GLY D CA 11181 C C . GLY D 296 ? 0.4580 0.5108 0.4271 -0.0209 -0.0157 -0.0062 363 GLY D C 11182 O O . GLY D 296 ? 0.4915 0.5433 0.4599 -0.0210 -0.0162 -0.0060 363 GLY D O 11183 N N . ARG D 297 ? 0.5080 0.5646 0.4787 -0.0210 -0.0147 -0.0070 364 ARG D N 11184 C CA . ARG D 297 ? 0.4517 0.5121 0.4240 -0.0206 -0.0141 -0.0076 364 ARG D CA 11185 C C . ARG D 297 ? 0.4408 0.5049 0.4152 -0.0198 -0.0129 -0.0086 364 ARG D C 11186 O O . ARG D 297 ? 0.4374 0.5013 0.4115 -0.0202 -0.0125 -0.0088 364 ARG D O 11187 C CB . ARG D 297 ? 0.4927 0.5542 0.4631 -0.0232 -0.0145 -0.0076 364 ARG D CB 11188 C CG . ARG D 297 ? 0.4718 0.5351 0.4409 -0.0257 -0.0142 -0.0078 364 ARG D CG 11189 C CD . ARG D 297 ? 0.4926 0.5564 0.4593 -0.0287 -0.0149 -0.0075 364 ARG D CD 11190 N NE . ARG D 297 ? 0.5214 0.5883 0.4871 -0.0313 -0.0144 -0.0080 364 ARG D NE 11191 C CZ . ARG D 297 ? 0.5041 0.5723 0.4676 -0.0345 -0.0148 -0.0078 364 ARG D CZ 11192 N NH1 . ARG D 297 ? 0.5760 0.6471 0.5386 -0.0368 -0.0144 -0.0082 364 ARG D NH1 11193 N NH2 . ARG D 297 ? 0.5527 0.6191 0.5144 -0.0355 -0.0157 -0.0073 364 ARG D NH2 11194 N N . THR D 298 ? 0.4222 0.4895 0.3985 -0.0186 -0.0124 -0.0091 365 THR D N 11195 C CA . THR D 298 ? 0.4573 0.5284 0.4356 -0.0175 -0.0113 -0.0102 365 THR D CA 11196 C C . THR D 298 ? 0.4539 0.5282 0.4313 -0.0200 -0.0108 -0.0108 365 THR D C 11197 O O . THR D 298 ? 0.4543 0.5287 0.4299 -0.0224 -0.0114 -0.0103 365 THR D O 11198 C CB . THR D 298 ? 0.4947 0.5689 0.4753 -0.0156 -0.0109 -0.0105 365 THR D CB 11199 O OG1 . THR D 298 ? 0.4330 0.5100 0.4131 -0.0173 -0.0113 -0.0104 365 THR D OG1 11200 C CG2 . THR D 298 ? 0.5388 0.6102 0.5201 -0.0135 -0.0114 -0.0099 365 THR D CG2 11201 N N . ILE D 299 ? 0.4825 0.5590 0.4608 -0.0196 -0.0098 -0.0118 366 ILE D N 11202 C CA . ILE D 299 ? 0.5086 0.5885 0.4859 -0.0220 -0.0093 -0.0125 366 ILE D CA 11203 C C . ILE D 299 ? 0.4881 0.5736 0.4669 -0.0221 -0.0089 -0.0130 366 ILE D C 11204 O O . ILE D 299 ? 0.5278 0.6157 0.5051 -0.0248 -0.0091 -0.0130 366 ILE D O 11205 C CB . ILE D 299 ? 0.5259 0.6066 0.5035 -0.0218 -0.0083 -0.0135 366 ILE D CB 11206 C CG1 . ILE D 299 ? 0.5256 0.6015 0.5012 -0.0227 -0.0089 -0.0127 366 ILE D CG1 11207 C CG2 . ILE D 299 ? 0.4656 0.5514 0.4428 -0.0240 -0.0075 -0.0145 366 ILE D CG2 11208 C CD1 . ILE D 299 ? 0.5444 0.6199 0.5203 -0.0220 -0.0080 -0.0136 366 ILE D CD1 11209 N N . SER D 300 ? 0.5510 0.6384 0.5324 -0.0192 -0.0085 -0.0135 367 SER D N 11210 C CA . SER D 300 ? 0.5503 0.6434 0.5333 -0.0190 -0.0082 -0.0139 367 SER D CA 11211 C C . SER D 300 ? 0.5842 0.6765 0.5661 -0.0204 -0.0093 -0.0128 367 SER D C 11212 O O . SER D 300 ? 0.6446 0.7320 0.6256 -0.0199 -0.0101 -0.0118 367 SER D O 11213 C CB . SER D 300 ? 0.4881 0.5831 0.4740 -0.0153 -0.0076 -0.0146 367 SER D CB 11214 O OG . SER D 300 ? 0.5466 0.6463 0.5341 -0.0148 -0.0078 -0.0146 367 SER D OG 11215 N N . GLU D 301 ? 0.5639 0.6609 0.5455 -0.0225 -0.0093 -0.0130 368 GLU D N 11216 C CA . GLU D 301 ? 0.6258 0.7225 0.6060 -0.0242 -0.0103 -0.0121 368 GLU D CA 11217 C C . GLU D 301 ? 0.6015 0.7010 0.5843 -0.0217 -0.0103 -0.0120 368 GLU D C 11218 O O . GLU D 301 ? 0.5924 0.6911 0.5743 -0.0226 -0.0111 -0.0112 368 GLU D O 11219 C CB . GLU D 301 ? 0.6553 0.7563 0.6339 -0.0279 -0.0103 -0.0122 368 GLU D CB 11220 C CG . GLU D 301 ? 0.7728 0.8702 0.7481 -0.0309 -0.0107 -0.0119 368 GLU D CG 11221 C CD . GLU D 301 ? 0.8490 0.9514 0.8239 -0.0332 -0.0099 -0.0128 368 GLU D CD 11222 O OE1 . GLU D 301 ? 0.9677 1.0766 0.9452 -0.0321 -0.0089 -0.0138 368 GLU D OE1 11223 O OE2 . GLU D 301 ? 0.9160 1.0157 0.8880 -0.0360 -0.0103 -0.0124 368 GLU D OE2 11224 N N . ASP D 302 ? 0.5366 0.6391 0.5224 -0.0187 -0.0094 -0.0128 369 ASP D N 11225 C CA . ASP D 302 ? 0.5814 0.6870 0.5697 -0.0162 -0.0095 -0.0128 369 ASP D CA 11226 C C . ASP D 302 ? 0.6022 0.7035 0.5917 -0.0130 -0.0097 -0.0124 369 ASP D C 11227 O O . ASP D 302 ? 0.5709 0.6721 0.5612 -0.0118 -0.0102 -0.0117 369 ASP D O 11228 C CB . ASP D 302 ? 0.6068 0.7196 0.5978 -0.0148 -0.0085 -0.0140 369 ASP D CB 11229 C CG . ASP D 302 ? 0.6454 0.7640 0.6356 -0.0181 -0.0082 -0.0145 369 ASP D CG 11230 O OD1 . ASP D 302 ? 0.6180 0.7373 0.6065 -0.0210 -0.0089 -0.0137 369 ASP D OD1 11231 O OD2 . ASP D 302 ? 0.7297 0.8521 0.7208 -0.0179 -0.0072 -0.0157 369 ASP D OD2 11232 N N . SER D 303 ? 0.6090 0.7070 0.5985 -0.0117 -0.0092 -0.0128 370 SER D N 11233 C CA . SER D 303 ? 0.5626 0.6569 0.5530 -0.0088 -0.0094 -0.0125 370 SER D CA 11234 C C . SER D 303 ? 0.5213 0.6095 0.5100 -0.0091 -0.0095 -0.0122 370 SER D C 11235 O O . SER D 303 ? 0.5760 0.6628 0.5628 -0.0114 -0.0094 -0.0123 370 SER D O 11236 C CB . SER D 303 ? 0.6155 0.7130 0.6084 -0.0058 -0.0085 -0.0135 370 SER D CB 11237 O OG . SER D 303 ? 0.6987 0.7963 0.6912 -0.0061 -0.0076 -0.0147 370 SER D OG 11238 N N . ARG D 304 ? 0.5038 0.5884 0.4929 -0.0070 -0.0098 -0.0117 371 ARG D N 11239 C CA . ARG D 304 ? 0.4998 0.5790 0.4874 -0.0071 -0.0100 -0.0113 371 ARG D CA 11240 C C . ARG D 304 ? 0.4988 0.5772 0.4865 -0.0064 -0.0092 -0.0122 371 ARG D C 11241 O O . ARG D 304 ? 0.4682 0.5440 0.4563 -0.0045 -0.0090 -0.0122 371 ARG D O 11242 C CB . ARG D 304 ? 0.4758 0.5521 0.4638 -0.0055 -0.0106 -0.0104 371 ARG D CB 11243 C CG . ARG D 304 ? 0.4992 0.5759 0.4868 -0.0064 -0.0114 -0.0096 371 ARG D CG 11244 C CD . ARG D 304 ? 0.4800 0.5551 0.4685 -0.0045 -0.0119 -0.0089 371 ARG D CD 11245 N NE . ARG D 304 ? 0.5202 0.5955 0.5080 -0.0055 -0.0126 -0.0082 371 ARG D NE 11246 C CZ . ARG D 304 ? 0.4313 0.5049 0.4191 -0.0047 -0.0132 -0.0075 371 ARG D CZ 11247 N NH1 . ARG D 304 ? 0.4485 0.5201 0.4369 -0.0029 -0.0132 -0.0073 371 ARG D NH1 11248 N NH2 . ARG D 304 ? 0.4761 0.5499 0.4630 -0.0059 -0.0137 -0.0071 371 ARG D NH2 11249 N N . SER D 305 ? 0.4844 0.5649 0.4714 -0.0081 -0.0086 -0.0130 372 SER D N 11250 C CA . SER D 305 ? 0.4981 0.5782 0.4849 -0.0078 -0.0077 -0.0140 372 SER D CA 11251 C C . SER D 305 ? 0.5057 0.5844 0.4903 -0.0108 -0.0078 -0.0138 372 SER D C 11252 O O . SER D 305 ? 0.4452 0.5252 0.4287 -0.0132 -0.0082 -0.0134 372 SER D O 11253 C CB . SER D 305 ? 0.5071 0.5922 0.4956 -0.0066 -0.0067 -0.0154 372 SER D CB 11254 O OG . SER D 305 ? 0.6156 0.7050 0.6038 -0.0089 -0.0065 -0.0158 372 SER D OG 11255 N N . GLY D 306 ? 0.5253 0.6008 0.5089 -0.0108 -0.0075 -0.0140 373 GLY D N 11256 C CA . GLY D 306 ? 0.5156 0.5892 0.4971 -0.0133 -0.0078 -0.0137 373 GLY D CA 11257 C C . GLY D 306 ? 0.4750 0.5450 0.4551 -0.0144 -0.0090 -0.0122 373 GLY D C 11258 O O . GLY D 306 ? 0.5012 0.5708 0.4820 -0.0134 -0.0096 -0.0115 373 GLY D O 11259 N N . TYR D 307 ? 0.4389 0.5067 0.4171 -0.0163 -0.0093 -0.0117 374 TYR D N 11260 C CA . TYR D 307 ? 0.4712 0.5359 0.4480 -0.0172 -0.0105 -0.0104 374 TYR D CA 11261 C C . TYR D 307 ? 0.4613 0.5248 0.4358 -0.0198 -0.0108 -0.0100 374 TYR D C 11262 O O . TYR D 307 ? 0.4599 0.5235 0.4340 -0.0203 -0.0103 -0.0105 374 TYR D O 11263 C CB . TYR D 307 ? 0.4541 0.5155 0.4314 -0.0153 -0.0109 -0.0097 374 TYR D CB 11264 C CG . TYR D 307 ? 0.4425 0.5016 0.4190 -0.0154 -0.0120 -0.0086 374 TYR D CG 11265 C CD1 . TYR D 307 ? 0.4977 0.5574 0.4750 -0.0145 -0.0123 -0.0084 374 TYR D CD1 11266 C CD2 . TYR D 307 ? 0.4328 0.4891 0.4076 -0.0165 -0.0128 -0.0078 374 TYR D CD2 11267 C CE1 . TYR D 307 ? 0.4305 0.4879 0.4069 -0.0145 -0.0132 -0.0076 374 TYR D CE1 11268 C CE2 . TYR D 307 ? 0.4363 0.4904 0.4103 -0.0163 -0.0138 -0.0069 374 TYR D CE2 11269 C CZ . TYR D 307 ? 0.4554 0.5100 0.4302 -0.0154 -0.0139 -0.0069 374 TYR D CZ 11270 O OH . TYR D 307 ? 0.5533 0.6055 0.5271 -0.0152 -0.0149 -0.0062 374 TYR D OH 11271 N N . GLU D 308 ? 0.4967 0.5588 0.4696 -0.0214 -0.0119 -0.0091 375 GLU D N 11272 C CA . GLU D 308 ? 0.4660 0.5268 0.4364 -0.0240 -0.0125 -0.0086 375 GLU D CA 11273 C C . GLU D 308 ? 0.4748 0.5317 0.4436 -0.0242 -0.0139 -0.0073 375 GLU D C 11274 O O . GLU D 308 ? 0.4866 0.5429 0.4559 -0.0231 -0.0143 -0.0070 375 GLU D O 11275 C CB . GLU D 308 ? 0.5199 0.5840 0.4894 -0.0265 -0.0122 -0.0091 375 GLU D CB 11276 C CG . GLU D 308 ? 0.5651 0.6303 0.5344 -0.0269 -0.0126 -0.0089 375 GLU D CG 11277 C CD . GLU D 308 ? 0.5953 0.6645 0.5636 -0.0298 -0.0123 -0.0094 375 GLU D CD 11278 O OE1 . GLU D 308 ? 0.5098 0.5804 0.4772 -0.0315 -0.0119 -0.0098 375 GLU D OE1 11279 O OE2 . GLU D 308 ? 0.5869 0.6580 0.5551 -0.0305 -0.0125 -0.0094 375 GLU D OE2 11280 N N . THR D 309 ? 0.4596 0.5141 0.4266 -0.0255 -0.0146 -0.0065 376 THR D N 11281 C CA . THR D 309 ? 0.5040 0.5546 0.4691 -0.0258 -0.0160 -0.0053 376 THR D CA 11282 C C . THR D 309 ? 0.5316 0.5811 0.4937 -0.0288 -0.0168 -0.0046 376 THR D C 11283 O O . THR D 309 ? 0.5197 0.5713 0.4814 -0.0306 -0.0163 -0.0050 376 THR D O 11284 C CB . THR D 309 ? 0.5931 0.6411 0.5584 -0.0242 -0.0166 -0.0045 376 THR D CB 11285 O OG1 . THR D 309 ? 0.6467 0.6956 0.6120 -0.0250 -0.0161 -0.0046 376 THR D OG1 11286 C CG2 . THR D 309 ? 0.6277 0.6761 0.5954 -0.0215 -0.0161 -0.0049 376 THR D CG2 11287 N N . PHE D 310 ? 0.5272 0.5735 0.4872 -0.0295 -0.0181 -0.0037 377 PHE D N 11288 C CA . PHE D 310 ? 0.5347 0.5789 0.4914 -0.0323 -0.0192 -0.0029 377 PHE D CA 11289 C C . PHE D 310 ? 0.5306 0.5698 0.4850 -0.0320 -0.0207 -0.0018 377 PHE D C 11290 O O . PHE D 310 ? 0.4716 0.5095 0.4270 -0.0298 -0.0209 -0.0019 377 PHE D O 11291 C CB . PHE D 310 ? 0.5423 0.5897 0.4979 -0.0353 -0.0186 -0.0035 377 PHE D CB 11292 C CG . PHE D 310 ? 0.5679 0.6172 0.5243 -0.0350 -0.0182 -0.0042 377 PHE D CG 11293 C CD1 . PHE D 310 ? 0.5653 0.6114 0.5195 -0.0357 -0.0193 -0.0035 377 PHE D CD1 11294 C CD2 . PHE D 310 ? 0.5232 0.5775 0.4825 -0.0341 -0.0168 -0.0054 377 PHE D CD2 11295 C CE1 . PHE D 310 ? 0.5991 0.6472 0.5539 -0.0357 -0.0190 -0.0041 377 PHE D CE1 11296 C CE2 . PHE D 310 ? 0.6281 0.6846 0.5882 -0.0338 -0.0164 -0.0059 377 PHE D CE2 11297 C CZ . PHE D 310 ? 0.5588 0.6123 0.5167 -0.0347 -0.0175 -0.0053 377 PHE D CZ 11298 N N . ARG D 311 ? 0.5211 0.5576 0.4723 -0.0344 -0.0220 -0.0009 378 ARG D N 11299 C CA . ARG D 311 ? 0.5691 0.6003 0.5173 -0.0346 -0.0236 0.0000 378 ARG D CA 11300 C C . ARG D 311 ? 0.5529 0.5837 0.4980 -0.0380 -0.0240 0.0001 378 ARG D C 11301 O O . ARG D 311 ? 0.5210 0.5546 0.4651 -0.0410 -0.0236 0.0000 378 ARG D O 11302 C CB . ARG D 311 ? 0.5790 0.6067 0.5253 -0.0347 -0.0249 0.0013 378 ARG D CB 11303 C CG . ARG D 311 ? 0.5986 0.6202 0.5416 -0.0346 -0.0267 0.0024 378 ARG D CG 11304 C CD . ARG D 311 ? 0.6846 0.7033 0.6271 -0.0331 -0.0279 0.0036 378 ARG D CD 11305 N NE . ARG D 311 ? 0.7955 0.8112 0.7341 -0.0360 -0.0294 0.0048 378 ARG D NE 11306 C CZ . ARG D 311 ? 0.8237 0.8412 0.7620 -0.0379 -0.0294 0.0054 378 ARG D CZ 11307 N NH1 . ARG D 311 ? 0.9023 0.9165 0.8366 -0.0407 -0.0309 0.0067 378 ARG D NH1 11308 N NH2 . ARG D 311 ? 0.9916 1.0136 0.9330 -0.0371 -0.0281 0.0048 378 ARG D NH2 11309 N N . VAL D 312 ? 0.5433 0.5704 0.4865 -0.0378 -0.0248 0.0003 379 VAL D N 11310 C CA . VAL D 312 ? 0.5597 0.5856 0.4993 -0.0413 -0.0255 0.0005 379 VAL D CA 11311 C C . VAL D 312 ? 0.5743 0.5929 0.5095 -0.0420 -0.0276 0.0019 379 VAL D C 11312 O O . VAL D 312 ? 0.6237 0.6381 0.5586 -0.0394 -0.0282 0.0020 379 VAL D O 11313 C CB . VAL D 312 ? 0.5428 0.5705 0.4831 -0.0411 -0.0249 -0.0003 379 VAL D CB 11314 C CG1 . VAL D 312 ? 0.5513 0.5781 0.4876 -0.0452 -0.0256 0.0000 379 VAL D CG1 11315 C CG2 . VAL D 312 ? 0.5299 0.5643 0.4747 -0.0398 -0.0230 -0.0015 379 VAL D CG2 11316 N N . THR D 313 ? 0.6168 0.6336 0.5484 -0.0453 -0.0286 0.0028 380 THR D N 11317 C CA . THR D 313 ? 0.6505 0.6597 0.5775 -0.0460 -0.0308 0.0043 380 THR D CA 11318 C C . THR D 313 ? 0.6613 0.6666 0.5852 -0.0471 -0.0315 0.0042 380 THR D C 11319 O O . THR D 313 ? 0.6208 0.6292 0.5440 -0.0498 -0.0308 0.0035 380 THR D O 11320 C CB . THR D 313 ? 0.7311 0.7391 0.6548 -0.0496 -0.0318 0.0055 380 THR D CB 11321 O OG1 . THR D 313 ? 0.7679 0.7791 0.6898 -0.0538 -0.0313 0.0052 380 THR D OG1 11322 C CG2 . THR D 313 ? 0.7209 0.7329 0.6477 -0.0486 -0.0310 0.0055 380 THR D CG2 11323 N N . ASP D 314 ? 0.7214 0.7203 0.6435 -0.0447 -0.0327 0.0046 381 ASP D N 11324 C CA . ASP D 314 ? 0.6774 0.6718 0.5963 -0.0452 -0.0334 0.0043 381 ASP D CA 11325 C C . ASP D 314 ? 0.6388 0.6376 0.5609 -0.0440 -0.0318 0.0029 381 ASP D C 11326 O O . ASP D 314 ? 0.6501 0.6462 0.5698 -0.0449 -0.0321 0.0025 381 ASP D O 11327 C CB . ASP D 314 ? 0.7460 0.7374 0.6594 -0.0502 -0.0346 0.0052 381 ASP D CB 11328 C CG . ASP D 314 ? 0.8004 0.7854 0.7096 -0.0512 -0.0367 0.0068 381 ASP D CG 11329 O OD1 . ASP D 314 ? 0.7754 0.7542 0.6835 -0.0481 -0.0380 0.0074 381 ASP D OD1 11330 O OD2 . ASP D 314 ? 0.9634 0.9497 0.8706 -0.0549 -0.0371 0.0076 381 ASP D OD2 11331 N N . GLY D 315 ? 0.6383 0.6436 0.5657 -0.0419 -0.0301 0.0021 382 GLY D N 11332 C CA . GLY D 315 ? 0.6608 0.6708 0.5914 -0.0409 -0.0286 0.0008 382 GLY D CA 11333 C C . GLY D 315 ? 0.6337 0.6409 0.5651 -0.0375 -0.0287 0.0003 382 GLY D C 11334 O O . GLY D 315 ? 0.5986 0.6089 0.5320 -0.0367 -0.0276 -0.0006 382 GLY D O 11335 N N . TRP D 316 ? 0.5648 0.5665 0.4950 -0.0351 -0.0298 0.0009 383 TRP D N 11336 C CA . TRP D 316 ? 0.5948 0.5935 0.5253 -0.0319 -0.0299 0.0003 383 TRP D CA 11337 C C . TRP D 316 ? 0.6269 0.6191 0.5523 -0.0333 -0.0312 0.0003 383 TRP D C 11338 O O . TRP D 316 ? 0.6504 0.6415 0.5760 -0.0318 -0.0309 -0.0004 383 TRP D O 11339 C CB . TRP D 316 ? 0.5522 0.5488 0.4842 -0.0281 -0.0304 0.0007 383 TRP D CB 11340 C CG . TRP D 316 ? 0.6039 0.5996 0.5375 -0.0246 -0.0300 -0.0001 383 TRP D CG 11341 C CD1 . TRP D 316 ? 0.6048 0.5943 0.5358 -0.0226 -0.0311 -0.0002 383 TRP D CD1 11342 C CD2 . TRP D 316 ? 0.6068 0.6078 0.5447 -0.0227 -0.0285 -0.0012 383 TRP D CD2 11343 N NE1 . TRP D 316 ? 0.5634 0.5544 0.4969 -0.0197 -0.0303 -0.0013 383 TRP D NE1 11344 C CE2 . TRP D 316 ? 0.6080 0.6060 0.5456 -0.0198 -0.0287 -0.0018 383 TRP D CE2 11345 C CE3 . TRP D 316 ? 0.6091 0.6169 0.5509 -0.0231 -0.0269 -0.0016 383 TRP D CE3 11346 C CZ2 . TRP D 316 ? 0.6426 0.6445 0.5837 -0.0176 -0.0274 -0.0028 383 TRP D CZ2 11347 C CZ3 . TRP D 316 ? 0.6115 0.6227 0.5566 -0.0208 -0.0258 -0.0025 383 TRP D CZ3 11348 C CH2 . TRP D 316 ? 0.6633 0.6717 0.6081 -0.0182 -0.0260 -0.0030 383 TRP D CH2 11349 N N . THR D 317 ? 0.6786 0.6659 0.5993 -0.0362 -0.0327 0.0013 384 THR D N 11350 C CA . THR D 317 ? 0.6603 0.6398 0.5754 -0.0373 -0.0341 0.0015 384 THR D CA 11351 C C . THR D 317 ? 0.6876 0.6663 0.5985 -0.0424 -0.0346 0.0017 384 THR D C 11352 O O . THR D 317 ? 0.6822 0.6551 0.5886 -0.0436 -0.0355 0.0017 384 THR D O 11353 C CB . THR D 317 ? 0.6717 0.6433 0.5834 -0.0358 -0.0360 0.0025 384 THR D CB 11354 O OG1 . THR D 317 ? 0.6257 0.5976 0.5365 -0.0378 -0.0368 0.0038 384 THR D OG1 11355 C CG2 . THR D 317 ? 0.6527 0.6241 0.5679 -0.0303 -0.0357 0.0020 384 THR D CG2 11356 N N . THR D 318 ? 0.7225 0.7071 0.6346 -0.0455 -0.0339 0.0020 385 THR D N 11357 C CA . THR D 318 ? 0.6407 0.6257 0.5490 -0.0506 -0.0342 0.0022 385 THR D CA 11358 C C . THR D 318 ? 0.6586 0.6524 0.5708 -0.0517 -0.0323 0.0012 385 THR D C 11359 O O . THR D 318 ? 0.6691 0.6699 0.5859 -0.0508 -0.0310 0.0009 385 THR D O 11360 C CB . THR D 318 ? 0.7068 0.6919 0.6130 -0.0539 -0.0350 0.0034 385 THR D CB 11361 O OG1 . THR D 318 ? 0.8123 0.7892 0.7148 -0.0530 -0.0369 0.0046 385 THR D OG1 11362 C CG2 . THR D 318 ? 0.7188 0.7050 0.6210 -0.0596 -0.0353 0.0037 385 THR D CG2 11363 N N . ALA D 319 ? 0.7005 0.6936 0.6104 -0.0535 -0.0323 0.0007 386 ALA D N 11364 C CA . ALA D 319 ? 0.6377 0.6390 0.5510 -0.0545 -0.0308 -0.0001 386 ALA D CA 11365 C C . ALA D 319 ? 0.6911 0.6992 0.6058 -0.0574 -0.0301 0.0000 386 ALA D C 11366 O O . ALA D 319 ? 0.6519 0.6581 0.5624 -0.0614 -0.0310 0.0008 386 ALA D O 11367 C CB . ALA D 319 ? 0.6800 0.6790 0.5894 -0.0572 -0.0312 -0.0004 386 ALA D CB 11368 N N . ASN D 320 ? 0.6979 0.7139 0.6184 -0.0553 -0.0284 -0.0007 387 ASN D N 11369 C CA . ASN D 320 ? 0.7032 0.7271 0.6257 -0.0577 -0.0273 -0.0009 387 ASN D CA 11370 C C . ASN D 320 ? 0.6945 0.7192 0.6170 -0.0587 -0.0275 -0.0003 387 ASN D C 11371 O O . ASN D 320 ? 0.6083 0.6388 0.5313 -0.0614 -0.0268 -0.0005 387 ASN D O 11372 C CB . ASN D 320 ? 0.7963 0.8217 0.7151 -0.0626 -0.0277 -0.0008 387 ASN D CB 11373 C CG . ASN D 320 ? 0.8680 0.9033 0.7908 -0.0631 -0.0261 -0.0018 387 ASN D CG 11374 O OD1 . ASN D 320 ? 0.8931 0.9316 0.8201 -0.0598 -0.0251 -0.0025 387 ASN D OD1 11375 N ND2 . ASN D 320 ? 1.0044 1.0445 0.9259 -0.0672 -0.0260 -0.0017 387 ASN D ND2 11376 N N . SER D 321 ? 0.6728 0.6922 0.5950 -0.0563 -0.0282 0.0002 388 SER D N 11377 C CA . SER D 321 ? 0.6633 0.6841 0.5860 -0.0570 -0.0282 0.0007 388 SER D CA 11378 C C . SER D 321 ? 0.6263 0.6556 0.5545 -0.0555 -0.0263 -0.0002 388 SER D C 11379 O O . SER D 321 ? 0.7015 0.7334 0.6339 -0.0519 -0.0252 -0.0010 388 SER D O 11380 C CB . SER D 321 ? 0.6840 0.6989 0.6063 -0.0542 -0.0292 0.0015 388 SER D CB 11381 O OG . SER D 321 ? 0.9100 0.9168 0.8281 -0.0539 -0.0308 0.0021 388 SER D OG 11382 N N . LYS D 322 ? 0.6698 0.7031 0.5977 -0.0583 -0.0259 -0.0002 389 LYS D N 11383 C CA . LYS D 322 ? 0.6523 0.6936 0.5849 -0.0573 -0.0240 -0.0012 389 LYS D CA 11384 C C . LYS D 322 ? 0.6311 0.6725 0.5636 -0.0578 -0.0241 -0.0008 389 LYS D C 11385 O O . LYS D 322 ? 0.6647 0.7121 0.5997 -0.0582 -0.0227 -0.0016 389 LYS D O 11386 C CB . LYS D 322 ? 0.6646 0.7127 0.5974 -0.0602 -0.0231 -0.0020 389 LYS D CB 11387 C CG . LYS D 322 ? 0.7101 0.7598 0.6444 -0.0590 -0.0228 -0.0026 389 LYS D CG 11388 C CD . LYS D 322 ? 0.6807 0.7387 0.6164 -0.0612 -0.0216 -0.0034 389 LYS D CD 11389 C CE . LYS D 322 ? 0.6515 0.7102 0.5877 -0.0605 -0.0216 -0.0037 389 LYS D CE 11390 N NZ . LYS D 322 ? 0.7099 0.7781 0.6493 -0.0611 -0.0202 -0.0047 389 LYS D NZ 11391 N N . SER D 323 ? 0.6473 0.6818 0.5773 -0.0572 -0.0255 0.0003 390 SER D N 11392 C CA . SER D 323 ? 0.7258 0.7593 0.6548 -0.0582 -0.0260 0.0010 390 SER D CA 11393 C C . SER D 323 ? 0.6585 0.6928 0.5916 -0.0540 -0.0252 0.0006 390 SER D C 11394 O O . SER D 323 ? 0.5717 0.6008 0.5045 -0.0516 -0.0262 0.0015 390 SER D O 11395 C CB . SER D 323 ? 0.7908 0.8161 0.7143 -0.0601 -0.0282 0.0026 390 SER D CB 11396 O OG . SER D 323 ? 0.9918 1.0163 0.9139 -0.0614 -0.0288 0.0035 390 SER D OG 11397 N N . GLN D 324 ? 0.6162 0.6571 0.5533 -0.0530 -0.0234 -0.0005 391 GLN D N 11398 C CA . GLN D 324 ? 0.6419 0.6833 0.5825 -0.0493 -0.0226 -0.0008 391 GLN D CA 11399 C C . GLN D 324 ? 0.6186 0.6599 0.5587 -0.0502 -0.0228 -0.0003 391 GLN D C 11400 O O . GLN D 324 ? 0.6144 0.6576 0.5526 -0.0536 -0.0228 -0.0002 391 GLN D O 11401 C CB . GLN D 324 ? 0.6377 0.6847 0.5831 -0.0467 -0.0207 -0.0024 391 GLN D CB 11402 C CG . GLN D 324 ? 0.6743 0.7281 0.6213 -0.0482 -0.0192 -0.0036 391 GLN D CG 11403 C CD . GLN D 324 ? 0.6353 0.6930 0.5869 -0.0447 -0.0175 -0.0049 391 GLN D CD 11404 O OE1 . GLN D 324 ? 0.6187 0.6770 0.5714 -0.0439 -0.0169 -0.0052 391 GLN D OE1 11405 N NE2 . GLN D 324 ? 0.5589 0.6188 0.5129 -0.0428 -0.0168 -0.0056 391 GLN D NE2 11406 N N . VAL D 325 ? 0.5783 0.6177 0.5203 -0.0471 -0.0229 -0.0001 392 VAL D N 11407 C CA . VAL D 325 ? 0.5755 0.6148 0.5174 -0.0474 -0.0230 0.0003 392 VAL D CA 11408 C C . VAL D 325 ? 0.5953 0.6355 0.5410 -0.0435 -0.0221 -0.0001 392 VAL D C 11409 O O . VAL D 325 ? 0.5362 0.5756 0.4839 -0.0406 -0.0220 -0.0004 392 VAL D O 11410 C CB . VAL D 325 ? 0.5985 0.6317 0.5362 -0.0490 -0.0252 0.0022 392 VAL D CB 11411 C CG1 . VAL D 325 ? 0.5846 0.6125 0.5222 -0.0459 -0.0265 0.0031 392 VAL D CG1 11412 C CG2 . VAL D 325 ? 0.6220 0.6558 0.5593 -0.0500 -0.0254 0.0029 392 VAL D CG2 11413 N N . ASN D 326 ? 0.5853 0.6274 0.5319 -0.0437 -0.0216 -0.0002 393 ASN D N 11414 C CA . ASN D 326 ? 0.5891 0.6317 0.5386 -0.0406 -0.0209 -0.0005 393 ASN D CA 11415 C C . ASN D 326 ? 0.6284 0.6744 0.5815 -0.0383 -0.0192 -0.0021 393 ASN D C 11416 O O . ASN D 326 ? 0.5816 0.6267 0.5368 -0.0352 -0.0191 -0.0021 393 ASN D O 11417 C CB . ASN D 326 ? 0.6259 0.6639 0.5751 -0.0383 -0.0224 0.0007 393 ASN D CB 11418 C CG . ASN D 326 ? 0.6334 0.6679 0.5794 -0.0401 -0.0242 0.0024 393 ASN D CG 11419 O OD1 . ASN D 326 ? 0.6976 0.7278 0.6424 -0.0388 -0.0257 0.0035 393 ASN D OD1 11420 N ND2 . ASN D 326 ? 0.6472 0.6835 0.5919 -0.0428 -0.0240 0.0025 393 ASN D ND2 11421 N N . ARG D 327 ? 0.5357 0.5858 0.4894 -0.0396 -0.0180 -0.0033 394 ARG D N 11422 C CA . ARG D 327 ? 0.5306 0.5840 0.4874 -0.0374 -0.0165 -0.0047 394 ARG D CA 11423 C C . ARG D 327 ? 0.5740 0.6285 0.5328 -0.0358 -0.0155 -0.0053 394 ARG D C 11424 O O . ARG D 327 ? 0.5814 0.6366 0.5391 -0.0375 -0.0154 -0.0054 394 ARG D O 11425 C CB . ARG D 327 ? 0.5670 0.6251 0.5241 -0.0392 -0.0154 -0.0059 394 ARG D CB 11426 C CG . ARG D 327 ? 0.5383 0.6000 0.4987 -0.0367 -0.0139 -0.0074 394 ARG D CG 11427 C CD . ARG D 327 ? 0.5355 0.6021 0.4962 -0.0383 -0.0130 -0.0085 394 ARG D CD 11428 N NE . ARG D 327 ? 0.5424 0.6123 0.5062 -0.0357 -0.0118 -0.0098 394 ARG D NE 11429 C CZ . ARG D 327 ? 0.5951 0.6695 0.5607 -0.0351 -0.0102 -0.0113 394 ARG D CZ 11430 N NH1 . ARG D 327 ? 0.6453 0.7216 0.6100 -0.0369 -0.0096 -0.0120 394 ARG D NH1 11431 N NH2 . ARG D 327 ? 0.5905 0.6675 0.5590 -0.0324 -0.0094 -0.0123 394 ARG D NH2 11432 N N . GLN D 328 ? 0.4817 0.5364 0.4431 -0.0327 -0.0149 -0.0059 395 GLN D N 11433 C CA . GLN D 328 ? 0.4527 0.5088 0.4160 -0.0312 -0.0137 -0.0068 395 GLN D CA 11434 C C . GLN D 328 ? 0.4758 0.5344 0.4417 -0.0290 -0.0126 -0.0081 395 GLN D C 11435 O O . GLN D 328 ? 0.5040 0.5621 0.4709 -0.0275 -0.0129 -0.0078 395 GLN D O 11436 C CB . GLN D 328 ? 0.4896 0.5427 0.4533 -0.0295 -0.0144 -0.0058 395 GLN D CB 11437 C CG . GLN D 328 ? 0.4715 0.5221 0.4329 -0.0311 -0.0158 -0.0044 395 GLN D CG 11438 C CD . GLN D 328 ? 0.4524 0.5007 0.4145 -0.0291 -0.0166 -0.0034 395 GLN D CD 11439 O OE1 . GLN D 328 ? 0.4766 0.5223 0.4381 -0.0283 -0.0178 -0.0024 395 GLN D OE1 11440 N NE2 . GLN D 328 ? 0.4714 0.5204 0.4344 -0.0285 -0.0159 -0.0038 395 GLN D NE2 11441 N N . ILE D 329 ? 0.4737 0.5349 0.4406 -0.0287 -0.0112 -0.0094 396 ILE D N 11442 C CA . ILE D 329 ? 0.4699 0.5327 0.4392 -0.0262 -0.0101 -0.0106 396 ILE D CA 11443 C C . ILE D 329 ? 0.4627 0.5228 0.4329 -0.0240 -0.0102 -0.0102 396 ILE D C 11444 O O . ILE D 329 ? 0.5347 0.5936 0.5041 -0.0245 -0.0101 -0.0101 396 ILE D O 11445 C CB . ILE D 329 ? 0.4842 0.5506 0.4540 -0.0267 -0.0086 -0.0123 396 ILE D CB 11446 C CG1 . ILE D 329 ? 0.5211 0.5912 0.4904 -0.0286 -0.0085 -0.0127 396 ILE D CG1 11447 C CG2 . ILE D 329 ? 0.4866 0.5539 0.4588 -0.0236 -0.0076 -0.0134 396 ILE D CG2 11448 C CD1 . ILE D 329 ? 0.5169 0.5914 0.4869 -0.0290 -0.0070 -0.0145 396 ILE D CD1 11449 N N . ILE D 330 ? 0.4797 0.5393 0.4515 -0.0218 -0.0104 -0.0100 397 ILE D N 11450 C CA . ILE D 330 ? 0.4643 0.5217 0.4370 -0.0198 -0.0104 -0.0098 397 ILE D CA 11451 C C . ILE D 330 ? 0.4609 0.5194 0.4350 -0.0179 -0.0093 -0.0110 397 ILE D C 11452 O O . ILE D 330 ? 0.4720 0.5291 0.4460 -0.0174 -0.0088 -0.0114 397 ILE D O 11453 C CB . ILE D 330 ? 0.4597 0.5154 0.4329 -0.0185 -0.0114 -0.0087 397 ILE D CB 11454 C CG1 . ILE D 330 ? 0.4763 0.5305 0.4479 -0.0201 -0.0126 -0.0075 397 ILE D CG1 11455 C CG2 . ILE D 330 ? 0.4490 0.5028 0.4228 -0.0169 -0.0115 -0.0083 397 ILE D CG2 11456 C CD1 . ILE D 330 ? 0.4497 0.5021 0.4197 -0.0212 -0.0132 -0.0067 397 ILE D CD1 11457 N N . VAL D 331 ? 0.5012 0.5623 0.4767 -0.0171 -0.0088 -0.0117 398 VAL D N 11458 C CA . VAL D 331 ? 0.4746 0.5372 0.4515 -0.0151 -0.0078 -0.0130 398 VAL D CA 11459 C C . VAL D 331 ? 0.4732 0.5400 0.4506 -0.0159 -0.0070 -0.0141 398 VAL D C 11460 O O . VAL D 331 ? 0.4605 0.5292 0.4382 -0.0166 -0.0075 -0.0138 398 VAL D O 11461 C CB . VAL D 331 ? 0.4914 0.5535 0.4699 -0.0128 -0.0082 -0.0126 398 VAL D CB 11462 C CG1 . VAL D 331 ? 0.4831 0.5465 0.4631 -0.0106 -0.0073 -0.0138 398 VAL D CG1 11463 C CG2 . VAL D 331 ? 0.5065 0.5650 0.4846 -0.0122 -0.0089 -0.0114 398 VAL D CG2 11464 N N . ASP D 332 ? 0.4811 0.5494 0.4586 -0.0157 -0.0059 -0.0156 399 ASP D N 11465 C CA . ASP D 332 ? 0.4874 0.5605 0.4654 -0.0164 -0.0050 -0.0168 399 ASP D CA 11466 C C . ASP D 332 ? 0.4661 0.5421 0.4464 -0.0143 -0.0049 -0.0171 399 ASP D C 11467 O O . ASP D 332 ? 0.4533 0.5274 0.4347 -0.0118 -0.0052 -0.0168 399 ASP D O 11468 C CB . ASP D 332 ? 0.4964 0.5706 0.4739 -0.0165 -0.0037 -0.0185 399 ASP D CB 11469 C CG . ASP D 332 ? 0.6513 0.7236 0.6298 -0.0134 -0.0031 -0.0195 399 ASP D CG 11470 O OD1 . ASP D 332 ? 0.7521 0.8205 0.7293 -0.0132 -0.0030 -0.0195 399 ASP D OD1 11471 O OD2 . ASP D 332 ? 0.7986 0.8732 0.7790 -0.0110 -0.0027 -0.0201 399 ASP D OD2 11472 N N . ASN D 333 ? 0.4504 0.5313 0.4312 -0.0152 -0.0044 -0.0179 400 ASN D N 11473 C CA . ASN D 333 ? 0.4875 0.5721 0.4704 -0.0137 -0.0044 -0.0181 400 ASN D CA 11474 C C . ASN D 333 ? 0.5110 0.5976 0.4959 -0.0104 -0.0034 -0.0195 400 ASN D C 11475 O O . ASN D 333 ? 0.6399 0.7302 0.6268 -0.0090 -0.0034 -0.0197 400 ASN D O 11476 C CB . ASN D 333 ? 0.5073 0.5969 0.4900 -0.0161 -0.0044 -0.0182 400 ASN D CB 11477 C CG . ASN D 333 ? 0.6086 0.7010 0.5930 -0.0152 -0.0049 -0.0177 400 ASN D CG 11478 O OD1 . ASN D 333 ? 0.5788 0.6684 0.5637 -0.0137 -0.0057 -0.0166 400 ASN D OD1 11479 N ND2 . ASN D 333 ? 0.6225 0.7208 0.6075 -0.0163 -0.0044 -0.0184 400 ASN D ND2 11480 N N . ASN D 334 ? 0.5175 0.6017 0.5020 -0.0092 -0.0027 -0.0205 401 ASN D N 11481 C CA . ASN D 334 ? 0.5751 0.6594 0.5612 -0.0056 -0.0021 -0.0216 401 ASN D CA 11482 C C . ASN D 334 ? 0.5354 0.6146 0.5216 -0.0036 -0.0029 -0.0205 401 ASN D C 11483 O O . ASN D 334 ? 0.5094 0.5870 0.4961 -0.0008 -0.0025 -0.0213 401 ASN D O 11484 C CB . ASN D 334 ? 0.6538 0.7377 0.6390 -0.0052 -0.0008 -0.0234 401 ASN D CB 11485 C CG . ASN D 334 ? 0.7464 0.8363 0.7319 -0.0068 0.0001 -0.0248 401 ASN D CG 11486 O OD1 . ASN D 334 ? 0.7620 0.8573 0.7492 -0.0067 0.0002 -0.0250 401 ASN D OD1 11487 N ND2 . ASN D 334 ? 0.8778 0.9669 0.8615 -0.0086 0.0009 -0.0257 401 ASN D ND2 11488 N N . ASN D 335 ? 0.4771 0.5535 0.4625 -0.0049 -0.0040 -0.0188 402 ASN D N 11489 C CA . ASN D 335 ? 0.5093 0.5808 0.4943 -0.0035 -0.0048 -0.0177 402 ASN D CA 11490 C C . ASN D 335 ? 0.4484 0.5200 0.4341 -0.0037 -0.0059 -0.0162 402 ASN D C 11491 O O . ASN D 335 ? 0.4260 0.4995 0.4114 -0.0058 -0.0062 -0.0156 402 ASN D O 11492 C CB . ASN D 335 ? 0.5451 0.6121 0.5279 -0.0050 -0.0049 -0.0173 402 ASN D CB 11493 C CG . ASN D 335 ? 0.5704 0.6359 0.5523 -0.0043 -0.0038 -0.0188 402 ASN D CG 11494 O OD1 . ASN D 335 ? 0.5292 0.5921 0.5111 -0.0021 -0.0037 -0.0192 402 ASN D OD1 11495 N ND2 . ASN D 335 ? 0.5284 0.5955 0.5093 -0.0062 -0.0031 -0.0197 402 ASN D ND2 11496 N N . TRP D 336 ? 0.4892 0.5584 0.4755 -0.0017 -0.0064 -0.0155 403 TRP D N 11497 C CA . TRP D 336 ? 0.4806 0.5500 0.4676 -0.0017 -0.0074 -0.0142 403 TRP D CA 11498 C C . TRP D 336 ? 0.4573 0.5235 0.4427 -0.0035 -0.0081 -0.0130 403 TRP D C 11499 O O . TRP D 336 ? 0.5685 0.6312 0.5526 -0.0038 -0.0081 -0.0128 403 TRP D O 11500 C CB . TRP D 336 ? 0.5293 0.5974 0.5173 0.0010 -0.0078 -0.0138 403 TRP D CB 11501 C CG . TRP D 336 ? 0.5070 0.5785 0.4966 0.0031 -0.0071 -0.0150 403 TRP D CG 11502 C CD1 . TRP D 336 ? 0.4878 0.5578 0.4774 0.0052 -0.0065 -0.0160 403 TRP D CD1 11503 C CD2 . TRP D 336 ? 0.4729 0.5500 0.4643 0.0032 -0.0069 -0.0154 403 TRP D CD2 11504 N NE1 . TRP D 336 ? 0.5358 0.6103 0.5274 0.0070 -0.0060 -0.0170 403 TRP D NE1 11505 C CE2 . TRP D 336 ? 0.4774 0.5566 0.4700 0.0057 -0.0062 -0.0166 403 TRP D CE2 11506 C CE3 . TRP D 336 ? 0.5156 0.5960 0.5073 0.0013 -0.0074 -0.0148 403 TRP D CE3 11507 C CZ2 . TRP D 336 ? 0.5173 0.6026 0.5119 0.0065 -0.0059 -0.0173 403 TRP D CZ2 11508 C CZ3 . TRP D 336 ? 0.5365 0.6228 0.5300 0.0017 -0.0070 -0.0154 403 TRP D CZ3 11509 C CH2 . TRP D 336 ? 0.5382 0.6272 0.5332 0.0043 -0.0063 -0.0167 403 TRP D CH2 11510 N N . SER D 337 ? 0.4579 0.5253 0.4434 -0.0046 -0.0088 -0.0121 404 SER D N 11511 C CA . SER D 337 ? 0.4781 0.5425 0.4624 -0.0057 -0.0096 -0.0110 404 SER D CA 11512 C C . SER D 337 ? 0.4773 0.5414 0.4624 -0.0046 -0.0104 -0.0101 404 SER D C 11513 O O . SER D 337 ? 0.4850 0.5487 0.4711 -0.0026 -0.0103 -0.0101 404 SER D O 11514 C CB . SER D 337 ? 0.4851 0.5502 0.4682 -0.0083 -0.0099 -0.0108 404 SER D CB 11515 O OG . SER D 337 ? 0.4723 0.5407 0.4558 -0.0090 -0.0100 -0.0109 404 SER D OG 11516 N N . GLY D 338 ? 0.4580 0.5217 0.4424 -0.0057 -0.0110 -0.0093 405 GLY D N 11517 C CA . GLY D 338 ? 0.4536 0.5165 0.4385 -0.0049 -0.0117 -0.0085 405 GLY D CA 11518 C C . GLY D 338 ? 0.4922 0.5536 0.4757 -0.0063 -0.0124 -0.0079 405 GLY D C 11519 O O . GLY D 338 ? 0.4884 0.5500 0.4709 -0.0080 -0.0125 -0.0080 405 GLY D O 11520 N N . TYR D 339 ? 0.4027 0.4625 0.3862 -0.0056 -0.0129 -0.0072 406 TYR D N 11521 C CA . TYR D 339 ? 0.4123 0.4703 0.3945 -0.0064 -0.0135 -0.0067 406 TYR D CA 11522 C C . TYR D 339 ? 0.4371 0.4930 0.4181 -0.0073 -0.0136 -0.0066 406 TYR D C 11523 O O . TYR D 339 ? 0.4466 0.5021 0.4278 -0.0071 -0.0132 -0.0068 406 TYR D O 11524 C CB . TYR D 339 ? 0.4265 0.4834 0.4090 -0.0053 -0.0139 -0.0062 406 TYR D CB 11525 C CG . TYR D 339 ? 0.4315 0.4899 0.4146 -0.0048 -0.0141 -0.0060 406 TYR D CG 11526 C CD1 . TYR D 339 ? 0.4747 0.5358 0.4586 -0.0050 -0.0140 -0.0063 406 TYR D CD1 11527 C CD2 . TYR D 339 ? 0.4630 0.5206 0.4461 -0.0042 -0.0145 -0.0056 406 TYR D CD2 11528 C CE1 . TYR D 339 ? 0.4747 0.5375 0.4592 -0.0047 -0.0142 -0.0061 406 TYR D CE1 11529 C CE2 . TYR D 339 ? 0.4325 0.4916 0.4160 -0.0039 -0.0147 -0.0054 406 TYR D CE2 11530 C CZ . TYR D 339 ? 0.4494 0.5110 0.4336 -0.0042 -0.0147 -0.0056 406 TYR D CZ 11531 O OH . TYR D 339 ? 0.4651 0.5282 0.4496 -0.0041 -0.0150 -0.0054 406 TYR D OH 11532 N N . SER D 340 ? 0.4625 0.5171 0.4422 -0.0083 -0.0141 -0.0063 407 SER D N 11533 C CA . SER D 340 ? 0.4308 0.4833 0.4093 -0.0089 -0.0144 -0.0060 407 SER D CA 11534 C C . SER D 340 ? 0.4394 0.4901 0.4169 -0.0087 -0.0152 -0.0055 407 SER D C 11535 O O . SER D 340 ? 0.4337 0.4845 0.4111 -0.0086 -0.0154 -0.0056 407 SER D O 11536 C CB . SER D 340 ? 0.4371 0.4897 0.4145 -0.0106 -0.0143 -0.0062 407 SER D CB 11537 O OG . SER D 340 ? 0.4497 0.5029 0.4263 -0.0117 -0.0146 -0.0063 407 SER D OG 11538 N N . GLY D 341 ? 0.4200 0.4691 0.3970 -0.0085 -0.0155 -0.0051 408 GLY D N 11539 C CA . GLY D 341 ? 0.4068 0.4541 0.3830 -0.0079 -0.0162 -0.0048 408 GLY D CA 11540 C C . GLY D 341 ? 0.4531 0.4990 0.4285 -0.0080 -0.0167 -0.0043 408 GLY D C 11541 O O . GLY D 341 ? 0.4866 0.5330 0.4622 -0.0085 -0.0164 -0.0041 408 GLY D O 11542 N N . ILE D 342 ? 0.5013 0.5454 0.4757 -0.0073 -0.0174 -0.0041 409 ILE D N 11543 C CA . ILE D 342 ? 0.4257 0.4684 0.3993 -0.0071 -0.0181 -0.0035 409 ILE D CA 11544 C C . ILE D 342 ? 0.4168 0.4605 0.3915 -0.0054 -0.0181 -0.0033 409 ILE D C 11545 O O . ILE D 342 ? 0.5478 0.5925 0.5234 -0.0044 -0.0178 -0.0036 409 ILE D O 11546 C CB . ILE D 342 ? 0.4567 0.4966 0.4282 -0.0073 -0.0190 -0.0034 409 ILE D CB 11547 C CG1 . ILE D 342 ? 0.5063 0.5444 0.4766 -0.0075 -0.0198 -0.0027 409 ILE D CG1 11548 C CG2 . ILE D 342 ? 0.5256 0.5644 0.4969 -0.0058 -0.0192 -0.0037 409 ILE D CG2 11549 C CD1 . ILE D 342 ? 0.5710 0.6055 0.5387 -0.0082 -0.0208 -0.0025 409 ILE D CD1 11550 N N . PHE D 343 ? 0.4466 0.4905 0.4213 -0.0053 -0.0185 -0.0027 410 PHE D N 11551 C CA . PHE D 343 ? 0.4533 0.4981 0.4287 -0.0038 -0.0188 -0.0025 410 PHE D CA 11552 C C . PHE D 343 ? 0.4672 0.5109 0.4416 -0.0036 -0.0197 -0.0018 410 PHE D C 11553 O O . PHE D 343 ? 0.4948 0.5373 0.4682 -0.0051 -0.0200 -0.0014 410 PHE D O 11554 C CB . PHE D 343 ? 0.4843 0.5319 0.4612 -0.0037 -0.0181 -0.0024 410 PHE D CB 11555 C CG . PHE D 343 ? 0.4452 0.4934 0.4221 -0.0051 -0.0179 -0.0020 410 PHE D CG 11556 C CD1 . PHE D 343 ? 0.4674 0.5169 0.4445 -0.0051 -0.0182 -0.0014 410 PHE D CD1 11557 C CD2 . PHE D 343 ? 0.4331 0.4809 0.4098 -0.0064 -0.0173 -0.0024 410 PHE D CD2 11558 C CE1 . PHE D 343 ? 0.4533 0.5033 0.4301 -0.0066 -0.0179 -0.0011 410 PHE D CE1 11559 C CE2 . PHE D 343 ? 0.4565 0.5047 0.4329 -0.0077 -0.0170 -0.0022 410 PHE D CE2 11560 C CZ . PHE D 343 ? 0.4894 0.5386 0.4658 -0.0079 -0.0173 -0.0016 410 PHE D CZ 11561 N N . SER D 344 ? 0.4349 0.4792 0.4098 -0.0019 -0.0201 -0.0016 411 SER D N 11562 C CA . SER D 344 ? 0.4552 0.4984 0.4293 -0.0012 -0.0212 -0.0009 411 SER D CA 11563 C C . SER D 344 ? 0.4884 0.5348 0.4638 -0.0004 -0.0213 -0.0004 411 SER D C 11564 O O . SER D 344 ? 0.4299 0.4791 0.4068 0.0002 -0.0207 -0.0007 411 SER D O 11565 C CB . SER D 344 ? 0.4108 0.4513 0.3836 0.0004 -0.0219 -0.0012 411 SER D CB 11566 O OG . SER D 344 ? 0.4571 0.4945 0.4283 -0.0006 -0.0219 -0.0016 411 SER D OG 11567 N N . VAL D 345 ? 0.4683 0.5144 0.4431 -0.0007 -0.0221 0.0004 412 VAL D N 11568 C CA . VAL D 345 ? 0.4778 0.5272 0.4538 -0.0004 -0.0223 0.0011 412 VAL D CA 11569 C C . VAL D 345 ? 0.4867 0.5355 0.4621 0.0011 -0.0236 0.0019 412 VAL D C 11570 O O . VAL D 345 ? 0.5283 0.5740 0.5020 0.0005 -0.0245 0.0024 412 VAL D O 11571 C CB . VAL D 345 ? 0.5551 0.6055 0.5309 -0.0029 -0.0219 0.0015 412 VAL D CB 11572 C CG1 . VAL D 345 ? 0.6526 0.7065 0.6293 -0.0030 -0.0222 0.0023 412 VAL D CG1 11573 C CG2 . VAL D 345 ? 0.5920 0.6431 0.5683 -0.0040 -0.0207 0.0008 412 VAL D CG2 11574 N N . GLU D 346 ? 0.4853 0.5371 0.4621 0.0030 -0.0238 0.0020 413 GLU D N 11575 C CA . GLU D 346 ? 0.5950 0.6467 0.5717 0.0051 -0.0251 0.0026 413 GLU D CA 11576 C C . GLU D 346 ? 0.5706 0.6247 0.5475 0.0039 -0.0257 0.0039 413 GLU D C 11577 O O . GLU D 346 ? 0.5898 0.6482 0.5681 0.0034 -0.0252 0.0041 413 GLU D O 11578 C CB . GLU D 346 ? 0.6078 0.6624 0.5860 0.0080 -0.0250 0.0021 413 GLU D CB 11579 C CG . GLU D 346 ? 0.8170 0.8706 0.7948 0.0107 -0.0264 0.0025 413 GLU D CG 11580 C CD . GLU D 346 ? 0.8899 0.9447 0.8686 0.0140 -0.0263 0.0015 413 GLU D CD 11581 O OE1 . GLU D 346 ? 0.9256 0.9818 0.9051 0.0141 -0.0252 0.0004 413 GLU D OE1 11582 O OE2 . GLU D 346 ? 0.8757 0.9296 0.8541 0.0167 -0.0275 0.0018 413 GLU D OE2 11583 N N . GLY D 347 ? 0.5287 0.5799 0.5039 0.0034 -0.0268 0.0048 414 GLY D N 11584 C CA . GLY D 347 ? 0.5829 0.6364 0.5583 0.0026 -0.0277 0.0061 414 GLY D CA 11585 C C . GLY D 347 ? 0.6132 0.6679 0.5891 0.0056 -0.0290 0.0068 414 GLY D C 11586 O O . GLY D 347 ? 0.6810 0.7353 0.6575 0.0084 -0.0291 0.0060 414 GLY D O 11587 N N . LYS D 348 ? 0.7107 0.7669 0.6865 0.0052 -0.0301 0.0082 415 LYS D N 11588 C CA . LYS D 348 ? 0.7526 0.8106 0.7291 0.0084 -0.0316 0.0090 415 LYS D CA 11589 C C . LYS D 348 ? 0.6777 0.7298 0.6523 0.0107 -0.0329 0.0090 415 LYS D C 11590 O O . LYS D 348 ? 0.6263 0.6786 0.6016 0.0142 -0.0334 0.0087 415 LYS D O 11591 C CB . LYS D 348 ? 0.9084 0.9699 0.8853 0.0072 -0.0325 0.0106 415 LYS D CB 11592 C CG . LYS D 348 ? 1.1331 1.2012 1.1125 0.0094 -0.0328 0.0111 415 LYS D CG 11593 C CD . LYS D 348 ? 1.2932 1.3652 1.2729 0.0075 -0.0336 0.0127 415 LYS D CD 11594 C CE . LYS D 348 ? 1.3799 1.4589 1.3620 0.0097 -0.0342 0.0133 415 LYS D CE 11595 N NZ . LYS D 348 ? 1.4075 1.4926 1.3913 0.0077 -0.0328 0.0130 415 LYS D NZ 11596 N N A SER D 349 ? 0.6256 0.6724 0.5976 0.0085 -0.0332 0.0093 416 SER D N 11597 N N B SER D 349 ? 0.6280 0.6747 0.5999 0.0086 -0.0333 0.0094 416 SER D N 11598 C CA A SER D 349 ? 0.6165 0.6571 0.5860 0.0101 -0.0346 0.0095 416 SER D CA 11599 C CA B SER D 349 ? 0.6146 0.6550 0.5840 0.0102 -0.0346 0.0095 416 SER D CA 11600 C C A SER D 349 ? 0.6375 0.6729 0.6049 0.0089 -0.0339 0.0084 416 SER D C 11601 C C B SER D 349 ? 0.6293 0.6647 0.5969 0.0090 -0.0339 0.0083 416 SER D C 11602 O O A SER D 349 ? 0.6250 0.6550 0.5902 0.0102 -0.0349 0.0083 416 SER D O 11603 O O B SER D 349 ? 0.6169 0.6470 0.5823 0.0105 -0.0348 0.0081 416 SER D O 11604 C CB A SER D 349 ? 0.6108 0.6489 0.5781 0.0087 -0.0363 0.0113 416 SER D CB 11605 C CB B SER D 349 ? 0.6040 0.6417 0.5713 0.0090 -0.0364 0.0112 416 SER D CB 11606 O OG A SER D 349 ? 0.6254 0.6643 0.5922 0.0046 -0.0355 0.0116 416 SER D OG 11607 O OG B SER D 349 ? 0.6099 0.6524 0.5788 0.0100 -0.0372 0.0124 416 SER D OG 11608 N N . CYS D 350 ? 0.6120 0.6489 0.5801 0.0064 -0.0322 0.0075 417 CYS D N 11609 C CA . CYS D 350 ? 0.6280 0.6608 0.5944 0.0051 -0.0316 0.0065 417 CYS D CA 11610 C C . CYS D 350 ? 0.5876 0.6233 0.5558 0.0039 -0.0297 0.0052 417 CYS D C 11611 O O . CYS D 350 ? 0.5741 0.6147 0.5445 0.0035 -0.0288 0.0052 417 CYS D O 11612 C CB . CYS D 350 ? 0.6680 0.6968 0.6316 0.0021 -0.0323 0.0073 417 CYS D CB 11613 S SG . CYS D 350 ? 0.7197 0.7523 0.6840 -0.0015 -0.0316 0.0079 417 CYS D SG 11614 N N . ILE D 351 ? 0.5477 0.5803 0.5147 0.0034 -0.0291 0.0042 418 ILE D N 11615 C CA . ILE D 351 ? 0.5565 0.5912 0.5250 0.0026 -0.0275 0.0031 418 ILE D CA 11616 C C . ILE D 351 ? 0.4839 0.5178 0.4514 -0.0007 -0.0269 0.0030 418 ILE D C 11617 O O . ILE D 351 ? 0.4633 0.4931 0.4283 -0.0019 -0.0274 0.0032 418 ILE D O 11618 C CB . ILE D 351 ? 0.5224 0.5546 0.4902 0.0041 -0.0272 0.0019 418 ILE D CB 11619 C CG1 . ILE D 351 ? 0.5610 0.5934 0.5294 0.0076 -0.0278 0.0016 418 ILE D CG1 11620 C CG2 . ILE D 351 ? 0.5048 0.5395 0.4742 0.0032 -0.0256 0.0008 418 ILE D CG2 11621 C CD1 . ILE D 351 ? 0.5543 0.5926 0.5257 0.0090 -0.0273 0.0017 418 ILE D CD1 11622 N N . ASN D 352 ? 0.4281 0.4656 0.3972 -0.0021 -0.0258 0.0029 419 ASN D N 11623 C CA . ASN D 352 ? 0.4428 0.4801 0.4113 -0.0050 -0.0250 0.0027 419 ASN D CA 11624 C C . ASN D 352 ? 0.4802 0.5178 0.4494 -0.0053 -0.0238 0.0015 419 ASN D C 11625 O O . ASN D 352 ? 0.4857 0.5246 0.4563 -0.0035 -0.0233 0.0009 419 ASN D O 11626 C CB . ASN D 352 ? 0.4335 0.4740 0.4029 -0.0064 -0.0246 0.0032 419 ASN D CB 11627 C CG . ASN D 352 ? 0.4493 0.4892 0.4176 -0.0094 -0.0242 0.0032 419 ASN D CG 11628 O OD1 . ASN D 352 ? 0.5083 0.5455 0.4747 -0.0106 -0.0245 0.0031 419 ASN D OD1 11629 N ND2 . ASN D 352 ? 0.4534 0.4960 0.4226 -0.0107 -0.0233 0.0030 419 ASN D ND2 11630 N N . ARG D 353 ? 0.4847 0.5209 0.4526 -0.0074 -0.0234 0.0012 420 ARG D N 11631 C CA . ARG D 353 ? 0.4948 0.5315 0.4633 -0.0079 -0.0224 0.0002 420 ARG D CA 11632 C C . ARG D 353 ? 0.5056 0.5448 0.4751 -0.0096 -0.0212 0.0000 420 ARG D C 11633 O O . ARG D 353 ? 0.4838 0.5230 0.4524 -0.0114 -0.0214 0.0003 420 ARG D O 11634 C CB . ARG D 353 ? 0.5244 0.5580 0.4907 -0.0091 -0.0228 0.0000 420 ARG D CB 11635 C CG . ARG D 353 ? 0.5537 0.5835 0.5181 -0.0078 -0.0240 0.0003 420 ARG D CG 11636 C CD . ARG D 353 ? 0.5671 0.5972 0.5327 -0.0051 -0.0239 -0.0002 420 ARG D CD 11637 N NE . ARG D 353 ? 0.5126 0.5385 0.4759 -0.0039 -0.0251 0.0000 420 ARG D NE 11638 C CZ . ARG D 353 ? 0.5328 0.5582 0.4966 -0.0012 -0.0253 -0.0004 420 ARG D CZ 11639 N NH1 . ARG D 353 ? 0.5308 0.5597 0.4971 0.0002 -0.0244 -0.0010 420 ARG D NH1 11640 N NH2 . ARG D 353 ? 0.5073 0.5282 0.4686 -0.0003 -0.0265 -0.0003 420 ARG D NH2 11641 N N . CYS D 354 ? 0.4605 0.5018 0.4318 -0.0089 -0.0202 -0.0007 421 CYS D N 11642 C CA . CYS D 354 ? 0.4486 0.4918 0.4207 -0.0101 -0.0192 -0.0012 421 CYS D CA 11643 C C . CYS D 354 ? 0.4629 0.5065 0.4357 -0.0099 -0.0184 -0.0021 421 CYS D C 11644 O O . CYS D 354 ? 0.4912 0.5340 0.4640 -0.0089 -0.0186 -0.0023 421 CYS D O 11645 C CB . CYS D 354 ? 0.5090 0.5543 0.4825 -0.0093 -0.0188 -0.0010 421 CYS D CB 11646 S SG . CYS D 354 ? 0.5211 0.5671 0.4942 -0.0094 -0.0198 0.0000 421 CYS D SG 11647 N N . PHE D 355 ? 0.4277 0.4727 0.4011 -0.0109 -0.0174 -0.0026 422 PHE D N 11648 C CA . PHE D 355 ? 0.4244 0.4702 0.3986 -0.0105 -0.0167 -0.0034 422 PHE D CA 11649 C C . PHE D 355 ? 0.3970 0.4443 0.3724 -0.0105 -0.0158 -0.0038 422 PHE D C 11650 O O . PHE D 355 ? 0.4295 0.4770 0.4046 -0.0112 -0.0156 -0.0037 422 PHE D O 11651 C CB . PHE D 355 ? 0.4434 0.4888 0.4166 -0.0118 -0.0168 -0.0037 422 PHE D CB 11652 C CG . PHE D 355 ? 0.4570 0.5031 0.4296 -0.0136 -0.0164 -0.0039 422 PHE D CG 11653 C CD1 . PHE D 355 ? 0.4783 0.5231 0.4492 -0.0149 -0.0170 -0.0034 422 PHE D CD1 11654 C CD2 . PHE D 355 ? 0.4697 0.5178 0.4433 -0.0139 -0.0153 -0.0048 422 PHE D CD2 11655 C CE1 . PHE D 355 ? 0.4669 0.5127 0.4372 -0.0168 -0.0166 -0.0036 422 PHE D CE1 11656 C CE2 . PHE D 355 ? 0.4954 0.5444 0.4684 -0.0154 -0.0148 -0.0052 422 PHE D CE2 11657 C CZ . PHE D 355 ? 0.4868 0.5347 0.4580 -0.0170 -0.0154 -0.0046 422 PHE D CZ 11658 N N . TYR D 356 ? 0.4180 0.4661 0.3944 -0.0096 -0.0153 -0.0043 423 TYR D N 11659 C CA . TYR D 356 ? 0.4285 0.4776 0.4058 -0.0093 -0.0145 -0.0048 423 TYR D CA 11660 C C . TYR D 356 ? 0.4044 0.4545 0.3822 -0.0094 -0.0140 -0.0055 423 TYR D C 11661 O O . TYR D 356 ? 0.4141 0.4644 0.3917 -0.0094 -0.0143 -0.0055 423 TYR D O 11662 C CB . TYR D 356 ? 0.4687 0.5179 0.4469 -0.0080 -0.0145 -0.0045 423 TYR D CB 11663 C CG . TYR D 356 ? 0.4712 0.5208 0.4500 -0.0070 -0.0147 -0.0046 423 TYR D CG 11664 C CD1 . TYR D 356 ? 0.4520 0.5011 0.4305 -0.0065 -0.0153 -0.0042 423 TYR D CD1 11665 C CD2 . TYR D 356 ? 0.4419 0.4923 0.4214 -0.0065 -0.0143 -0.0050 423 TYR D CD2 11666 C CE1 . TYR D 356 ? 0.4680 0.5173 0.4468 -0.0058 -0.0155 -0.0043 423 TYR D CE1 11667 C CE2 . TYR D 356 ? 0.4935 0.5444 0.4734 -0.0059 -0.0145 -0.0050 423 TYR D CE2 11668 C CZ . TYR D 356 ? 0.5041 0.5543 0.4836 -0.0056 -0.0151 -0.0047 423 TYR D CZ 11669 O OH . TYR D 356 ? 0.5109 0.5615 0.4905 -0.0051 -0.0153 -0.0048 423 TYR D OH 11670 N N . VAL D 357 ? 0.4599 0.5107 0.4381 -0.0093 -0.0132 -0.0061 424 VAL D N 11671 C CA . VAL D 357 ? 0.4380 0.4904 0.4171 -0.0090 -0.0127 -0.0068 424 VAL D CA 11672 C C . VAL D 357 ? 0.4241 0.4765 0.4041 -0.0075 -0.0123 -0.0071 424 VAL D C 11673 O O . VAL D 357 ? 0.4008 0.4522 0.3805 -0.0075 -0.0119 -0.0072 424 VAL D O 11674 C CB . VAL D 357 ? 0.4461 0.4997 0.4247 -0.0102 -0.0121 -0.0076 424 VAL D CB 11675 C CG1 . VAL D 357 ? 0.4436 0.4996 0.4233 -0.0098 -0.0117 -0.0083 424 VAL D CG1 11676 C CG2 . VAL D 357 ? 0.4503 0.5034 0.4275 -0.0120 -0.0127 -0.0072 424 VAL D CG2 11677 N N . GLU D 358 ? 0.3998 0.4533 0.3809 -0.0064 -0.0124 -0.0071 425 GLU D N 11678 C CA . GLU D 358 ? 0.3927 0.4461 0.3746 -0.0049 -0.0121 -0.0072 425 GLU D CA 11679 C C . GLU D 358 ? 0.4547 0.5095 0.4371 -0.0046 -0.0114 -0.0082 425 GLU D C 11680 O O . GLU D 358 ? 0.5286 0.5857 0.5115 -0.0051 -0.0112 -0.0086 425 GLU D O 11681 C CB . GLU D 358 ? 0.3804 0.4349 0.3632 -0.0041 -0.0126 -0.0068 425 GLU D CB 11682 C CG . GLU D 358 ? 0.4110 0.4653 0.3946 -0.0026 -0.0126 -0.0067 425 GLU D CG 11683 C CD . GLU D 358 ? 0.4715 0.5274 0.4560 -0.0019 -0.0130 -0.0063 425 GLU D CD 11684 O OE1 . GLU D 358 ? 0.4360 0.4938 0.4207 -0.0025 -0.0130 -0.0065 425 GLU D OE1 11685 O OE2 . GLU D 358 ? 0.4817 0.5371 0.4665 -0.0009 -0.0133 -0.0058 425 GLU D OE2 11686 N N . LEU D 359 ? 0.4640 0.5175 0.4462 -0.0038 -0.0109 -0.0086 426 LEU D N 11687 C CA . LEU D 359 ? 0.4518 0.5064 0.4345 -0.0031 -0.0102 -0.0097 426 LEU D CA 11688 C C . LEU D 359 ? 0.4686 0.5229 0.4522 -0.0009 -0.0103 -0.0097 426 LEU D C 11689 O O . LEU D 359 ? 0.4363 0.4878 0.4191 -0.0002 -0.0104 -0.0095 426 LEU D O 11690 C CB . LEU D 359 ? 0.4183 0.4709 0.3997 -0.0038 -0.0096 -0.0103 426 LEU D CB 11691 C CG . LEU D 359 ? 0.4409 0.4932 0.4211 -0.0059 -0.0098 -0.0100 426 LEU D CG 11692 C CD1 . LEU D 359 ? 0.4647 0.5151 0.4434 -0.0068 -0.0094 -0.0103 426 LEU D CD1 11693 C CD2 . LEU D 359 ? 0.4800 0.5350 0.4605 -0.0070 -0.0096 -0.0103 426 LEU D CD2 11694 N N . ILE D 360 ? 0.4481 0.5052 0.4332 0.0000 -0.0104 -0.0098 427 ILE D N 11695 C CA . ILE D 360 ? 0.4405 0.4976 0.4265 0.0019 -0.0107 -0.0095 427 ILE D CA 11696 C C . ILE D 360 ? 0.4370 0.4942 0.4235 0.0036 -0.0101 -0.0105 427 ILE D C 11697 O O . ILE D 360 ? 0.4988 0.5589 0.4860 0.0036 -0.0094 -0.0116 427 ILE D O 11698 C CB . ILE D 360 ? 0.4943 0.5549 0.4818 0.0020 -0.0111 -0.0091 427 ILE D CB 11699 C CG1 . ILE D 360 ? 0.4693 0.5295 0.4562 0.0005 -0.0117 -0.0082 427 ILE D CG1 11700 C CG2 . ILE D 360 ? 0.4730 0.5339 0.4615 0.0041 -0.0116 -0.0087 427 ILE D CG2 11701 C CD1 . ILE D 360 ? 0.4743 0.5376 0.4620 0.0001 -0.0120 -0.0080 427 ILE D CD1 11702 N N . ARG D 361 ? 0.4087 0.4629 0.3946 0.0052 -0.0103 -0.0103 428 ARG D N 11703 C CA . ARG D 361 ? 0.3970 0.4508 0.3833 0.0074 -0.0099 -0.0113 428 ARG D CA 11704 C C . ARG D 361 ? 0.4608 0.5145 0.4480 0.0096 -0.0107 -0.0105 428 ARG D C 11705 O O . ARG D 361 ? 0.4312 0.4836 0.4180 0.0093 -0.0115 -0.0092 428 ARG D O 11706 C CB . ARG D 361 ? 0.4364 0.4856 0.4205 0.0073 -0.0095 -0.0118 428 ARG D CB 11707 C CG . ARG D 361 ? 0.4403 0.4892 0.4231 0.0050 -0.0089 -0.0123 428 ARG D CG 11708 C CD . ARG D 361 ? 0.4800 0.5329 0.4640 0.0047 -0.0080 -0.0137 428 ARG D CD 11709 N NE . ARG D 361 ? 0.4599 0.5133 0.4444 0.0070 -0.0073 -0.0151 428 ARG D NE 11710 C CZ . ARG D 361 ? 0.5034 0.5549 0.4866 0.0072 -0.0064 -0.0164 428 ARG D CZ 11711 N NH1 . ARG D 361 ? 0.5563 0.6050 0.5373 0.0051 -0.0061 -0.0165 428 ARG D NH1 11712 N NH2 . ARG D 361 ? 0.4972 0.5495 0.4811 0.0097 -0.0058 -0.0177 428 ARG D NH2 11713 N N . GLY D 362 ? 0.4575 0.5126 0.4458 0.0120 -0.0103 -0.0114 429 GLY D N 11714 C CA . GLY D 362 ? 0.4568 0.5120 0.4460 0.0144 -0.0111 -0.0108 429 GLY D CA 11715 C C . GLY D 362 ? 0.4732 0.5342 0.4649 0.0147 -0.0113 -0.0105 429 GLY D C 11716 O O . GLY D 362 ? 0.5169 0.5822 0.5097 0.0139 -0.0106 -0.0114 429 GLY D O 11717 N N . ARG D 363 ? 0.5082 0.5695 0.5004 0.0155 -0.0124 -0.0092 430 ARG D N 11718 C CA . ARG D 363 ? 0.5007 0.5676 0.4952 0.0159 -0.0127 -0.0089 430 ARG D CA 11719 C C . ARG D 363 ? 0.4861 0.5554 0.4806 0.0130 -0.0126 -0.0086 430 ARG D C 11720 O O . ARG D 363 ? 0.5098 0.5760 0.5027 0.0112 -0.0128 -0.0080 430 ARG D O 11721 C CB . ARG D 363 ? 0.5320 0.5983 0.5269 0.0174 -0.0139 -0.0074 430 ARG D CB 11722 C CG . ARG D 363 ? 0.5224 0.5858 0.5170 0.0205 -0.0143 -0.0074 430 ARG D CG 11723 C CD . ARG D 363 ? 0.6196 0.6878 0.6165 0.0230 -0.0139 -0.0085 430 ARG D CD 11724 N NE . ARG D 363 ? 0.7354 0.8009 0.7322 0.0264 -0.0142 -0.0088 430 ARG D NE 11725 C CZ . ARG D 363 ? 0.6682 0.7355 0.6664 0.0291 -0.0151 -0.0081 430 ARG D CZ 11726 N NH1 . ARG D 363 ? 0.6540 0.7265 0.6541 0.0284 -0.0157 -0.0072 430 ARG D NH1 11727 N NH2 . ARG D 363 ? 0.7230 0.7871 0.7208 0.0324 -0.0154 -0.0085 430 ARG D NH2 11728 N N . PRO D 364 ? 0.5189 0.5938 0.5150 0.0125 -0.0124 -0.0089 431 PRO D N 11729 C CA . PRO D 364 ? 0.5706 0.6504 0.5690 0.0146 -0.0123 -0.0094 431 PRO D CA 11730 C C . PRO D 364 ? 0.5764 0.6583 0.5754 0.0154 -0.0111 -0.0111 431 PRO D C 11731 O O . PRO D 364 ? 0.6281 0.7135 0.6289 0.0178 -0.0109 -0.0118 431 PRO D O 11732 C CB . PRO D 364 ? 0.5431 0.6279 0.5425 0.0129 -0.0126 -0.0089 431 PRO D CB 11733 C CG . PRO D 364 ? 0.5362 0.6192 0.5338 0.0097 -0.0123 -0.0089 431 PRO D CG 11734 C CD . PRO D 364 ? 0.4594 0.5361 0.4551 0.0096 -0.0124 -0.0086 431 PRO D CD 11735 N N . GLN D 365 ? 0.5895 0.6694 0.5871 0.0135 -0.0103 -0.0119 432 GLN D N 11736 C CA . GLN D 365 ? 0.5857 0.6683 0.5838 0.0138 -0.0092 -0.0136 432 GLN D CA 11737 C C . GLN D 365 ? 0.5890 0.6692 0.5870 0.0166 -0.0087 -0.0147 432 GLN D C 11738 O O . GLN D 365 ? 0.5757 0.6595 0.5748 0.0179 -0.0078 -0.0161 432 GLN D O 11739 C CB . GLN D 365 ? 0.6885 0.7698 0.6849 0.0107 -0.0086 -0.0140 432 GLN D CB 11740 C CG . GLN D 365 ? 0.8545 0.9386 0.8508 0.0077 -0.0089 -0.0133 432 GLN D CG 11741 C CD . GLN D 365 ? 0.9258 1.0170 0.9239 0.0075 -0.0087 -0.0137 432 GLN D CD 11742 O OE1 . GLN D 365 ? 1.0207 1.1157 1.0202 0.0090 -0.0079 -0.0150 432 GLN D OE1 11743 N NE2 . GLN D 365 ? 0.9134 1.0064 0.9114 0.0055 -0.0093 -0.0128 432 GLN D NE2 11744 N N . GLU D 366 ? 0.5604 0.6345 0.5568 0.0176 -0.0092 -0.0141 433 GLU D N 11745 C CA . GLU D 366 ? 0.5386 0.6090 0.5342 0.0201 -0.0088 -0.0151 433 GLU D CA 11746 C C . GLU D 366 ? 0.5455 0.6134 0.5413 0.0229 -0.0098 -0.0142 433 GLU D C 11747 O O . GLU D 366 ? 0.7186 0.7818 0.7128 0.0223 -0.0107 -0.0128 433 GLU D O 11748 C CB . GLU D 366 ? 0.5438 0.6085 0.5366 0.0182 -0.0084 -0.0153 433 GLU D CB 11749 C CG . GLU D 366 ? 0.5589 0.6262 0.5514 0.0155 -0.0074 -0.0163 433 GLU D CG 11750 C CD . GLU D 366 ? 0.6780 0.7402 0.6678 0.0133 -0.0072 -0.0162 433 GLU D CD 11751 O OE1 . GLU D 366 ? 0.5483 0.6096 0.5372 0.0132 -0.0062 -0.0177 433 GLU D OE1 11752 O OE2 . GLU D 366 ? 0.5733 0.6327 0.5620 0.0115 -0.0079 -0.0148 433 GLU D OE2 11753 N N . THR D 367 ? 0.6311 0.7021 0.6287 0.0261 -0.0098 -0.0148 434 THR D N 11754 C CA . THR D 367 ? 0.6571 0.7269 0.6554 0.0289 -0.0110 -0.0137 434 THR D CA 11755 C C . THR D 367 ? 0.6162 0.6797 0.6127 0.0319 -0.0112 -0.0142 434 THR D C 11756 O O . THR D 367 ? 0.5457 0.6072 0.5422 0.0343 -0.0124 -0.0132 434 THR D O 11757 C CB . THR D 367 ? 0.6393 0.7167 0.6409 0.0309 -0.0112 -0.0138 434 THR D CB 11758 O OG1 . THR D 367 ? 0.6194 0.7003 0.6222 0.0327 -0.0099 -0.0159 434 THR D OG1 11759 C CG2 . THR D 367 ? 0.6367 0.7195 0.6395 0.0279 -0.0113 -0.0130 434 THR D CG2 11760 N N . ARG D 368 ? 0.6060 0.6660 0.6007 0.0316 -0.0102 -0.0157 435 ARG D N 11761 C CA . ARG D 368 ? 0.6111 0.6639 0.6034 0.0339 -0.0105 -0.0160 435 ARG D CA 11762 C C . ARG D 368 ? 0.6133 0.6597 0.6030 0.0324 -0.0118 -0.0140 435 ARG D C 11763 O O . ARG D 368 ? 0.6181 0.6591 0.6061 0.0345 -0.0127 -0.0135 435 ARG D O 11764 C CB . ARG D 368 ? 0.6516 0.7017 0.6420 0.0333 -0.0091 -0.0180 435 ARG D CB 11765 C CG . ARG D 368 ? 0.6872 0.7284 0.6741 0.0344 -0.0095 -0.0181 435 ARG D CG 11766 C CD . ARG D 368 ? 0.7173 0.7553 0.7019 0.0339 -0.0082 -0.0201 435 ARG D CD 11767 N NE . ARG D 368 ? 0.7552 0.7845 0.7364 0.0355 -0.0088 -0.0201 435 ARG D NE 11768 C CZ . ARG D 368 ? 0.7633 0.7859 0.7410 0.0331 -0.0095 -0.0189 435 ARG D CZ 11769 N NH1 . ARG D 368 ? 0.7565 0.7799 0.7337 0.0290 -0.0096 -0.0177 435 ARG D NH1 11770 N NH2 . ARG D 368 ? 0.8244 0.8394 0.7989 0.0347 -0.0101 -0.0189 435 ARG D NH2 11771 N N . VAL D 369 ? 0.5711 0.6182 0.5604 0.0289 -0.0120 -0.0129 436 VAL D N 11772 C CA . VAL D 369 ? 0.5720 0.6141 0.5591 0.0273 -0.0132 -0.0110 436 VAL D CA 11773 C C . VAL D 369 ? 0.5249 0.5708 0.5138 0.0268 -0.0142 -0.0093 436 VAL D C 11774 O O . VAL D 369 ? 0.5884 0.6406 0.5800 0.0269 -0.0139 -0.0096 436 VAL D O 11775 C CB . VAL D 369 ? 0.5550 0.5945 0.5399 0.0235 -0.0127 -0.0109 436 VAL D CB 11776 C CG1 . VAL D 369 ? 0.6065 0.6422 0.5894 0.0236 -0.0117 -0.0126 436 VAL D CG1 11777 C CG2 . VAL D 369 ? 0.4823 0.5273 0.4690 0.0210 -0.0122 -0.0109 436 VAL D CG2 11778 N N . TRP D 370 ? 0.5142 0.5562 0.5013 0.0259 -0.0154 -0.0076 437 TRP D N 11779 C CA . TRP D 370 ? 0.5315 0.5764 0.5199 0.0253 -0.0165 -0.0059 437 TRP D CA 11780 C C . TRP D 370 ? 0.5007 0.5458 0.4883 0.0217 -0.0165 -0.0050 437 TRP D C 11781 O O . TRP D 370 ? 0.5199 0.5674 0.5083 0.0209 -0.0173 -0.0038 437 TRP D O 11782 C CB . TRP D 370 ? 0.6129 0.6534 0.5999 0.0273 -0.0180 -0.0045 437 TRP D CB 11783 C CG . TRP D 370 ? 0.7111 0.7523 0.6993 0.0312 -0.0182 -0.0051 437 TRP D CG 11784 C CD1 . TRP D 370 ? 0.7934 0.8304 0.7802 0.0335 -0.0178 -0.0064 437 TRP D CD1 11785 C CD2 . TRP D 370 ? 0.8313 0.8780 0.8224 0.0334 -0.0188 -0.0047 437 TRP D CD2 11786 N NE1 . TRP D 370 ? 0.8261 0.8657 0.8150 0.0373 -0.0181 -0.0068 437 TRP D NE1 11787 C CE2 . TRP D 370 ? 0.8685 0.9144 0.8602 0.0373 -0.0187 -0.0057 437 TRP D CE2 11788 C CE3 . TRP D 370 ? 0.9205 0.9731 0.9139 0.0325 -0.0193 -0.0036 437 TRP D CE3 11789 C CZ2 . TRP D 370 ? 0.9951 1.0462 0.9897 0.0405 -0.0192 -0.0056 437 TRP D CZ2 11790 C CZ3 . TRP D 370 ? 1.0209 1.0786 1.0170 0.0352 -0.0198 -0.0035 437 TRP D CZ3 11791 C CH2 . TRP D 370 ? 1.0500 1.1071 1.0468 0.0393 -0.0198 -0.0044 437 TRP D CH2 11792 N N . TRP D 371 ? 0.5085 0.5513 0.4944 0.0196 -0.0157 -0.0057 438 TRP D N 11793 C CA . TRP D 371 ? 0.4877 0.5302 0.4727 0.0165 -0.0157 -0.0050 438 TRP D CA 11794 C C . TRP D 371 ? 0.6167 0.6626 0.6025 0.0139 -0.0152 -0.0051 438 TRP D C 11795 O O . TRP D 371 ? 0.8582 0.9029 0.8429 0.0120 -0.0157 -0.0040 438 TRP D O 11796 C CB . TRP D 371 ? 0.4843 0.5211 0.4662 0.0151 -0.0157 -0.0049 438 TRP D CB 11797 C CG . TRP D 371 ? 0.5332 0.5675 0.5140 0.0157 -0.0149 -0.0063 438 TRP D CG 11798 C CD1 . TRP D 371 ? 0.5159 0.5453 0.4949 0.0175 -0.0151 -0.0066 438 TRP D CD1 11799 C CD2 . TRP D 371 ? 0.4670 0.5029 0.4481 0.0145 -0.0136 -0.0077 438 TRP D CD2 11800 N NE1 . TRP D 371 ? 0.5445 0.5725 0.5226 0.0175 -0.0140 -0.0082 438 TRP D NE1 11801 C CE2 . TRP D 371 ? 0.5149 0.5470 0.4944 0.0156 -0.0131 -0.0088 438 TRP D CE2 11802 C CE3 . TRP D 371 ? 0.4482 0.4879 0.4305 0.0125 -0.0130 -0.0080 438 TRP D CE3 11803 C CZ2 . TRP D 371 ? 0.5067 0.5393 0.4858 0.0146 -0.0119 -0.0103 438 TRP D CZ2 11804 C CZ3 . TRP D 371 ? 0.4631 0.5031 0.4451 0.0116 -0.0119 -0.0093 438 TRP D CZ3 11805 C CH2 . TRP D 371 ? 0.4649 0.5015 0.4453 0.0126 -0.0114 -0.0104 438 TRP D CH2 11806 N N . THR D 372 ? 0.5014 0.5507 0.4885 0.0135 -0.0143 -0.0061 439 THR D N 11807 C CA . THR D 372 ? 0.4630 0.5142 0.4502 0.0107 -0.0140 -0.0060 439 THR D CA 11808 C C . THR D 372 ? 0.4493 0.4974 0.4345 0.0085 -0.0140 -0.0056 439 THR D C 11809 O O . THR D 372 ? 0.4626 0.5090 0.4468 0.0078 -0.0147 -0.0045 439 THR D O 11810 C CB . THR D 372 ? 0.4801 0.5355 0.4689 0.0101 -0.0144 -0.0055 439 THR D CB 11811 O OG1 . THR D 372 ? 0.4331 0.4920 0.4237 0.0119 -0.0144 -0.0058 439 THR D OG1 11812 C CG2 . THR D 372 ? 0.4850 0.5425 0.4739 0.0080 -0.0137 -0.0061 439 THR D CG2 11813 N N . SER D 373 ? 0.4474 0.4953 0.4321 0.0073 -0.0132 -0.0065 440 SER D N 11814 C CA . SER D 373 ? 0.4528 0.4984 0.4358 0.0052 -0.0132 -0.0061 440 SER D CA 11815 C C . SER D 373 ? 0.4953 0.5425 0.4785 0.0039 -0.0124 -0.0070 440 SER D C 11816 O O . SER D 373 ? 0.5488 0.5988 0.5333 0.0043 -0.0120 -0.0078 440 SER D O 11817 C CB . SER D 373 ? 0.4497 0.4907 0.4305 0.0052 -0.0133 -0.0059 440 SER D CB 11818 O OG . SER D 373 ? 0.4159 0.4553 0.3951 0.0032 -0.0136 -0.0052 440 SER D OG 11819 N N . ASN D 374 ? 0.4550 0.5008 0.4369 0.0022 -0.0124 -0.0067 441 ASN D N 11820 C CA . ASN D 374 ? 0.4626 0.5098 0.4445 0.0008 -0.0118 -0.0073 441 ASN D CA 11821 C C . ASN D 374 ? 0.4583 0.5030 0.4384 -0.0006 -0.0117 -0.0073 441 ASN D C 11822 O O . ASN D 374 ? 0.4368 0.4794 0.4158 -0.0009 -0.0121 -0.0065 441 ASN D O 11823 C CB . ASN D 374 ? 0.4246 0.4743 0.4074 0.0000 -0.0122 -0.0069 441 ASN D CB 11824 C CG . ASN D 374 ? 0.4838 0.5323 0.4657 -0.0009 -0.0127 -0.0059 441 ASN D CG 11825 O OD1 . ASN D 374 ? 0.4854 0.5336 0.4674 -0.0004 -0.0132 -0.0052 441 ASN D OD1 11826 N ND2 . ASN D 374 ? 0.4781 0.5263 0.4593 -0.0023 -0.0126 -0.0059 441 ASN D ND2 11827 N N . SER D 375 ? 0.4737 0.5190 0.4535 -0.0016 -0.0111 -0.0079 442 SER D N 11828 C CA . SER D 375 ? 0.4688 0.5128 0.4471 -0.0034 -0.0112 -0.0076 442 SER D CA 11829 C C . SER D 375 ? 0.4522 0.4985 0.4312 -0.0045 -0.0113 -0.0074 442 SER D C 11830 O O . SER D 375 ? 0.4898 0.5381 0.4700 -0.0040 -0.0115 -0.0074 442 SER D O 11831 C CB . SER D 375 ? 0.4751 0.5173 0.4520 -0.0040 -0.0105 -0.0085 442 SER D CB 11832 O OG . SER D 375 ? 0.5221 0.5661 0.4996 -0.0042 -0.0098 -0.0096 442 SER D OG 11833 N N . ILE D 376 ? 0.4777 0.5235 0.4557 -0.0060 -0.0115 -0.0071 443 ILE D N 11834 C CA . ILE D 376 ? 0.5059 0.5532 0.4841 -0.0069 -0.0117 -0.0068 443 ILE D CA 11835 C C . ILE D 376 ? 0.4502 0.4972 0.4273 -0.0085 -0.0115 -0.0071 443 ILE D C 11836 O O . ILE D 376 ? 0.4157 0.4613 0.3916 -0.0091 -0.0112 -0.0072 443 ILE D O 11837 C CB . ILE D 376 ? 0.6048 0.6524 0.5832 -0.0070 -0.0125 -0.0058 443 ILE D CB 11838 C CG1 . ILE D 376 ? 0.6960 0.7426 0.6734 -0.0077 -0.0127 -0.0052 443 ILE D CG1 11839 C CG2 . ILE D 376 ? 0.6814 0.7296 0.6608 -0.0058 -0.0128 -0.0055 443 ILE D CG2 11840 C CD1 . ILE D 376 ? 0.7742 0.8217 0.7519 -0.0077 -0.0133 -0.0044 443 ILE D CD1 11841 N N . VAL D 377 ? 0.4132 0.4615 0.3904 -0.0093 -0.0117 -0.0070 444 VAL D N 11842 C CA . VAL D 377 ? 0.4679 0.5161 0.4440 -0.0109 -0.0117 -0.0069 444 VAL D CA 11843 C C . VAL D 377 ? 0.4425 0.4912 0.4186 -0.0113 -0.0126 -0.0060 444 VAL D C 11844 O O . VAL D 377 ? 0.3969 0.4462 0.3738 -0.0106 -0.0129 -0.0059 444 VAL D O 11845 C CB . VAL D 377 ? 0.4947 0.5437 0.4704 -0.0117 -0.0109 -0.0080 444 VAL D CB 11846 C CG1 . VAL D 377 ? 0.4787 0.5295 0.4553 -0.0116 -0.0110 -0.0082 444 VAL D CG1 11847 C CG2 . VAL D 377 ? 0.4941 0.5429 0.4684 -0.0136 -0.0110 -0.0079 444 VAL D CG2 11848 N N . VAL D 378 ? 0.4103 0.4586 0.3855 -0.0123 -0.0130 -0.0054 445 VAL D N 11849 C CA . VAL D 378 ? 0.4028 0.4511 0.3779 -0.0123 -0.0140 -0.0045 445 VAL D CA 11850 C C . VAL D 378 ? 0.4568 0.5050 0.4307 -0.0139 -0.0143 -0.0041 445 VAL D C 11851 O O . VAL D 378 ? 0.4054 0.4536 0.3785 -0.0150 -0.0141 -0.0041 445 VAL D O 11852 C CB . VAL D 378 ? 0.4722 0.5207 0.4477 -0.0115 -0.0144 -0.0037 445 VAL D CB 11853 C CG1 . VAL D 378 ? 0.5129 0.5616 0.4886 -0.0109 -0.0153 -0.0030 445 VAL D CG1 11854 C CG2 . VAL D 378 ? 0.4504 0.4989 0.4268 -0.0103 -0.0140 -0.0040 445 VAL D CG2 11855 N N . PHE D 379 ? 0.4768 0.5246 0.4503 -0.0140 -0.0151 -0.0037 446 PHE D N 11856 C CA . PHE D 379 ? 0.4449 0.4924 0.4171 -0.0155 -0.0157 -0.0031 446 PHE D CA 11857 C C . PHE D 379 ? 0.4839 0.5304 0.4558 -0.0147 -0.0169 -0.0021 446 PHE D C 11858 O O . PHE D 379 ? 0.4365 0.4827 0.4091 -0.0133 -0.0171 -0.0021 446 PHE D O 11859 C CB . PHE D 379 ? 0.4569 0.5044 0.4283 -0.0168 -0.0154 -0.0037 446 PHE D CB 11860 C CG . PHE D 379 ? 0.4549 0.5034 0.4259 -0.0181 -0.0144 -0.0045 446 PHE D CG 11861 C CD1 . PHE D 379 ? 0.5319 0.5811 0.5040 -0.0172 -0.0134 -0.0055 446 PHE D CD1 11862 C CD2 . PHE D 379 ? 0.5342 0.5828 0.5037 -0.0202 -0.0146 -0.0045 446 PHE D CD2 11863 C CE1 . PHE D 379 ? 0.5499 0.5998 0.5216 -0.0182 -0.0124 -0.0066 446 PHE D CE1 11864 C CE2 . PHE D 379 ? 0.5653 0.6150 0.5344 -0.0214 -0.0135 -0.0055 446 PHE D CE2 11865 C CZ . PHE D 379 ? 0.5724 0.6227 0.5425 -0.0203 -0.0124 -0.0066 446 PHE D CZ 11866 N N . CYS D 380 ? 0.5241 0.5703 0.4950 -0.0156 -0.0177 -0.0012 447 CYS D N 11867 C CA . CYS D 380 ? 0.5185 0.5636 0.4890 -0.0146 -0.0189 -0.0003 447 CYS D CA 11868 C C . CYS D 380 ? 0.5094 0.5530 0.4780 -0.0161 -0.0199 0.0003 447 CYS D C 11869 O O . CYS D 380 ? 0.4971 0.5410 0.4647 -0.0181 -0.0197 0.0003 447 CYS D O 11870 C CB . CYS D 380 ? 0.5301 0.5766 0.5013 -0.0138 -0.0193 0.0003 447 CYS D CB 11871 S SG . CYS D 380 ? 0.5721 0.6200 0.5452 -0.0117 -0.0188 0.0000 447 CYS D SG 11872 N N . GLY D 381 ? 0.4925 0.5341 0.4603 -0.0151 -0.0210 0.0009 448 GLY D N 11873 C CA . GLY D 381 ? 0.4936 0.5331 0.4593 -0.0163 -0.0221 0.0018 448 GLY D CA 11874 C C . GLY D 381 ? 0.4538 0.4941 0.4189 -0.0172 -0.0227 0.0027 448 GLY D C 11875 O O . GLY D 381 ? 0.4709 0.5128 0.4373 -0.0159 -0.0229 0.0031 448 GLY D O 11876 N N . THR D 382 ? 0.4586 0.4981 0.4219 -0.0195 -0.0231 0.0032 449 THR D N 11877 C CA . THR D 382 ? 0.4534 0.4934 0.4158 -0.0207 -0.0240 0.0043 449 THR D CA 11878 C C . THR D 382 ? 0.4532 0.4903 0.4129 -0.0219 -0.0255 0.0054 449 THR D C 11879 O O . THR D 382 ? 0.5551 0.5902 0.5133 -0.0230 -0.0256 0.0051 449 THR D O 11880 C CB . THR D 382 ? 0.5142 0.5564 0.4764 -0.0230 -0.0228 0.0037 449 THR D CB 11881 O OG1 . THR D 382 ? 0.5425 0.5853 0.5038 -0.0243 -0.0236 0.0048 449 THR D OG1 11882 C CG2 . THR D 382 ? 0.5078 0.5496 0.4688 -0.0252 -0.0221 0.0028 449 THR D CG2 11883 N N . SER D 383 ? 0.5298 0.5665 0.4889 -0.0215 -0.0268 0.0068 450 SER D N 11884 C CA . SER D 383 ? 0.6043 0.6382 0.5606 -0.0230 -0.0284 0.0080 450 SER D CA 11885 C C . SER D 383 ? 0.5369 0.5725 0.4921 -0.0259 -0.0285 0.0086 450 SER D C 11886 O O . SER D 383 ? 0.5501 0.5837 0.5028 -0.0274 -0.0299 0.0099 450 SER D O 11887 C CB . SER D 383 ? 0.6148 0.6466 0.5708 -0.0206 -0.0302 0.0093 450 SER D CB 11888 O OG . SER D 383 ? 0.6007 0.6352 0.5580 -0.0198 -0.0306 0.0102 450 SER D OG 11889 N N . GLY D 384 ? 0.5303 0.5692 0.4869 -0.0269 -0.0269 0.0077 451 GLY D N 11890 C CA . GLY D 384 ? 0.5643 0.6047 0.5196 -0.0299 -0.0266 0.0078 451 GLY D CA 11891 C C . GLY D 384 ? 0.5377 0.5782 0.4918 -0.0325 -0.0254 0.0066 451 GLY D C 11892 O O . GLY D 384 ? 0.5959 0.6346 0.5492 -0.0326 -0.0255 0.0063 451 GLY D O 11893 N N . THR D 385 ? 0.5435 0.5863 0.4975 -0.0345 -0.0243 0.0058 452 THR D N 11894 C CA . THR D 385 ? 0.5265 0.5704 0.4797 -0.0367 -0.0229 0.0044 452 THR D CA 11895 C C . THR D 385 ? 0.4971 0.5431 0.4524 -0.0358 -0.0209 0.0025 452 THR D C 11896 O O . THR D 385 ? 0.4747 0.5215 0.4317 -0.0341 -0.0206 0.0025 452 THR D O 11897 C CB . THR D 385 ? 0.5331 0.5777 0.4839 -0.0402 -0.0232 0.0048 452 THR D CB 11898 O OG1 . THR D 385 ? 0.5970 0.6433 0.5481 -0.0406 -0.0229 0.0051 452 THR D OG1 11899 C CG2 . THR D 385 ? 0.5365 0.5786 0.4849 -0.0412 -0.0253 0.0068 452 THR D CG2 11900 N N . TYR D 386 ? 0.4626 0.5098 0.4177 -0.0370 -0.0196 0.0010 453 TYR D N 11901 C CA . TYR D 386 ? 0.4720 0.5207 0.4288 -0.0360 -0.0177 -0.0007 453 TYR D CA 11902 C C . TYR D 386 ? 0.4578 0.5085 0.4139 -0.0380 -0.0164 -0.0022 453 TYR D C 11903 O O . TYR D 386 ? 0.4308 0.4815 0.3851 -0.0401 -0.0169 -0.0019 453 TYR D O 11904 C CB . TYR D 386 ? 0.4416 0.4896 0.4004 -0.0331 -0.0177 -0.0010 453 TYR D CB 11905 C CG . TYR D 386 ? 0.4526 0.4994 0.4106 -0.0334 -0.0184 -0.0006 453 TYR D CG 11906 C CD1 . TYR D 386 ? 0.4525 0.5007 0.4105 -0.0343 -0.0174 -0.0018 453 TYR D CD1 11907 C CD2 . TYR D 386 ? 0.5142 0.5585 0.4716 -0.0324 -0.0201 0.0008 453 TYR D CD2 11908 C CE1 . TYR D 386 ? 0.4694 0.5164 0.4264 -0.0347 -0.0182 -0.0015 453 TYR D CE1 11909 C CE2 . TYR D 386 ? 0.4808 0.5234 0.4372 -0.0326 -0.0208 0.0011 453 TYR D CE2 11910 C CZ . TYR D 386 ? 0.4821 0.5260 0.4381 -0.0340 -0.0199 0.0000 453 TYR D CZ 11911 O OH . TYR D 386 ? 0.4915 0.5337 0.4460 -0.0347 -0.0207 0.0004 453 TYR D OH 11912 N N . GLY D 387 ? 0.4980 0.5501 0.4554 -0.0371 -0.0147 -0.0040 454 GLY D N 11913 C CA . GLY D 387 ? 0.4568 0.5112 0.4139 -0.0384 -0.0132 -0.0058 454 GLY D CA 11914 C C . GLY D 387 ? 0.4532 0.5086 0.4122 -0.0364 -0.0123 -0.0070 454 GLY D C 11915 O O . GLY D 387 ? 0.4548 0.5094 0.4143 -0.0356 -0.0132 -0.0062 454 GLY D O 11916 N N . THR D 388 ? 0.4492 0.5064 0.4090 -0.0358 -0.0107 -0.0089 455 THR D N 11917 C CA . THR D 388 ? 0.4577 0.5165 0.4195 -0.0340 -0.0097 -0.0102 455 THR D CA 11918 C C . THR D 388 ? 0.4288 0.4873 0.3920 -0.0317 -0.0085 -0.0115 455 THR D C 11919 O O . THR D 388 ? 0.4705 0.5282 0.4329 -0.0322 -0.0080 -0.0119 455 THR D O 11920 C CB . THR D 388 ? 0.4922 0.5545 0.4535 -0.0357 -0.0087 -0.0115 455 THR D CB 11921 O OG1 . THR D 388 ? 0.4931 0.5566 0.4530 -0.0375 -0.0077 -0.0126 455 THR D OG1 11922 C CG2 . THR D 388 ? 0.4872 0.5498 0.4471 -0.0379 -0.0099 -0.0103 455 THR D CG2 11923 N N . GLY D 389 ? 0.4437 0.5028 0.4088 -0.0294 -0.0081 -0.0121 456 GLY D N 11924 C CA . GLY D 389 ? 0.4549 0.5137 0.4213 -0.0271 -0.0070 -0.0134 456 GLY D CA 11925 C C . GLY D 389 ? 0.4537 0.5135 0.4223 -0.0246 -0.0068 -0.0138 456 GLY D C 11926 O O . GLY D 389 ? 0.4898 0.5511 0.4589 -0.0249 -0.0073 -0.0133 456 GLY D O 11927 N N . SER D 390 ? 0.4585 0.5172 0.4281 -0.0223 -0.0061 -0.0146 457 SER D N 11928 C CA . SER D 390 ? 0.4965 0.5557 0.4681 -0.0198 -0.0061 -0.0147 457 SER D CA 11929 C C . SER D 390 ? 0.4957 0.5519 0.4676 -0.0179 -0.0062 -0.0145 457 SER D C 11930 O O . SER D 390 ? 0.4899 0.5446 0.4609 -0.0178 -0.0055 -0.0153 457 SER D O 11931 C CB . SER D 390 ? 0.4685 0.5311 0.4412 -0.0189 -0.0050 -0.0164 457 SER D CB 11932 O OG . SER D 390 ? 0.5385 0.6015 0.5132 -0.0163 -0.0050 -0.0164 457 SER D OG 11933 N N . TRP D 391 ? 0.4763 0.5315 0.4494 -0.0164 -0.0070 -0.0134 458 TRP D N 11934 C CA . TRP D 391 ? 0.4708 0.5231 0.4439 -0.0151 -0.0073 -0.0129 458 TRP D CA 11935 C C . TRP D 391 ? 0.5245 0.5770 0.4993 -0.0126 -0.0073 -0.0130 458 TRP D C 11936 O O . TRP D 391 ? 0.5094 0.5612 0.4849 -0.0119 -0.0082 -0.0118 458 TRP D O 11937 C CB . TRP D 391 ? 0.5197 0.5705 0.4921 -0.0161 -0.0084 -0.0113 458 TRP D CB 11938 C CG . TRP D 391 ? 0.4851 0.5355 0.4557 -0.0184 -0.0085 -0.0110 458 TRP D CG 11939 C CD1 . TRP D 391 ? 0.5378 0.5865 0.5069 -0.0192 -0.0083 -0.0111 458 TRP D CD1 11940 C CD2 . TRP D 391 ? 0.4557 0.5075 0.4256 -0.0203 -0.0089 -0.0106 458 TRP D CD2 11941 N NE1 . TRP D 391 ? 0.5507 0.5999 0.5184 -0.0215 -0.0086 -0.0107 458 TRP D NE1 11942 C CE2 . TRP D 391 ? 0.4609 0.5119 0.4289 -0.0222 -0.0090 -0.0104 458 TRP D CE2 11943 C CE3 . TRP D 391 ? 0.4618 0.5153 0.4320 -0.0209 -0.0093 -0.0104 458 TRP D CE3 11944 C CZ2 . TRP D 391 ? 0.4924 0.5442 0.4592 -0.0245 -0.0095 -0.0098 458 TRP D CZ2 11945 C CZ3 . TRP D 391 ? 0.5147 0.5687 0.4834 -0.0232 -0.0098 -0.0098 458 TRP D CZ3 11946 C CH2 . TRP D 391 ? 0.4930 0.5461 0.4601 -0.0250 -0.0099 -0.0095 458 TRP D CH2 11947 N N . PRO D 392 ? 0.4875 0.5410 0.4631 -0.0111 -0.0064 -0.0143 459 PRO D N 11948 C CA . PRO D 392 ? 0.4840 0.5379 0.4613 -0.0087 -0.0066 -0.0143 459 PRO D CA 11949 C C . PRO D 392 ? 0.4916 0.5419 0.4683 -0.0074 -0.0068 -0.0139 459 PRO D C 11950 O O . PRO D 392 ? 0.4753 0.5230 0.4503 -0.0084 -0.0068 -0.0138 459 PRO D O 11951 C CB . PRO D 392 ? 0.4770 0.5335 0.4551 -0.0076 -0.0055 -0.0160 459 PRO D CB 11952 C CG . PRO D 392 ? 0.4678 0.5232 0.4442 -0.0087 -0.0046 -0.0171 459 PRO D CG 11953 C CD . PRO D 392 ? 0.4686 0.5229 0.4434 -0.0114 -0.0052 -0.0160 459 PRO D CD 11954 N N . ASP D 393 ? 0.5002 0.5505 0.4782 -0.0052 -0.0070 -0.0139 460 ASP D N 11955 C CA . ASP D 393 ? 0.4929 0.5398 0.4703 -0.0039 -0.0074 -0.0134 460 ASP D CA 11956 C C . ASP D 393 ? 0.4643 0.5080 0.4399 -0.0037 -0.0067 -0.0144 460 ASP D C 11957 O O . ASP D 393 ? 0.5030 0.5433 0.4767 -0.0044 -0.0070 -0.0139 460 ASP D O 11958 C CB . ASP D 393 ? 0.4913 0.5392 0.4705 -0.0016 -0.0076 -0.0132 460 ASP D CB 11959 C CG . ASP D 393 ? 0.5540 0.5982 0.5323 -0.0002 -0.0080 -0.0129 460 ASP D CG 11960 O OD1 . ASP D 393 ? 0.5795 0.6219 0.5571 -0.0009 -0.0088 -0.0116 460 ASP D OD1 11961 O OD2 . ASP D 393 ? 0.5799 0.6228 0.5579 0.0015 -0.0075 -0.0139 460 ASP D OD2 11962 N N . GLY D 394 ? 0.4729 0.5179 0.4487 -0.0027 -0.0057 -0.0160 461 GLY D N 11963 C CA . GLY D 394 ? 0.4325 0.4747 0.4064 -0.0026 -0.0049 -0.0174 461 GLY D CA 11964 C C . GLY D 394 ? 0.5213 0.5600 0.4946 -0.0001 -0.0049 -0.0179 461 GLY D C 11965 O O . GLY D 394 ? 0.4720 0.5077 0.4433 0.0001 -0.0042 -0.0191 461 GLY D O 11966 N N . ALA D 395 ? 0.6032 0.6419 0.5778 0.0017 -0.0056 -0.0170 462 ALA D N 11967 C CA . ALA D 395 ? 0.5325 0.5676 0.5064 0.0042 -0.0058 -0.0174 462 ALA D CA 11968 C C . ALA D 395 ? 0.5249 0.5625 0.5004 0.0068 -0.0049 -0.0190 462 ALA D C 11969 O O . ALA D 395 ? 0.5565 0.5992 0.5343 0.0070 -0.0046 -0.0194 462 ALA D O 11970 C CB . ALA D 395 ? 0.5469 0.5811 0.5215 0.0051 -0.0070 -0.0157 462 ALA D CB 11971 N N . ASN D 396 ? 0.5637 0.5974 0.5376 0.0087 -0.0045 -0.0202 463 ASN D N 11972 C CA . ASN D 396 ? 0.5296 0.5649 0.5047 0.0119 -0.0039 -0.0218 463 ASN D CA 11973 C C . ASN D 396 ? 0.4979 0.5319 0.4741 0.0147 -0.0050 -0.0207 463 ASN D C 11974 O O . ASN D 396 ? 0.4842 0.5125 0.4582 0.0152 -0.0057 -0.0200 463 ASN D O 11975 C CB . ASN D 396 ? 0.5572 0.5884 0.5298 0.0126 -0.0030 -0.0236 463 ASN D CB 11976 C CG . ASN D 396 ? 0.5932 0.6263 0.5672 0.0163 -0.0022 -0.0256 463 ASN D CG 11977 O OD1 . ASN D 396 ? 0.6298 0.6653 0.6062 0.0190 -0.0026 -0.0252 463 ASN D OD1 11978 N ND2 . ASN D 396 ? 0.6314 0.6632 0.6038 0.0164 -0.0010 -0.0276 463 ASN D ND2 11979 N N . ILE D 397 ? 0.5037 0.5432 0.4831 0.0162 -0.0051 -0.0206 464 ILE D N 11980 C CA . ILE D 397 ? 0.5598 0.5992 0.5405 0.0184 -0.0062 -0.0193 464 ILE D CA 11981 C C . ILE D 397 ? 0.5412 0.5758 0.5205 0.0217 -0.0064 -0.0201 464 ILE D C 11982 O O . ILE D 397 ? 0.5433 0.5746 0.5220 0.0228 -0.0076 -0.0187 464 ILE D O 11983 C CB . ILE D 397 ? 0.5798 0.6266 0.5642 0.0193 -0.0062 -0.0192 464 ILE D CB 11984 C CG1 . ILE D 397 ? 0.6454 0.6922 0.6309 0.0205 -0.0076 -0.0174 464 ILE D CG1 11985 C CG2 . ILE D 397 ? 0.6011 0.6516 0.5871 0.0220 -0.0051 -0.0213 464 ILE D CG2 11986 C CD1 . ILE D 397 ? 0.6571 0.7022 0.6416 0.0177 -0.0085 -0.0155 464 ILE D CD1 11987 N N . ASN D 398 ? 0.5104 0.5441 0.4889 0.0231 -0.0052 -0.0222 465 ASN D N 11988 C CA . ASN D 398 ? 0.5720 0.6003 0.5487 0.0265 -0.0054 -0.0231 465 ASN D CA 11989 C C . ASN D 398 ? 0.5918 0.6113 0.5642 0.0253 -0.0060 -0.0225 465 ASN D C 11990 O O . ASN D 398 ? 0.5970 0.6113 0.5676 0.0279 -0.0065 -0.0228 465 ASN D O 11991 C CB . ASN D 398 ? 0.5804 0.6102 0.5573 0.0285 -0.0038 -0.0259 465 ASN D CB 11992 C CG . ASN D 398 ? 0.6486 0.6874 0.6297 0.0300 -0.0032 -0.0267 465 ASN D CG 11993 O OD1 . ASN D 398 ? 0.6549 0.6981 0.6368 0.0287 -0.0019 -0.0282 465 ASN D OD1 11994 N ND2 . ASN D 398 ? 0.6491 0.6909 0.6328 0.0322 -0.0041 -0.0256 465 ASN D ND2 11995 N N . PHE D 399 ? 0.5676 0.5857 0.5383 0.0214 -0.0061 -0.0216 466 PHE D N 11996 C CA . PHE D 399 ? 0.5749 0.5855 0.5415 0.0197 -0.0067 -0.0208 466 PHE D CA 11997 C C . PHE D 399 ? 0.5805 0.5896 0.5468 0.0187 -0.0083 -0.0183 466 PHE D C 11998 O O . PHE D 399 ? 0.6383 0.6417 0.6013 0.0170 -0.0090 -0.0174 466 PHE D O 11999 C CB . PHE D 399 ? 0.5859 0.5965 0.5508 0.0158 -0.0060 -0.0212 466 PHE D CB 12000 C CG . PHE D 399 ? 0.5695 0.5800 0.5333 0.0160 -0.0044 -0.0236 466 PHE D CG 12001 C CD1 . PHE D 399 ? 0.5793 0.5887 0.5431 0.0196 -0.0037 -0.0256 466 PHE D CD1 12002 C CD2 . PHE D 399 ? 0.6265 0.6380 0.5891 0.0125 -0.0037 -0.0240 466 PHE D CD2 12003 C CE1 . PHE D 399 ? 0.5485 0.5583 0.5114 0.0196 -0.0022 -0.0280 466 PHE D CE1 12004 C CE2 . PHE D 399 ? 0.6245 0.6363 0.5861 0.0123 -0.0022 -0.0262 466 PHE D CE2 12005 C CZ . PHE D 399 ? 0.5897 0.6007 0.5514 0.0159 -0.0014 -0.0283 466 PHE D CZ 12006 N N . MET D 400 ? 0.5622 0.5764 0.5318 0.0195 -0.0089 -0.0172 467 MET D N 12007 C CA . MET D 400 ? 0.5321 0.5458 0.5017 0.0181 -0.0102 -0.0149 467 MET D CA 12008 C C . MET D 400 ? 0.5996 0.6096 0.5685 0.0207 -0.0115 -0.0139 467 MET D C 12009 O O . MET D 400 ? 0.5955 0.6063 0.5658 0.0241 -0.0115 -0.0147 467 MET D O 12010 C CB . MET D 400 ? 0.5358 0.5567 0.5091 0.0174 -0.0102 -0.0141 467 MET D CB 12011 C CG . MET D 400 ? 0.6051 0.6302 0.5793 0.0149 -0.0092 -0.0149 467 MET D CG 12012 S SD . MET D 400 ? 0.5788 0.6007 0.5501 0.0108 -0.0091 -0.0142 467 MET D SD 12013 C CE . MET D 400 ? 0.6153 0.6365 0.5865 0.0097 -0.0107 -0.0118 467 MET D CE 12014 N N . PRO D 401 ? 0.7103 0.7168 0.6771 0.0190 -0.0127 -0.0120 468 PRO D N 12015 C CA . PRO D 401 ? 0.6701 0.6746 0.6368 0.0209 -0.0142 -0.0104 468 PRO D CA 12016 C C . PRO D 401 ? 0.6368 0.6484 0.6079 0.0226 -0.0144 -0.0101 468 PRO D C 12017 O O . PRO D 401 ? 0.6863 0.7035 0.6597 0.0210 -0.0137 -0.0102 468 PRO D O 12018 C CB . PRO D 401 ? 0.7151 0.7178 0.6800 0.0175 -0.0152 -0.0085 468 PRO D CB 12019 C CG . PRO D 401 ? 0.7598 0.7606 0.7223 0.0145 -0.0143 -0.0092 468 PRO D CG 12020 C CD . PRO D 401 ? 0.6812 0.6861 0.6459 0.0151 -0.0128 -0.0111 468 PRO D CD 12021 N N . ILE D 402 ? 0.6544 0.6655 0.6262 0.0255 -0.0153 -0.0094 469 ILE D N 12022 C CA . ILE D 402 ? 0.7728 0.7905 0.7487 0.0280 -0.0151 -0.0098 469 ILE D CA 12023 C C . ILE D 402 ? 0.8593 0.8828 0.8380 0.0272 -0.0159 -0.0082 469 ILE D C 12024 O O . ILE D 402 ? 0.6613 0.6838 0.6392 0.0252 -0.0168 -0.0065 469 ILE D O 12025 C CB . ILE D 402 ? 0.8684 0.8836 0.8442 0.0324 -0.0155 -0.0106 469 ILE D CB 12026 C CG1 . ILE D 402 ? 1.0544 1.0766 1.0340 0.0349 -0.0145 -0.0122 469 ILE D CG1 12027 C CG2 . ILE D 402 ? 0.8713 0.8837 0.8464 0.0339 -0.0173 -0.0086 469 ILE D CG2 12028 C CD1 . ILE D 402 ? 1.2547 1.2751 1.2345 0.0396 -0.0146 -0.0133 469 ILE D CD1 12029 CA CA . CA E . ? 1.0605 1.0772 0.9832 -0.0335 0.0086 -0.0137 501 CA A CA 12030 C C1 . NAG F . ? 1.0307 1.1034 1.0462 0.0286 -0.0009 -0.0187 502 NAG A C1 12031 C C2 . NAG F . ? 1.1237 1.1968 1.1440 0.0320 -0.0025 -0.0182 502 NAG A C2 12032 C C3 . NAG F . ? 1.1632 1.2387 1.1895 0.0327 -0.0006 -0.0212 502 NAG A C3 12033 C C4 . NAG F . ? 1.2615 1.3423 1.2905 0.0309 0.0007 -0.0238 502 NAG A C4 12034 C C5 . NAG F . ? 1.1999 1.2794 1.2228 0.0274 0.0021 -0.0237 502 NAG A C5 12035 C C6 . NAG F . ? 1.0811 1.1650 1.1053 0.0250 0.0037 -0.0262 502 NAG A C6 12036 C C7 . NAG F . ? 1.0027 1.0688 1.0188 0.0348 -0.0059 -0.0134 502 NAG A C7 12037 C C8 . NAG F . ? 1.0347 1.0954 1.0479 0.0358 -0.0064 -0.0115 502 NAG A C8 12038 N N2 . NAG F . ? 1.1055 1.1734 1.1232 0.0333 -0.0033 -0.0161 502 NAG A N2 12039 O O3 . NAG F . ? 1.1094 1.1851 1.1403 0.0360 -0.0024 -0.0206 502 NAG A O3 12040 O O4 . NAG F . ? 1.4238 1.5063 1.4578 0.0314 0.0029 -0.0267 502 NAG A O4 12041 O O5 . NAG F . ? 1.1515 1.2291 1.1698 0.0273 0.0000 -0.0209 502 NAG A O5 12042 O O6 . NAG F . ? 1.0077 1.0924 1.0281 0.0232 0.0026 -0.0250 502 NAG A O6 12043 O O7 . NAG F . ? 0.8701 0.9388 0.8867 0.0352 -0.0081 -0.0125 502 NAG A O7 12044 C C1 . NAG G . ? 1.4851 1.5735 1.5254 0.0320 0.0029 -0.0290 503 NAG A C1 12045 C C2 . NAG G . ? 1.5055 1.5954 1.5497 0.0312 0.0062 -0.0325 503 NAG A C2 12046 C C3 . NAG G . ? 1.5464 1.6424 1.5986 0.0324 0.0064 -0.0353 503 NAG A C3 12047 C C4 . NAG G . ? 1.5140 1.6118 1.5709 0.0360 0.0029 -0.0337 503 NAG A C4 12048 C C5 . NAG G . ? 1.5698 1.6661 1.6210 0.0355 0.0001 -0.0303 503 NAG A C5 12049 C C6 . NAG G . ? 1.5192 1.6178 1.5738 0.0383 -0.0036 -0.0285 503 NAG A C6 12050 C C7 . NAG G . ? 1.3204 1.4052 1.3558 0.0261 0.0107 -0.0336 503 NAG A C7 12051 C C8 . NAG G . ? 1.2993 1.3833 1.3294 0.0221 0.0128 -0.0344 503 NAG A C8 12052 N N2 . NAG G . ? 1.3859 1.4749 1.4250 0.0274 0.0087 -0.0335 503 NAG A N2 12053 O O3 . NAG G . ? 1.5358 1.6320 1.5920 0.0326 0.0092 -0.0382 503 NAG A O3 12054 O O4 . NAG G . ? 1.3164 1.4205 1.3805 0.0369 0.0028 -0.0361 503 NAG A O4 12055 O O5 . NAG G . ? 1.4724 1.5626 1.5176 0.0353 0.0000 -0.0280 503 NAG A O5 12056 O O6 . NAG G . ? 1.4408 1.5366 1.4981 0.0415 -0.0050 -0.0274 503 NAG A O6 12057 O O7 . NAG G . ? 1.3141 1.3956 1.3503 0.0279 0.0107 -0.0331 503 NAG A O7 12058 C C1 . NAG H . ? 0.8957 0.8994 0.9043 0.0107 -0.0398 -0.0033 504 NAG A C1 12059 C C2 . NAG H . ? 0.9976 0.9993 1.0095 0.0112 -0.0438 -0.0018 504 NAG A C2 12060 C C3 . NAG H . ? 0.9725 0.9727 0.9905 0.0133 -0.0452 -0.0030 504 NAG A C3 12061 C C4 . NAG H . ? 1.0720 1.0691 1.0875 0.0129 -0.0447 -0.0033 504 NAG A C4 12062 C C5 . NAG H . ? 1.0047 1.0045 1.0172 0.0124 -0.0405 -0.0050 504 NAG A C5 12063 C C6 . NAG H . ? 1.0277 1.0247 1.0370 0.0116 -0.0398 -0.0052 504 NAG A C6 12064 C C7 . NAG H . ? 1.1576 1.1620 1.1677 0.0097 -0.0451 0.0002 504 NAG A C7 12065 C C8 . NAG H . ? 1.0877 1.0955 1.1006 0.0101 -0.0451 0.0000 504 NAG A C8 12066 N N2 . NAG H . ? 1.0744 1.0792 1.0885 0.0115 -0.0439 -0.0017 504 NAG A N2 12067 O O3 . NAG H . ? 0.8723 0.8703 0.8922 0.0134 -0.0493 -0.0011 504 NAG A O3 12068 O O4 . NAG H . ? 1.2836 1.2791 1.3048 0.0148 -0.0459 -0.0045 504 NAG A O4 12069 O O5 . NAG H . ? 0.9128 0.9145 0.9205 0.0108 -0.0391 -0.0040 504 NAG A O5 12070 O O6 . NAG H . ? 1.2071 1.2004 1.2109 0.0096 -0.0419 -0.0026 504 NAG A O6 12071 O O7 . NAG H . ? 1.1906 1.1921 1.1948 0.0078 -0.0461 0.0021 504 NAG A O7 12072 C C1 . NAG I . ? 1.2054 1.1977 1.2301 0.0157 -0.0502 -0.0031 505 NAG A C1 12073 C C2 . NAG I . ? 1.1648 1.1538 1.1926 0.0170 -0.0509 -0.0042 505 NAG A C2 12074 C C3 . NAG I . ? 1.2051 1.1879 1.2298 0.0160 -0.0546 -0.0016 505 NAG A C3 12075 C C4 . NAG I . ? 1.1864 1.1677 1.2091 0.0149 -0.0582 0.0013 505 NAG A C4 12076 C C5 . NAG I . ? 1.2542 1.2382 1.2703 0.0126 -0.0557 0.0019 505 NAG A C5 12077 C C6 . NAG I . ? 1.2229 1.2046 1.2332 0.0102 -0.0583 0.0051 505 NAG A C6 12078 C C7 . NAG I . ? 1.2556 1.2510 1.2866 0.0183 -0.0438 -0.0094 505 NAG A C7 12079 C C8 . NAG I . ? 1.1343 1.1314 1.1635 0.0180 -0.0398 -0.0118 505 NAG A C8 12080 N N2 . NAG I . ? 1.2153 1.2061 1.2419 0.0169 -0.0468 -0.0066 505 NAG A N2 12081 O O3 . NAG I . ? 1.1027 1.0827 1.1328 0.0179 -0.0563 -0.0026 505 NAG A O3 12082 O O4 . NAG I . ? 1.0895 1.0649 1.1096 0.0139 -0.0621 0.0039 505 NAG A O4 12083 O O5 . NAG I . ? 1.2121 1.2015 1.2320 0.0138 -0.0532 0.0000 505 NAG A O5 12084 O O6 . NAG I . ? 1.1872 1.1703 1.2010 0.0109 -0.0606 0.0060 505 NAG A O6 12085 O O7 . NAG I . ? 1.0846 1.0827 1.1208 0.0196 -0.0444 -0.0101 505 NAG A O7 12086 C C1 . NAG J . ? 0.6017 0.6425 0.5389 -0.0335 -0.0008 -0.0175 506 NAG A C1 12087 C C2 . NAG J . ? 0.6197 0.6635 0.5567 -0.0362 0.0006 -0.0193 506 NAG A C2 12088 C C3 . NAG J . ? 0.6602 0.7018 0.5949 -0.0383 -0.0001 -0.0193 506 NAG A C3 12089 C C4 . NAG J . ? 0.5918 0.6330 0.5282 -0.0356 -0.0015 -0.0186 506 NAG A C4 12090 C C5 . NAG J . ? 0.5997 0.6378 0.5363 -0.0331 -0.0028 -0.0168 506 NAG A C5 12091 C C6 . NAG J . ? 0.5773 0.6148 0.5156 -0.0302 -0.0041 -0.0162 506 NAG A C6 12092 C C7 . NAG J . ? 0.8029 0.8511 0.7408 -0.0385 0.0037 -0.0216 506 NAG A C7 12093 C C8 . NAG J . ? 0.7513 0.7992 0.6868 -0.0417 0.0053 -0.0225 506 NAG A C8 12094 N N2 . NAG J . ? 0.7174 0.7611 0.6524 -0.0389 0.0019 -0.0200 506 NAG A N2 12095 O O3 . NAG J . ? 0.6048 0.6501 0.5400 -0.0406 0.0013 -0.0212 506 NAG A O3 12096 O O4 . NAG J . ? 0.5752 0.6133 0.5089 -0.0378 -0.0022 -0.0183 506 NAG A O4 12097 O O5 . NAG J . ? 0.6124 0.6535 0.5513 -0.0313 -0.0019 -0.0172 506 NAG A O5 12098 O O6 . NAG J . ? 0.5214 0.5642 0.4633 -0.0283 -0.0033 -0.0173 506 NAG A O6 12099 O O7 . NAG J . ? 0.7546 0.8068 0.6967 -0.0356 0.0039 -0.0222 506 NAG A O7 12100 C C1 . NAG K . ? 0.5567 0.5969 0.4918 -0.0374 -0.0023 -0.0192 507 NAG A C1 12101 C C2 . NAG K . ? 0.5058 0.5411 0.4380 -0.0390 -0.0036 -0.0185 507 NAG A C2 12102 C C3 . NAG K . ? 0.4881 0.5260 0.4217 -0.0390 -0.0034 -0.0197 507 NAG A C3 12103 C C4 . NAG K . ? 0.5334 0.5765 0.4682 -0.0407 -0.0018 -0.0216 507 NAG A C4 12104 C C5 . NAG K . ? 0.5595 0.6071 0.4975 -0.0389 -0.0008 -0.0221 507 NAG A C5 12105 C C6 . NAG K . ? 0.5362 0.5892 0.4759 -0.0406 0.0008 -0.0241 507 NAG A C6 12106 C C7 . NAG K . ? 0.6495 0.6755 0.5790 -0.0374 -0.0064 -0.0154 507 NAG A C7 12107 C C8 . NAG K . ? 0.5814 0.6042 0.5119 -0.0347 -0.0081 -0.0141 507 NAG A C8 12108 N N2 . NAG K . ? 0.5764 0.6080 0.5087 -0.0366 -0.0052 -0.0170 507 NAG A N2 12109 O O3 . NAG K . ? 0.5365 0.5700 0.4677 -0.0402 -0.0045 -0.0193 507 NAG A O3 12110 O O4 . NAG K . ? 0.5611 0.6067 0.4975 -0.0402 -0.0020 -0.0225 507 NAG A O4 12111 O O5 . NAG K . ? 0.5791 0.6235 0.5150 -0.0394 -0.0008 -0.0210 507 NAG A O5 12112 O O6 . NAG K . ? 0.6100 0.6608 0.5462 -0.0444 0.0016 -0.0245 507 NAG A O6 12113 O O7 . NAG K . ? 0.7075 0.7311 0.6337 -0.0403 -0.0063 -0.0151 507 NAG A O7 12114 C C1 . BMA L . ? 0.6167 0.6642 0.5522 -0.0433 -0.0010 -0.0241 508 BMA A C1 12115 C C2 . BMA L . ? 0.6072 0.6605 0.5461 -0.0424 -0.0006 -0.0256 508 BMA A C2 12116 C C3 . BMA L . ? 0.6184 0.6739 0.5563 -0.0461 0.0004 -0.0273 508 BMA A C3 12117 C C4 . BMA L . ? 0.6756 0.7251 0.6089 -0.0490 0.0000 -0.0267 508 BMA A C4 12118 C C5 . BMA L . ? 0.6286 0.6718 0.5586 -0.0494 -0.0007 -0.0249 508 BMA A C5 12119 C C6 . BMA L . ? 0.6744 0.7109 0.6002 -0.0514 -0.0018 -0.0238 508 BMA A C6 12120 O O2 . BMA L . ? 0.5295 0.5812 0.4684 -0.0411 -0.0018 -0.0252 508 BMA A O2 12121 O O3 . BMA L . ? 0.6179 0.6787 0.5588 -0.0455 0.0006 -0.0287 508 BMA A O3 12122 O O4 . BMA L . ? 0.6505 0.7016 0.5824 -0.0528 0.0010 -0.0282 508 BMA A O4 12123 O O5 . BMA L . ? 0.6266 0.6688 0.5583 -0.0457 -0.0017 -0.0235 508 BMA A O5 12124 O O6 . BMA L . ? 0.7704 0.8033 0.6930 -0.0535 -0.0017 -0.0228 508 BMA A O6 12125 C C1 . MAN M . ? 0.6419 0.7080 0.5846 -0.0474 0.0021 -0.0306 509 MAN A C1 12126 C C2 . MAN M . ? 0.6764 0.7481 0.6224 -0.0469 0.0020 -0.0320 509 MAN A C2 12127 C C3 . MAN M . ? 0.6143 0.6893 0.5641 -0.0427 0.0011 -0.0315 509 MAN A C3 12128 C C4 . MAN M . ? 0.6134 0.6910 0.5659 -0.0411 0.0018 -0.0315 509 MAN A C4 12129 C C5 . MAN M . ? 0.6617 0.7336 0.6107 -0.0420 0.0022 -0.0303 509 MAN A C5 12130 C C6 . MAN M . ? 0.6002 0.6745 0.5515 -0.0410 0.0032 -0.0306 509 MAN A C6 12131 O O2 . MAN M . ? 0.7405 0.8172 0.6881 -0.0493 0.0034 -0.0340 509 MAN A O2 12132 O O3 . MAN M . ? 0.6090 0.6896 0.5618 -0.0425 0.0009 -0.0329 509 MAN A O3 12133 O O4 . MAN M . ? 0.5900 0.6704 0.5460 -0.0373 0.0010 -0.0310 509 MAN A O4 12134 O O5 . MAN M . ? 0.6093 0.6782 0.5545 -0.0459 0.0029 -0.0307 509 MAN A O5 12135 O O6 . MAN M . ? 0.7309 0.8000 0.6795 -0.0406 0.0029 -0.0290 509 MAN A O6 12136 C C1 . MAN N . ? 0.8215 0.8997 0.7686 -0.0515 0.0034 -0.0352 510 MAN A C1 12137 C C2 . MAN N . ? 0.9029 0.9879 0.8532 -0.0533 0.0049 -0.0376 510 MAN A C2 12138 C C3 . MAN N . ? 0.8724 0.9556 0.8203 -0.0564 0.0066 -0.0381 510 MAN A C3 12139 C C4 . MAN N . ? 0.9376 1.0147 0.8798 -0.0600 0.0066 -0.0376 510 MAN A C4 12140 C C5 . MAN N . ? 1.0097 1.0802 0.9491 -0.0580 0.0048 -0.0352 510 MAN A C5 12141 C C6 . MAN N . ? 1.0212 1.0858 0.9554 -0.0614 0.0045 -0.0348 510 MAN A C6 12142 O O2 . MAN N . ? 0.9313 1.0193 0.8822 -0.0551 0.0048 -0.0390 510 MAN A O2 12143 O O3 . MAN N . ? 0.8359 0.9256 0.7873 -0.0578 0.0081 -0.0404 510 MAN A O3 12144 O O4 . MAN N . ? 0.8752 0.9494 0.8142 -0.0630 0.0078 -0.0376 510 MAN A O4 12145 O O5 . MAN N . ? 0.8650 0.9373 0.8071 -0.0545 0.0034 -0.0348 510 MAN A O5 12146 O O6 . MAN N . ? 1.0532 1.1111 0.9847 -0.0600 0.0033 -0.0326 510 MAN A O6 12147 C C1 . MAN O . ? 0.7918 0.8182 0.7100 -0.0560 -0.0027 -0.0218 511 MAN A C1 12148 C C2 . MAN O . ? 0.8386 0.8600 0.7531 -0.0576 -0.0033 -0.0202 511 MAN A C2 12149 C C3 . MAN O . ? 0.9177 0.9328 0.8307 -0.0566 -0.0054 -0.0186 511 MAN A C3 12150 C C4 . MAN O . ? 0.9402 0.9538 0.8516 -0.0588 -0.0055 -0.0194 511 MAN A C4 12151 C C5 . MAN O . ? 0.8363 0.8563 0.7507 -0.0588 -0.0039 -0.0218 511 MAN A C5 12152 C C6 . MAN O . ? 0.8671 0.8861 0.7797 -0.0615 -0.0037 -0.0229 511 MAN A C6 12153 O O2 . MAN O . ? 0.7668 0.7871 0.6775 -0.0621 -0.0023 -0.0207 511 MAN A O2 12154 O O3 . MAN O . ? 1.0384 1.0475 0.9486 -0.0567 -0.0071 -0.0164 511 MAN A O3 12155 O O4 . MAN O . ? 1.0308 1.0407 0.9430 -0.0565 -0.0071 -0.0186 511 MAN A O4 12156 O O5 . MAN O . ? 0.8119 0.8379 0.7281 -0.0592 -0.0022 -0.0229 511 MAN A O5 12157 O O6 . MAN O . ? 0.9586 0.9709 0.8663 -0.0649 -0.0045 -0.0220 511 MAN A O6 12158 C C1 . MAN P . ? 1.2779 1.2848 1.1848 -0.0589 -0.0070 -0.0154 512 MAN A C1 12159 C C2 . MAN P . ? 1.3191 1.3308 1.2285 -0.0574 -0.0058 -0.0158 512 MAN A C2 12160 C C3 . MAN P . ? 1.3516 1.3657 1.2657 -0.0525 -0.0064 -0.0157 512 MAN A C3 12161 C C4 . MAN P . ? 1.4188 1.4277 1.3329 -0.0505 -0.0087 -0.0140 512 MAN A C4 12162 C C5 . MAN P . ? 1.4219 1.4240 1.3316 -0.0534 -0.0101 -0.0130 512 MAN A C5 12163 C C6 . MAN P . ? 1.3732 1.3688 1.2820 -0.0520 -0.0127 -0.0108 512 MAN A C6 12164 O O2 . MAN P . ? 1.1224 1.1300 1.0283 -0.0588 -0.0066 -0.0142 512 MAN A O2 12165 O O3 . MAN P . ? 1.0997 1.1167 1.0157 -0.0509 -0.0057 -0.0156 512 MAN A O3 12166 O O4 . MAN P . ? 1.3418 1.3540 1.2597 -0.0477 -0.0084 -0.0151 512 MAN A O4 12167 O O5 . MAN P . ? 1.2997 1.3007 1.2052 -0.0577 -0.0093 -0.0132 512 MAN A O5 12168 O O6 . MAN P . ? 1.1633 1.1534 1.0691 -0.0540 -0.0139 -0.0103 512 MAN A O6 12169 CA CA . CA Q . ? 0.9829 1.0727 0.9426 -0.0219 -0.0090 0.0114 501 CA B CA 12170 C C1 . NAG R . ? 0.9852 1.0114 0.9818 0.0395 -0.0026 0.0019 502 NAG B C1 12171 C C2 . NAG R . ? 1.0097 1.0360 1.0108 0.0425 -0.0011 0.0005 502 NAG B C2 12172 C C3 . NAG R . ? 1.0437 1.0697 1.0499 0.0442 -0.0031 0.0027 502 NAG B C3 12173 C C4 . NAG R . ? 1.1943 1.2163 1.1991 0.0430 -0.0057 0.0049 502 NAG B C4 12174 C C5 . NAG R . ? 1.2253 1.2470 1.2244 0.0398 -0.0065 0.0056 502 NAG B C5 12175 C C6 . NAG R . ? 1.1762 1.1935 1.1733 0.0384 -0.0088 0.0072 502 NAG B C6 12176 C C7 . NAG R . ? 0.9989 1.0302 1.0001 0.0435 0.0032 -0.0032 502 NAG B C7 12177 C C8 . NAG R . ? 1.0076 1.0442 1.0102 0.0436 0.0050 -0.0040 502 NAG B C8 12178 N N2 . NAG R . ? 1.0342 1.0655 1.0366 0.0429 0.0006 -0.0003 502 NAG B N2 12179 O O3 . NAG R . ? 0.9578 0.9821 0.9676 0.0470 -0.0016 0.0008 502 NAG B O3 12180 O O4 . NAG R . ? 1.3925 1.4165 1.4014 0.0436 -0.0079 0.0079 502 NAG B O4 12181 O O5 . NAG R . ? 0.9789 1.0004 0.9744 0.0391 -0.0044 0.0029 502 NAG B O5 12182 O O6 . NAG R . ? 1.2101 1.2222 1.2079 0.0400 -0.0084 0.0058 502 NAG B O6 12183 O O7 . NAG R . ? 0.8290 0.8562 0.8281 0.0437 0.0042 -0.0053 502 NAG B O7 12184 C C1 . NAG S . ? 1.5201 1.5393 1.5315 0.0452 -0.0093 0.0086 503 NAG B C1 12185 C C2 . NAG S . ? 1.4308 1.4516 1.4459 0.0453 -0.0123 0.0124 503 NAG B C2 12186 C C3 . NAG S . ? 1.4774 1.4929 1.4957 0.0474 -0.0137 0.0129 503 NAG B C3 12187 C C4 . NAG S . ? 1.5213 1.5347 1.5426 0.0504 -0.0111 0.0095 503 NAG B C4 12188 C C5 . NAG S . ? 1.5068 1.5190 1.5231 0.0495 -0.0082 0.0060 503 NAG B C5 12189 C C6 . NAG S . ? 1.4646 1.4747 1.4833 0.0522 -0.0056 0.0025 503 NAG B C6 12190 C C7 . NAG S . ? 1.4064 1.4332 1.4180 0.0406 -0.0155 0.0171 503 NAG B C7 12191 C C8 . NAG S . ? 1.2726 1.2997 1.2798 0.0371 -0.0173 0.0192 503 NAG B C8 12192 N N2 . NAG S . ? 1.3914 1.4132 1.4027 0.0421 -0.0144 0.0149 503 NAG B N2 12193 O O3 . NAG S . ? 1.4309 1.4482 1.4538 0.0481 -0.0163 0.0163 503 NAG B O3 12194 O O4 . NAG S . ? 1.5669 1.5745 1.5904 0.0521 -0.0122 0.0097 503 NAG B O4 12195 O O5 . NAG S . ? 1.5290 1.5467 1.5435 0.0481 -0.0073 0.0060 503 NAG B O5 12196 O O6 . NAG S . ? 1.3135 1.3256 1.3291 0.0516 -0.0026 -0.0004 503 NAG B O6 12197 O O7 . NAG S . ? 1.4090 1.4404 1.4241 0.0417 -0.0150 0.0174 503 NAG B O7 12198 C C1 . NAG T . ? 1.4291 1.5118 1.4886 0.0071 -0.0021 -0.0371 504 NAG B C1 12199 C C2 . NAG T . ? 1.5426 1.6255 1.6093 0.0084 -0.0018 -0.0395 504 NAG B C2 12200 C C3 . NAG T . ? 1.5936 1.6781 1.6679 0.0098 -0.0032 -0.0403 504 NAG B C3 12201 C C4 . NAG T . ? 1.6579 1.7458 1.7331 0.0088 -0.0028 -0.0407 504 NAG B C4 12202 C C5 . NAG T . ? 1.7164 1.8026 1.7837 0.0078 -0.0039 -0.0376 504 NAG B C5 12203 C C6 . NAG T . ? 1.5118 1.6001 1.5792 0.0070 -0.0046 -0.0371 504 NAG B C6 12204 C C7 . NAG T . ? 1.2471 1.3246 1.3097 0.0092 -0.0021 -0.0382 504 NAG B C7 12205 C C8 . NAG T . ? 1.1173 1.1909 1.1808 0.0105 -0.0037 -0.0371 504 NAG B C8 12206 N N2 . NAG T . ? 1.4126 1.4917 1.4793 0.0097 -0.0031 -0.0383 504 NAG B N2 12207 O O3 . NAG T . ? 1.3622 1.4481 1.4434 0.0105 -0.0018 -0.0434 504 NAG B O3 12208 O O4 . NAG T . ? 1.6148 1.7033 1.6969 0.0103 -0.0048 -0.0407 504 NAG B O4 12209 O O5 . NAG T . ? 1.7124 1.7982 1.7739 0.0063 -0.0018 -0.0379 504 NAG B O5 12210 O O6 . NAG T . ? 1.4858 1.5774 1.5514 0.0049 -0.0021 -0.0386 504 NAG B O6 12211 O O7 . NAG T . ? 1.0936 1.1725 1.1518 0.0075 0.0000 -0.0389 504 NAG B O7 12212 C C1 . NAG U . ? 0.5511 0.5843 0.5042 -0.0194 -0.0152 0.0033 505 NAG B C1 12213 C C2 . NAG U . ? 0.6657 0.6950 0.6163 -0.0213 -0.0164 0.0048 505 NAG B C2 12214 C C3 . NAG U . ? 0.6882 0.7182 0.6387 -0.0239 -0.0166 0.0042 505 NAG B C3 12215 C C4 . NAG U . ? 0.6700 0.7003 0.6219 -0.0227 -0.0165 0.0023 505 NAG B C4 12216 C C5 . NAG U . ? 0.5936 0.6272 0.5480 -0.0205 -0.0154 0.0010 505 NAG B C5 12217 C C6 . NAG U . ? 0.5740 0.6072 0.5295 -0.0189 -0.0155 -0.0005 505 NAG B C6 12218 C C7 . NAG U . ? 0.7291 0.7551 0.6774 -0.0213 -0.0177 0.0084 505 NAG B C7 12219 C C8 . NAG U . ? 0.7110 0.7377 0.6581 -0.0233 -0.0182 0.0106 505 NAG B C8 12220 N N2 . NAG U . ? 0.6652 0.6944 0.6145 -0.0227 -0.0169 0.0068 505 NAG B N2 12221 O O3 . NAG U . ? 0.7290 0.7543 0.6771 -0.0248 -0.0179 0.0055 505 NAG B O3 12222 O O4 . NAG U . ? 0.8224 0.8542 0.7747 -0.0254 -0.0166 0.0017 505 NAG B O4 12223 O O5 . NAG U . ? 0.5418 0.5744 0.4958 -0.0183 -0.0152 0.0018 505 NAG B O5 12224 O O6 . NAG U . ? 0.5713 0.6000 0.5252 -0.0164 -0.0160 -0.0002 505 NAG B O6 12225 O O7 . NAG U . ? 0.7306 0.7529 0.6788 -0.0187 -0.0180 0.0083 505 NAG B O7 12226 C C1 . NAG V . ? 0.8127 0.8414 0.7645 -0.0246 -0.0174 0.0009 506 NAG B C1 12227 C C2 . NAG V . ? 0.7661 0.7980 0.7198 -0.0264 -0.0174 -0.0003 506 NAG B C2 12228 C C3 . NAG V . ? 0.9845 1.0130 0.9370 -0.0266 -0.0185 -0.0008 506 NAG B C3 12229 C C4 . NAG V . ? 1.0596 1.0822 1.0087 -0.0271 -0.0196 0.0006 506 NAG B C4 12230 C C5 . NAG V . ? 0.9034 0.9232 0.8513 -0.0247 -0.0195 0.0016 506 NAG B C5 12231 C C6 . NAG V . ? 0.9319 0.9461 0.8768 -0.0254 -0.0205 0.0031 506 NAG B C6 12232 C C7 . NAG V . ? 0.7830 0.8237 0.7426 -0.0256 -0.0156 -0.0029 506 NAG B C7 12233 C C8 . NAG V . ? 0.7271 0.7703 0.6897 -0.0234 -0.0151 -0.0044 506 NAG B C8 12234 N N2 . NAG V . ? 0.6846 0.7198 0.6411 -0.0247 -0.0166 -0.0018 506 NAG B N2 12235 O O3 . NAG V . ? 0.8575 0.8891 0.8120 -0.0287 -0.0186 -0.0018 506 NAG B O3 12236 O O4 . NAG V . ? 1.0051 1.0243 0.9530 -0.0270 -0.0206 0.0000 506 NAG B O4 12237 O O5 . NAG V . ? 1.0225 1.0459 0.9715 -0.0252 -0.0186 0.0022 506 NAG B O5 12238 O O6 . NAG V . ? 0.9356 0.9510 0.8799 -0.0285 -0.0208 0.0043 506 NAG B O6 12239 O O7 . NAG V . ? 0.8890 0.9326 0.8490 -0.0281 -0.0149 -0.0027 506 NAG B O7 12240 C C1 . BMA W . ? 1.0839 1.1006 1.0299 -0.0297 -0.0215 0.0007 507 BMA B C1 12241 C C2 . BMA W . ? 1.0562 1.0665 0.9994 -0.0289 -0.0226 0.0007 507 BMA B C2 12242 C C3 . BMA W . ? 1.0823 1.0895 1.0233 -0.0319 -0.0236 0.0016 507 BMA B C3 12243 C C4 . BMA W . ? 1.0956 1.1075 1.0384 -0.0349 -0.0236 0.0011 507 BMA B C4 12244 C C5 . BMA W . ? 1.1690 1.1874 1.1148 -0.0352 -0.0223 0.0009 507 BMA B C5 12245 C C6 . BMA W . ? 1.1786 1.2021 1.1267 -0.0378 -0.0220 0.0001 507 BMA B C6 12246 O O2 . BMA W . ? 0.9621 0.9732 0.9062 -0.0280 -0.0227 -0.0008 507 BMA B O2 12247 O O3 . BMA W . ? 1.0714 1.0729 1.0100 -0.0313 -0.0246 0.0013 507 BMA B O3 12248 O O4 . BMA W . ? 0.9711 0.9808 0.9120 -0.0379 -0.0244 0.0022 507 BMA B O4 12249 O O5 . BMA W . ? 1.1473 1.1679 1.0950 -0.0322 -0.0215 0.0000 507 BMA B O5 12250 O O6 . BMA W . ? 1.2374 1.2652 1.1868 -0.0390 -0.0209 0.0005 507 BMA B O6 12251 C C1 . MAN X . ? 1.1373 1.1333 1.0732 -0.0322 -0.0254 0.0028 508 MAN B C1 12252 C C2 . MAN X . ? 1.1843 1.1745 1.1178 -0.0319 -0.0263 0.0020 508 MAN B C2 12253 C C3 . MAN X . ? 1.1108 1.0982 1.0439 -0.0283 -0.0258 0.0010 508 MAN B C3 12254 C C4 . MAN X . ? 1.1097 1.0956 1.0429 -0.0263 -0.0254 0.0023 508 MAN B C4 12255 C C5 . MAN X . ? 1.0968 1.0889 1.0324 -0.0269 -0.0246 0.0032 508 MAN B C5 12256 C C6 . MAN X . ? 1.0712 1.0634 1.0075 -0.0252 -0.0242 0.0046 508 MAN B C6 12257 O O2 . MAN X . ? 1.2858 1.2710 1.2170 -0.0335 -0.0273 0.0032 508 MAN B O2 12258 O O3 . MAN X . ? 0.9474 0.9296 0.8781 -0.0281 -0.0264 0.0001 508 MAN B O3 12259 O O4 . MAN X . ? 1.0221 1.0056 0.9551 -0.0231 -0.0248 0.0014 508 MAN B O4 12260 O O5 . MAN X . ? 1.0150 1.0094 0.9507 -0.0303 -0.0251 0.0040 508 MAN B O5 12261 O O6 . MAN X . ? 1.0115 1.0098 0.9502 -0.0246 -0.0232 0.0043 508 MAN B O6 12262 C C1 . MAN Y . ? 1.4374 1.4207 1.3670 -0.0363 -0.0282 0.0028 509 MAN B C1 12263 C C2 . MAN Y . ? 1.4562 1.4319 1.3829 -0.0366 -0.0293 0.0036 509 MAN B C2 12264 C C3 . MAN Y . ? 1.4077 1.3833 1.3343 -0.0381 -0.0296 0.0060 509 MAN B C3 12265 C C4 . MAN Y . ? 1.4072 1.3884 1.3349 -0.0415 -0.0295 0.0066 509 MAN B C4 12266 C C5 . MAN Y . ? 1.3955 1.3841 1.3262 -0.0409 -0.0283 0.0052 509 MAN B C5 12267 C C6 . MAN Y . ? 1.3450 1.3389 1.2769 -0.0445 -0.0282 0.0053 509 MAN B C6 12268 O O2 . MAN Y . ? 1.3603 1.3325 1.2849 -0.0386 -0.0302 0.0029 509 MAN B O2 12269 O O3 . MAN Y . ? 1.3734 1.3419 1.2976 -0.0385 -0.0307 0.0070 509 MAN B O3 12270 O O4 . MAN Y . ? 1.2478 1.2295 1.1753 -0.0426 -0.0296 0.0087 509 MAN B O4 12271 O O5 . MAN Y . ? 1.3616 1.3498 1.2926 -0.0394 -0.0283 0.0033 509 MAN B O5 12272 O O6 . MAN Y . ? 1.2850 1.2766 1.2156 -0.0468 -0.0292 0.0049 509 MAN B O6 12273 C C1 . MAN Z . ? 1.4643 1.4977 1.4166 -0.0412 -0.0203 -0.0006 510 MAN B C1 12274 C C2 . MAN Z . ? 1.5316 1.5701 1.4855 -0.0425 -0.0188 -0.0006 510 MAN B C2 12275 C C3 . MAN Z . ? 1.4573 1.5021 1.4157 -0.0434 -0.0179 -0.0026 510 MAN B C3 12276 C C4 . MAN Z . ? 1.4288 1.4732 1.3872 -0.0458 -0.0190 -0.0029 510 MAN B C4 12277 C C5 . MAN Z . ? 1.4644 1.5022 1.4197 -0.0450 -0.0208 -0.0021 510 MAN B C5 12278 C C6 . MAN Z . ? 1.4401 1.4769 1.3947 -0.0477 -0.0219 -0.0021 510 MAN B C6 12279 O O2 . MAN Z . ? 1.4641 1.5014 1.4154 -0.0455 -0.0190 0.0009 510 MAN B O2 12280 O O3 . MAN Z . ? 1.6548 1.7050 1.6152 -0.0447 -0.0162 -0.0031 510 MAN B O3 12281 O O4 . MAN Z . ? 1.2135 1.2625 1.1762 -0.0454 -0.0187 -0.0047 510 MAN B O4 12282 O O5 . MAN Z . ? 1.4951 1.5277 1.4466 -0.0442 -0.0211 -0.0004 510 MAN B O5 12283 O O6 . MAN Z . ? 1.4261 1.4658 1.3809 -0.0515 -0.0214 -0.0018 510 MAN B O6 12284 C C1 . MAN AA . ? 1.6192 1.6725 1.5821 -0.0422 -0.0150 -0.0042 511 MAN B C1 12285 C C2 . MAN AA . ? 1.3571 1.4061 1.3176 -0.0392 -0.0154 -0.0030 511 MAN B C2 12286 C C3 . MAN AA . ? 1.2817 1.3327 1.2448 -0.0361 -0.0146 -0.0043 511 MAN B C3 12287 C C4 . MAN AA . ? 1.3960 1.4483 1.3623 -0.0347 -0.0151 -0.0058 511 MAN B C4 12288 C C5 . MAN AA . ? 1.5678 1.6225 1.5358 -0.0373 -0.0155 -0.0065 511 MAN B C5 12289 C C6 . MAN AA . ? 1.5036 1.5633 1.4768 -0.0366 -0.0150 -0.0085 511 MAN B C6 12290 O O2 . MAN AA . ? 0.9550 1.0026 0.9125 -0.0407 -0.0153 -0.0014 511 MAN B O2 12291 O O3 . MAN AA . ? 1.0318 1.0879 0.9969 -0.0371 -0.0130 -0.0050 511 MAN B O3 12292 O O4 . MAN AA . ? 0.9857 1.0330 0.9499 -0.0323 -0.0164 -0.0052 511 MAN B O4 12293 O O5 . MAN AA . ? 1.7737 1.8308 1.7411 -0.0407 -0.0146 -0.0062 511 MAN B O5 12294 O O6 . MAN AA . ? 1.1292 1.1869 1.1029 -0.0357 -0.0166 -0.0086 511 MAN B O6 12295 CA CA . CA BA . ? 1.0852 1.0923 1.0304 -0.0151 -0.0024 -0.0191 501 CA C CA 12296 C C1 . NAG CA . ? 0.8231 0.8764 0.8205 0.0315 0.0061 -0.0203 502 NAG C C1 12297 C C2 . NAG CA . ? 0.9409 0.9986 0.9428 0.0342 0.0059 -0.0206 502 NAG C C2 12298 C C3 . NAG CA . ? 1.0136 1.0683 1.0139 0.0375 0.0064 -0.0214 502 NAG C C3 12299 C C4 . NAG CA . ? 1.0479 1.0988 1.0444 0.0374 0.0086 -0.0222 502 NAG C C4 12300 C C5 . NAG CA . ? 1.0218 1.0685 1.0139 0.0343 0.0081 -0.0215 502 NAG C C5 12301 C C6 . NAG CA . ? 0.9949 1.0371 0.9824 0.0334 0.0098 -0.0220 502 NAG C C6 12302 C C7 . NAG CA . ? 0.7934 0.8590 0.8024 0.0337 0.0032 -0.0196 502 NAG C C7 12303 C C8 . NAG CA . ? 0.7747 0.8412 0.7851 0.0334 0.0006 -0.0187 502 NAG C C8 12304 N N2 . NAG CA . ? 0.8421 0.9016 0.8461 0.0340 0.0035 -0.0198 502 NAG C N2 12305 O O3 . NAG CA . ? 1.0321 1.0917 1.0372 0.0401 0.0067 -0.0219 502 NAG C O3 12306 O O4 . NAG CA . ? 1.3064 1.3539 1.3010 0.0406 0.0086 -0.0227 502 NAG C O4 12307 O O5 . NAG CA . ? 0.8402 0.8911 0.8350 0.0317 0.0081 -0.0210 502 NAG C O5 12308 O O6 . NAG CA . ? 0.9504 0.9963 0.9399 0.0325 0.0119 -0.0225 502 NAG C O6 12309 O O7 . NAG CA . ? 0.7382 0.8083 0.7503 0.0334 0.0049 -0.0201 502 NAG C O7 12310 C C1 . NAG DA . ? 1.4479 1.4942 1.4413 0.0421 0.0110 -0.0238 503 NAG C C1 12311 C C2 . NAG DA . ? 1.4590 1.4988 1.4479 0.0447 0.0104 -0.0241 503 NAG C C2 12312 C C3 . NAG DA . ? 1.5043 1.5447 1.4947 0.0486 0.0117 -0.0253 503 NAG C C3 12313 C C4 . NAG DA . ? 1.6302 1.6779 1.6263 0.0493 0.0138 -0.0261 503 NAG C C4 12314 C C5 . NAG DA . ? 1.6383 1.6886 1.6349 0.0453 0.0149 -0.0258 503 NAG C C5 12315 C C6 . NAG DA . ? 1.4989 1.5548 1.4991 0.0449 0.0176 -0.0267 503 NAG C C6 12316 C C7 . NAG DA . ? 1.2675 1.2962 1.2461 0.0410 0.0094 -0.0233 503 NAG C C7 12317 C C8 . NAG DA . ? 1.1808 1.2041 1.1536 0.0389 0.0103 -0.0234 503 NAG C C8 12318 N N2 . NAG DA . ? 1.3769 1.4106 1.3597 0.0426 0.0111 -0.0241 503 NAG C N2 12319 O O3 . NAG DA . ? 1.3234 1.3630 1.3148 0.0517 0.0098 -0.0251 503 NAG C O3 12320 O O4 . NAG DA . ? 1.5681 1.6144 1.5633 0.0520 0.0160 -0.0274 503 NAG C O4 12321 O O5 . NAG DA . ? 1.4269 1.4793 1.4254 0.0436 0.0126 -0.0246 503 NAG C O5 12322 O O6 . NAG DA . ? 1.5017 1.5650 1.5083 0.0451 0.0169 -0.0265 503 NAG C O6 12323 O O7 . NAG DA . ? 0.9877 1.0161 0.9668 0.0412 0.0072 -0.0226 503 NAG C O7 12324 C C1 . NAG EA . ? 1.1211 1.1788 1.1505 0.0208 -0.0229 -0.0242 504 NAG C C1 12325 C C2 . NAG EA . ? 1.1846 1.2480 1.2201 0.0221 -0.0230 -0.0253 504 NAG C C2 12326 C C3 . NAG EA . ? 1.2441 1.3074 1.2819 0.0248 -0.0257 -0.0254 504 NAG C C3 12327 C C4 . NAG EA . ? 1.3124 1.3710 1.3462 0.0246 -0.0284 -0.0238 504 NAG C C4 12328 C C5 . NAG EA . ? 1.3237 1.3768 1.3517 0.0235 -0.0274 -0.0231 504 NAG C C5 12329 C C6 . NAG EA . ? 1.2807 1.3282 1.3042 0.0236 -0.0298 -0.0217 504 NAG C C6 12330 C C7 . NAG EA . ? 0.9990 1.0685 1.0383 0.0209 -0.0182 -0.0275 504 NAG C C7 12331 C C8 . NAG EA . ? 1.0432 1.1136 1.0834 0.0212 -0.0154 -0.0289 504 NAG C C8 12332 N N2 . NAG EA . ? 1.1670 1.2325 1.2043 0.0224 -0.0203 -0.0267 504 NAG C N2 12333 O O3 . NAG EA . ? 1.1200 1.1890 1.1633 0.0255 -0.0263 -0.0261 504 NAG C O3 12334 O O4 . NAG EA . ? 1.1161 1.1742 1.1519 0.0272 -0.0310 -0.0238 504 NAG C O4 12335 O O5 . NAG EA . ? 1.1910 1.2452 1.2176 0.0209 -0.0254 -0.0229 504 NAG C O5 12336 O O6 . NAG EA . ? 1.2275 1.2743 1.2487 0.0214 -0.0307 -0.0205 504 NAG C O6 12337 O O7 . NAG EA . ? 0.8859 0.9578 0.9259 0.0191 -0.0183 -0.0272 504 NAG C O7 12338 C C1 . NAG FA . ? 0.5294 0.5286 0.4658 -0.0137 -0.0063 -0.0130 505 NAG C C1 12339 C C2 . NAG FA . ? 0.5509 0.5458 0.4818 -0.0149 -0.0052 -0.0132 505 NAG C C2 12340 C C3 . NAG FA . ? 0.5987 0.5904 0.5260 -0.0168 -0.0068 -0.0126 505 NAG C C3 12341 C C4 . NAG FA . ? 0.5738 0.5672 0.5032 -0.0167 -0.0074 -0.0122 505 NAG C C4 12342 C C5 . NAG FA . ? 0.5586 0.5563 0.4935 -0.0153 -0.0086 -0.0121 505 NAG C C5 12343 C C6 . NAG FA . ? 0.5222 0.5212 0.4589 -0.0152 -0.0092 -0.0118 505 NAG C C6 12344 C C7 . NAG FA . ? 0.6102 0.6030 0.5386 -0.0140 -0.0030 -0.0141 505 NAG C C7 12345 C C8 . NAG FA . ? 0.5393 0.5301 0.4656 -0.0143 -0.0032 -0.0143 505 NAG C C8 12346 N N2 . NAG FA . ? 0.5607 0.5541 0.4899 -0.0150 -0.0051 -0.0134 505 NAG C N2 12347 O O3 . NAG FA . ? 0.6237 0.6116 0.5460 -0.0178 -0.0052 -0.0129 505 NAG C O3 12348 O O4 . NAG FA . ? 0.5825 0.5730 0.5089 -0.0184 -0.0095 -0.0115 505 NAG C O4 12349 O O5 . NAG FA . ? 0.5619 0.5623 0.4998 -0.0137 -0.0070 -0.0127 505 NAG C O5 12350 O O6 . NAG FA . ? 0.4997 0.4991 0.4360 -0.0150 -0.0069 -0.0122 505 NAG C O6 12351 O O7 . NAG FA . ? 0.6680 0.6620 0.5974 -0.0129 -0.0010 -0.0146 505 NAG C O7 12352 C C1 . NAG GA . ? 0.5851 0.5733 0.5083 -0.0195 -0.0087 -0.0115 506 NAG C C1 12353 C C2 . NAG GA . ? 0.5910 0.5763 0.5115 -0.0210 -0.0114 -0.0106 506 NAG C C2 12354 C C3 . NAG GA . ? 0.6082 0.5906 0.5247 -0.0225 -0.0105 -0.0105 506 NAG C C3 12355 C C4 . NAG GA . ? 0.5997 0.5794 0.5120 -0.0233 -0.0079 -0.0112 506 NAG C C4 12356 C C5 . NAG GA . ? 0.5836 0.5668 0.4994 -0.0214 -0.0053 -0.0120 506 NAG C C5 12357 C C6 . NAG GA . ? 0.5898 0.5702 0.5013 -0.0220 -0.0027 -0.0128 506 NAG C C6 12358 C C7 . NAG GA . ? 0.6791 0.6678 0.6054 -0.0200 -0.0160 -0.0097 506 NAG C C7 12359 C C8 . NAG GA . ? 0.6581 0.6497 0.5889 -0.0187 -0.0178 -0.0093 506 NAG C C8 12360 N N2 . NAG GA . ? 0.6505 0.6386 0.5752 -0.0201 -0.0133 -0.0102 506 NAG C N2 12361 O O3 . NAG GA . ? 0.6843 0.6633 0.5977 -0.0240 -0.0131 -0.0097 506 NAG C O3 12362 O O4 . NAG GA . ? 0.6239 0.6016 0.5332 -0.0246 -0.0070 -0.0111 506 NAG C O4 12363 O O5 . NAG GA . ? 0.5464 0.5318 0.4655 -0.0202 -0.0065 -0.0120 506 NAG C O5 12364 O O6 . NAG GA . ? 0.6601 0.6369 0.5680 -0.0232 -0.0042 -0.0124 506 NAG C O6 12365 O O7 . NAG GA . ? 0.6557 0.6428 0.5801 -0.0208 -0.0170 -0.0095 506 NAG C O7 12366 C C1 . BMA HA . ? 0.6799 0.6526 0.5829 -0.0267 -0.0066 -0.0111 507 BMA C C1 12367 C C2 . BMA HA . ? 0.6998 0.6710 0.5996 -0.0278 -0.0039 -0.0117 507 BMA C C2 12368 C C3 . BMA HA . ? 0.7476 0.7131 0.6403 -0.0301 -0.0035 -0.0117 507 BMA C C3 12369 C C4 . BMA HA . ? 0.7381 0.7000 0.6278 -0.0316 -0.0071 -0.0105 507 BMA C C4 12370 C C5 . BMA HA . ? 0.7201 0.6845 0.6140 -0.0301 -0.0097 -0.0101 507 BMA C C5 12371 C C6 . BMA HA . ? 0.7660 0.7274 0.6576 -0.0315 -0.0135 -0.0089 507 BMA C C6 12372 O O2 . BMA HA . ? 0.6769 0.6487 0.5775 -0.0283 -0.0049 -0.0112 507 BMA C O2 12373 O O3 . BMA HA . ? 0.7753 0.7387 0.6642 -0.0316 -0.0012 -0.0121 507 BMA C O3 12374 O O4 . BMA HA . ? 0.7785 0.7349 0.6615 -0.0337 -0.0068 -0.0106 507 BMA C O4 12375 O O5 . BMA HA . ? 0.6730 0.6427 0.5735 -0.0280 -0.0097 -0.0102 507 BMA C O5 12376 O O6 . BMA HA . ? 0.9192 0.8818 0.8128 -0.0307 -0.0151 -0.0087 507 BMA C O6 12377 C C1 . MAN IA . ? 0.8340 0.7963 0.7205 -0.0317 0.0021 -0.0132 508 MAN C C1 12378 C C2 . MAN IA . ? 0.9816 0.9436 0.8661 -0.0329 0.0048 -0.0138 508 MAN C C2 12379 C C3 . MAN IA . ? 0.9188 0.8867 0.8090 -0.0310 0.0073 -0.0146 508 MAN C C3 12380 C C4 . MAN IA . ? 0.9131 0.8838 0.8067 -0.0286 0.0090 -0.0154 508 MAN C C4 12381 C C5 . MAN IA . ? 0.8511 0.8224 0.7471 -0.0275 0.0059 -0.0146 508 MAN C C5 12382 C C6 . MAN IA . ? 0.7992 0.7735 0.6990 -0.0250 0.0070 -0.0153 508 MAN C C6 12383 O O2 . MAN IA . ? 1.1613 1.1196 1.0405 -0.0341 0.0072 -0.0146 508 MAN C O2 12384 O O3 . MAN IA . ? 0.8571 0.8244 0.7448 -0.0324 0.0102 -0.0153 508 MAN C O3 12385 O O4 . MAN IA . ? 1.0060 0.9821 0.9049 -0.0269 0.0110 -0.0161 508 MAN C O4 12386 O O5 . MAN IA . ? 0.7530 0.7192 0.6439 -0.0292 0.0038 -0.0140 508 MAN C O5 12387 O O6 . MAN IA . ? 0.8918 0.8671 0.7944 -0.0243 0.0040 -0.0145 508 MAN C O6 12388 C C1 . MAN JA . ? 1.1985 1.1509 1.0707 -0.0370 0.0062 -0.0140 509 MAN C C1 12389 C C2 . MAN JA . ? 1.2489 1.1995 1.1173 -0.0378 0.0103 -0.0153 509 MAN C C2 12390 C C3 . MAN JA . ? 1.1926 1.1407 1.0587 -0.0372 0.0108 -0.0158 509 MAN C C3 12391 C C4 . MAN JA . ? 1.1002 1.0430 0.9615 -0.0391 0.0074 -0.0146 509 MAN C C4 12392 C C5 . MAN JA . ? 1.1125 1.0568 0.9769 -0.0388 0.0031 -0.0133 509 MAN C C5 12393 C C6 . MAN JA . ? 1.1986 1.1372 1.0568 -0.0417 0.0006 -0.0122 509 MAN C C6 12394 O O2 . MAN JA . ? 1.3745 1.3208 1.2368 -0.0407 0.0114 -0.0155 509 MAN C O2 12395 O O3 . MAN JA . ? 1.2108 1.1568 1.0731 -0.0378 0.0145 -0.0170 509 MAN C O3 12396 O O4 . MAN JA . ? 1.0192 0.9616 0.8805 -0.0378 0.0080 -0.0151 509 MAN C O4 12397 O O5 . MAN JA . ? 1.0206 0.9699 0.8909 -0.0375 0.0028 -0.0131 509 MAN C O5 12398 O O6 . MAN JA . ? 1.1173 1.0533 0.9712 -0.0438 0.0024 -0.0125 509 MAN C O6 12399 C C1 . MAN KA . ? 1.0020 0.9609 0.8921 -0.0324 -0.0183 -0.0078 510 MAN C C1 12400 C C2 . MAN KA . ? 1.0705 1.0316 0.9636 -0.0316 -0.0200 -0.0077 510 MAN C C2 12401 C C3 . MAN KA . ? 1.2212 1.1801 1.1128 -0.0328 -0.0241 -0.0065 510 MAN C C3 12402 C C4 . MAN KA . ? 1.2356 1.1878 1.1191 -0.0354 -0.0242 -0.0062 510 MAN C C4 12403 C C5 . MAN KA . ? 1.0734 1.0236 0.9539 -0.0361 -0.0216 -0.0066 510 MAN C C5 12404 C C6 . MAN KA . ? 0.9996 0.9429 0.8719 -0.0390 -0.0223 -0.0061 510 MAN C C6 12405 O O2 . MAN KA . ? 0.9436 0.9030 0.8340 -0.0321 -0.0183 -0.0082 510 MAN C O2 12406 O O3 . MAN KA . ? 1.4817 1.4429 1.3766 -0.0322 -0.0268 -0.0061 510 MAN C O3 12407 O O4 . MAN KA . ? 1.5724 1.5221 1.4540 -0.0366 -0.0281 -0.0051 510 MAN C O4 12408 O O5 . MAN KA . ? 0.9871 0.9400 0.8697 -0.0348 -0.0180 -0.0077 510 MAN C O5 12409 O O6 . MAN KA . ? 0.8849 0.8251 0.7524 -0.0404 -0.0192 -0.0067 510 MAN C O6 12410 C C1 . MAN LA . ? 1.6483 1.6133 1.5473 -0.0310 -0.0262 -0.0066 511 MAN C C1 12411 C C2 . MAN LA . ? 1.5326 1.5032 1.4382 -0.0286 -0.0246 -0.0072 511 MAN C C2 12412 C C3 . MAN LA . ? 1.4516 1.4241 1.3605 -0.0276 -0.0268 -0.0066 511 MAN C C3 12413 C C4 . MAN LA . ? 1.5448 1.5179 1.4552 -0.0279 -0.0307 -0.0058 511 MAN C C4 12414 C C5 . MAN LA . ? 1.6495 1.6184 1.5546 -0.0302 -0.0322 -0.0053 511 MAN C C5 12415 C C6 . MAN LA . ? 1.6114 1.5827 1.5195 -0.0302 -0.0354 -0.0048 511 MAN C C6 12416 O O2 . MAN LA . ? 1.2786 1.2526 1.1879 -0.0276 -0.0246 -0.0075 511 MAN C O2 12417 O O3 . MAN LA . ? 1.2802 1.2574 1.1945 -0.0255 -0.0251 -0.0072 511 MAN C O3 12418 O O4 . MAN LA . ? 1.3923 1.3648 1.3032 -0.0276 -0.0331 -0.0051 511 MAN C O4 12419 O O5 . MAN LA . ? 1.7661 1.7326 1.6673 -0.0312 -0.0294 -0.0059 511 MAN C O5 12420 O O6 . MAN LA . ? 1.5108 1.4809 1.4186 -0.0305 -0.0389 -0.0039 511 MAN C O6 12421 CA CA . CA MA . ? 0.7939 0.8636 0.7653 -0.0225 -0.0166 -0.0069 501 CA D CA 12422 C C1 . NAG NA . ? 0.8625 0.8973 0.8478 0.0325 -0.0234 0.0010 502 NAG D C1 12423 C C2 . NAG NA . ? 0.9075 0.9370 0.8913 0.0359 -0.0237 0.0003 502 NAG D C2 12424 C C3 . NAG NA . ? 0.9592 0.9934 0.9462 0.0400 -0.0238 -0.0002 502 NAG D C3 12425 C C4 . NAG NA . ? 0.9777 1.0158 0.9664 0.0407 -0.0254 0.0017 502 NAG D C4 12426 C C5 . NAG NA . ? 0.9384 0.9812 0.9281 0.0366 -0.0249 0.0023 502 NAG D C5 12427 C C6 . NAG NA . ? 0.8786 0.9258 0.8698 0.0361 -0.0262 0.0041 502 NAG D C6 12428 C C7 . NAG NA . ? 0.8357 0.8551 0.8147 0.0351 -0.0223 -0.0018 502 NAG D C7 12429 C C8 . NAG NA . ? 0.8823 0.9000 0.8603 0.0342 -0.0207 -0.0038 502 NAG D C8 12430 N N2 . NAG NA . ? 0.8727 0.8997 0.8553 0.0353 -0.0222 -0.0015 502 NAG D N2 12431 O O3 . NAG NA . ? 0.7778 0.8062 0.7630 0.0433 -0.0241 -0.0009 502 NAG D O3 12432 O O4 . NAG NA . ? 1.1291 1.1721 1.1210 0.0446 -0.0254 0.0010 502 NAG D O4 12433 O O5 . NAG NA . ? 0.8756 0.9131 0.8621 0.0333 -0.0248 0.0027 502 NAG D O5 12434 O O6 . NAG NA . ? 0.8841 0.9260 0.8723 0.0349 -0.0276 0.0060 502 NAG D O6 12435 O O7 . NAG NA . ? 0.8264 0.8399 0.8026 0.0355 -0.0237 -0.0004 502 NAG D O7 12436 C C1 . NAG OA . ? 1.3678 1.4100 1.3598 0.0476 -0.0273 0.0027 503 NAG D C1 12437 C C2 . NAG OA . ? 1.4506 1.5019 1.4471 0.0502 -0.0274 0.0025 503 NAG D C2 12438 C C3 . NAG OA . ? 1.5486 1.5991 1.5451 0.0528 -0.0296 0.0047 503 NAG D C3 12439 C C4 . NAG OA . ? 1.6253 1.6671 1.6190 0.0564 -0.0305 0.0047 503 NAG D C4 12440 C C5 . NAG OA . ? 1.6401 1.6731 1.6292 0.0533 -0.0303 0.0047 503 NAG D C5 12441 C C6 . NAG OA . ? 1.5269 1.5502 1.5124 0.0562 -0.0313 0.0047 503 NAG D C6 12442 C C7 . NAG OA . ? 1.1554 1.2191 1.1561 0.0457 -0.0247 0.0006 503 NAG D C7 12443 C C8 . NAG OA . ? 1.0598 1.1296 1.0619 0.0420 -0.0242 0.0009 503 NAG D C8 12444 N N2 . NAG OA . ? 1.3296 1.3882 1.3283 0.0468 -0.0265 0.0024 503 NAG D N2 12445 O O3 . NAG OA . ? 1.4439 1.5030 1.4445 0.0551 -0.0299 0.0048 503 NAG D O3 12446 O O4 . NAG OA . ? 1.6196 1.6601 1.6130 0.0589 -0.0328 0.0068 503 NAG D O4 12447 O O5 . NAG OA . ? 1.5047 1.5393 1.4942 0.0507 -0.0282 0.0027 503 NAG D O5 12448 O O6 . NAG OA . ? 1.3317 1.3475 1.3128 0.0527 -0.0313 0.0051 503 NAG D O6 12449 O O7 . NAG OA . ? 1.0984 1.1619 1.0995 0.0475 -0.0235 -0.0013 503 NAG D O7 12450 C C1 . NAG PA . ? 1.0908 1.1447 1.0688 0.0439 -0.0236 -0.0134 504 NAG D C1 12451 C C2 . NAG PA . ? 1.1278 1.1792 1.1053 0.0474 -0.0253 -0.0128 504 NAG D C2 12452 C C3 . NAG PA . ? 1.1764 1.2347 1.1565 0.0516 -0.0250 -0.0138 504 NAG D C3 12453 C C4 . NAG PA . ? 1.3014 1.3592 1.2806 0.0534 -0.0239 -0.0163 504 NAG D C4 12454 C C5 . NAG PA . ? 1.3646 1.4265 1.3449 0.0499 -0.0222 -0.0168 504 NAG D C5 12455 C C6 . NAG PA . ? 1.3598 1.4202 1.3386 0.0512 -0.0211 -0.0192 504 NAG D C6 12456 C C7 . NAG PA . ? 1.2060 1.2500 1.1810 0.0419 -0.0269 -0.0095 504 NAG D C7 12457 C C8 . NAG PA . ? 1.0903 1.1345 1.0657 0.0397 -0.0279 -0.0073 504 NAG D C8 12458 N N2 . NAG PA . ? 1.1375 1.1880 1.1150 0.0450 -0.0263 -0.0105 504 NAG D N2 12459 O O3 . NAG PA . ? 0.9333 0.9905 0.9134 0.0557 -0.0265 -0.0135 504 NAG D O3 12460 O O4 . NAG PA . ? 1.4148 1.4781 1.3961 0.0579 -0.0237 -0.0175 504 NAG D O4 12461 O O5 . NAG PA . ? 1.2123 1.2711 1.1916 0.0453 -0.0223 -0.0152 504 NAG D O5 12462 O O6 . NAG PA . ? 1.4208 1.4812 1.3990 0.0473 -0.0199 -0.0194 504 NAG D O6 12463 O O7 . NAG PA . ? 1.0047 1.0426 0.9769 0.0405 -0.0267 -0.0102 504 NAG D O7 12464 C C1 . NAG QA . ? 0.4615 0.5416 0.4325 -0.0133 -0.0184 -0.0025 505 NAG D C1 12465 C C2 . NAG QA . ? 0.4676 0.5501 0.4378 -0.0149 -0.0192 -0.0013 505 NAG D C2 12466 C C3 . NAG QA . ? 0.4802 0.5646 0.4485 -0.0164 -0.0188 -0.0021 505 NAG D C3 12467 C C4 . NAG QA . ? 0.4630 0.5479 0.4314 -0.0161 -0.0184 -0.0023 505 NAG D C4 12468 C C5 . NAG QA . ? 0.5045 0.5872 0.4738 -0.0142 -0.0175 -0.0035 505 NAG D C5 12469 C C6 . NAG QA . ? 0.4835 0.5671 0.4529 -0.0139 -0.0171 -0.0037 505 NAG D C6 12470 C C7 . NAG QA . ? 0.5114 0.5945 0.4826 -0.0152 -0.0203 -0.0002 505 NAG D C7 12471 C C8 . NAG QA . ? 0.5572 0.6408 0.5279 -0.0160 -0.0203 -0.0007 505 NAG D C8 12472 N N2 . NAG QA . ? 0.4692 0.5517 0.4393 -0.0154 -0.0194 -0.0015 505 NAG D N2 12473 O O3 . NAG QA . ? 0.5462 0.6328 0.5138 -0.0181 -0.0197 -0.0009 505 NAG D O3 12474 O O4 . NAG QA . ? 0.4587 0.5454 0.4253 -0.0173 -0.0177 -0.0035 505 NAG D O4 12475 O O5 . NAG QA . ? 0.5304 0.6112 0.5013 -0.0132 -0.0181 -0.0025 505 NAG D O5 12476 O O6 . NAG QA . ? 0.4734 0.5575 0.4433 -0.0145 -0.0180 -0.0017 505 NAG D O6 12477 O O7 . NAG QA . ? 0.5170 0.6003 0.4895 -0.0145 -0.0209 0.0012 505 NAG D O7 12478 C C1 . NAG RA . ? 0.4747 0.5639 0.4407 -0.0186 -0.0181 -0.0025 506 NAG D C1 12479 C C2 . NAG RA . ? 0.5006 0.5917 0.4649 -0.0193 -0.0170 -0.0044 506 NAG D C2 12480 C C3 . NAG RA . ? 0.5455 0.6397 0.5088 -0.0212 -0.0172 -0.0036 506 NAG D C3 12481 C C4 . NAG RA . ? 0.5352 0.6303 0.4979 -0.0230 -0.0185 -0.0016 506 NAG D C4 12482 C C5 . NAG RA . ? 0.5542 0.6467 0.5187 -0.0217 -0.0196 0.0001 506 NAG D C5 12483 C C6 . NAG RA . ? 0.5341 0.6273 0.4984 -0.0229 -0.0211 0.0025 506 NAG D C6 12484 C C7 . NAG RA . ? 0.5915 0.6812 0.5557 -0.0168 -0.0149 -0.0082 506 NAG D C7 12485 C C8 . NAG RA . ? 0.5873 0.6766 0.5522 -0.0149 -0.0140 -0.0097 506 NAG D C8 12486 N N2 . NAG RA . ? 0.5237 0.6142 0.4886 -0.0177 -0.0159 -0.0060 506 NAG D N2 12487 O O3 . NAG RA . ? 0.6042 0.7009 0.5660 -0.0219 -0.0161 -0.0055 506 NAG D O3 12488 O O4 . NAG RA . ? 0.5811 0.6785 0.5428 -0.0246 -0.0189 -0.0006 506 NAG D O4 12489 O O5 . NAG RA . ? 0.5275 0.6178 0.4929 -0.0201 -0.0192 -0.0009 506 NAG D O5 12490 O O6 . NAG RA . ? 0.5990 0.6935 0.5621 -0.0240 -0.0209 0.0017 506 NAG D O6 12491 O O7 . NAG RA . ? 0.6648 0.7539 0.6276 -0.0175 -0.0148 -0.0090 506 NAG D O7 12492 C C1 . BMA SA . ? 0.5535 0.6533 0.5135 -0.0269 -0.0195 0.0001 507 BMA D C1 12493 C C2 . BMA SA . ? 0.5938 0.6948 0.5530 -0.0287 -0.0206 0.0024 507 BMA D C2 12494 C C3 . BMA SA . ? 0.6363 0.7398 0.5935 -0.0312 -0.0213 0.0033 507 BMA D C3 12495 C C4 . BMA SA . ? 0.6489 0.7550 0.6047 -0.0322 -0.0199 0.0007 507 BMA D C4 12496 C C5 . BMA SA . ? 0.6968 0.8011 0.6534 -0.0301 -0.0186 -0.0016 507 BMA D C5 12497 C C6 . BMA SA . ? 0.7136 0.8200 0.6684 -0.0308 -0.0172 -0.0042 507 BMA D C6 12498 O O2 . BMA SA . ? 0.5134 0.6160 0.4722 -0.0290 -0.0198 0.0016 507 BMA D O2 12499 O O3 . BMA SA . ? 0.6302 0.7352 0.5861 -0.0334 -0.0224 0.0053 507 BMA D O3 12500 O O4 . BMA SA . ? 0.6853 0.7933 0.6393 -0.0346 -0.0207 0.0017 507 BMA D O4 12501 O O5 . BMA SA . ? 0.6929 0.7949 0.6515 -0.0277 -0.0182 -0.0020 507 BMA D O5 12502 O O6 . BMA SA . ? 0.7541 0.8580 0.7092 -0.0290 -0.0162 -0.0064 507 BMA D O6 12503 C C1 . MAN TA . ? 0.6932 0.7978 0.6486 -0.0343 -0.0242 0.0077 508 MAN D C1 12504 C C2 . MAN TA . ? 0.8247 0.9298 0.7785 -0.0364 -0.0255 0.0101 508 MAN D C2 12505 C C3 . MAN TA . ? 0.7564 0.8580 0.7112 -0.0350 -0.0266 0.0119 508 MAN D C3 12506 C C4 . MAN TA . ? 0.6980 0.7966 0.6548 -0.0326 -0.0274 0.0128 508 MAN D C4 12507 C C5 . MAN TA . ? 0.6915 0.7902 0.6500 -0.0307 -0.0258 0.0103 508 MAN D C5 12508 C C6 . MAN TA . ? 0.6585 0.7550 0.6192 -0.0284 -0.0263 0.0107 508 MAN D C6 12509 O O2 . MAN TA . ? 0.9232 1.0291 0.8760 -0.0378 -0.0270 0.0120 508 MAN D O2 12510 O O3 . MAN TA . ? 0.7264 0.8281 0.6790 -0.0373 -0.0280 0.0143 508 MAN D O3 12511 O O4 . MAN TA . ? 0.7120 0.8071 0.6696 -0.0311 -0.0281 0.0141 508 MAN D O4 12512 O O5 . MAN TA . ? 0.5694 0.6711 0.5268 -0.0322 -0.0249 0.0086 508 MAN D O5 12513 O O6 . MAN TA . ? 0.7106 0.8068 0.6724 -0.0270 -0.0247 0.0082 508 MAN D O6 12514 C C1 . MAN UA . ? 1.0004 1.1097 0.9507 -0.0410 -0.0272 0.0122 509 MAN D C1 12515 C C2 . MAN UA . ? 1.0869 1.1956 1.0367 -0.0418 -0.0295 0.0153 509 MAN D C2 12516 C C3 . MAN UA . ? 1.0357 1.1450 0.9866 -0.0409 -0.0294 0.0147 509 MAN D C3 12517 C C4 . MAN UA . ? 1.0149 1.1271 0.9647 -0.0422 -0.0278 0.0120 509 MAN D C4 12518 C C5 . MAN UA . ? 1.0964 1.2101 1.0452 -0.0429 -0.0259 0.0095 509 MAN D C5 12519 C C6 . MAN UA . ? 1.1616 1.2792 1.1074 -0.0464 -0.0258 0.0094 509 MAN D C6 12520 O O2 . MAN UA . ? 1.0853 1.1960 1.0324 -0.0449 -0.0306 0.0170 509 MAN D O2 12521 O O3 . MAN UA . ? 0.9020 1.0116 0.8524 -0.0416 -0.0314 0.0173 509 MAN D O3 12522 O O4 . MAN UA . ? 0.9625 1.0733 0.9141 -0.0400 -0.0271 0.0106 509 MAN D O4 12523 O O5 . MAN UA . ? 0.9451 1.0568 0.8951 -0.0413 -0.0255 0.0094 509 MAN D O5 12524 O O6 . MAN UA . ? 1.0608 1.1799 1.0053 -0.0479 -0.0254 0.0095 509 MAN D O6 12525 C C1 . MAN VA . ? 0.8318 0.9357 0.7853 -0.0303 -0.0163 -0.0068 510 MAN D C1 12526 C C2 . MAN VA . ? 0.9593 1.0601 0.9128 -0.0284 -0.0153 -0.0091 510 MAN D C2 12527 C C3 . MAN VA . ? 1.0903 1.1921 1.0423 -0.0280 -0.0137 -0.0120 510 MAN D C3 12528 C C4 . MAN VA . ? 1.0221 1.1275 0.9718 -0.0306 -0.0134 -0.0125 510 MAN D C4 12529 C C5 . MAN VA . ? 0.9225 1.0314 0.8724 -0.0326 -0.0144 -0.0101 510 MAN D C5 12530 C C6 . MAN VA . ? 0.7917 0.9047 0.7391 -0.0356 -0.0142 -0.0104 510 MAN D C6 12531 O O2 . MAN VA . ? 0.9444 1.0439 0.8968 -0.0294 -0.0158 -0.0090 510 MAN D O2 12532 O O3 . MAN VA . ? 1.3647 1.4632 1.3164 -0.0259 -0.0127 -0.0143 510 MAN D O3 12533 O O4 . MAN VA . ? 1.1153 1.2215 1.0639 -0.0296 -0.0118 -0.0154 510 MAN D O4 12534 O O5 . MAN VA . ? 0.9282 1.0354 0.8794 -0.0328 -0.0160 -0.0074 510 MAN D O5 12535 O O6 . MAN VA . ? 0.7783 0.8944 0.7253 -0.0380 -0.0153 -0.0080 510 MAN D O6 12536 C C1 . MAN WA . ? 1.3794 1.4741 1.3301 -0.0257 -0.0128 -0.0150 511 MAN D C1 12537 C C2 . MAN WA . ? 1.4444 1.5361 1.3972 -0.0242 -0.0137 -0.0136 511 MAN D C2 12538 C C3 . MAN WA . ? 1.3643 1.4551 1.3194 -0.0217 -0.0133 -0.0137 511 MAN D C3 12539 C C4 . MAN WA . ? 1.4488 1.5399 1.4030 -0.0202 -0.0119 -0.0163 511 MAN D C4 12540 C C5 . MAN WA . ? 1.4770 1.5698 1.4284 -0.0215 -0.0110 -0.0184 511 MAN D C5 12541 C C6 . MAN WA . ? 1.3516 1.4422 1.3017 -0.0194 -0.0096 -0.0215 511 MAN D C6 12542 O O2 . MAN WA . ? 1.2647 1.3527 1.2162 -0.0239 -0.0135 -0.0148 511 MAN D O2 12543 O O3 . MAN WA . ? 1.1400 1.2271 1.0961 -0.0201 -0.0136 -0.0136 511 MAN D O3 12544 O O4 . MAN WA . ? 1.2423 1.3361 1.1985 -0.0195 -0.0118 -0.0154 511 MAN D O4 12545 O O5 . MAN WA . ? 1.5905 1.6831 1.5400 -0.0239 -0.0115 -0.0179 511 MAN D O5 12546 O O6 . MAN WA . ? 1.0993 1.1936 1.0483 -0.0197 -0.0086 -0.0231 511 MAN D O6 # loop_ _database_PDB_caveat.id _database_PDB_caveat.text 1 'NAG A 505 HAS WRONG CHIRALITY AT ATOM C1' 2 'MAN A 511 HAS WRONG CHIRALITY AT ATOM C1' 3 'MAN B 510 HAS WRONG CHIRALITY AT ATOM C1' 4 'MAN C 510 HAS WRONG CHIRALITY AT ATOM C1' # 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 SER 1 68 ? ? ? A . n A 1 2 LEU 2 69 ? ? ? A . n A 1 3 VAL 3 70 ? ? ? A . n A 1 4 PRO 4 71 ? ? ? A . n A 1 5 ARG 5 72 ? ? ? A . n A 1 6 GLY 6 73 ? ? ? A . n A 1 7 SER 7 74 ? ? ? A . n A 1 8 GLY 8 75 ? ? ? A . n A 1 9 ASP 9 76 ? ? ? A . n A 1 10 SER 10 77 ? ? ? A . n A 1 11 GLY 11 78 ? ? ? A . n A 1 12 SER 12 79 ? ? ? A . n A 1 13 PRO 13 80 ? ? ? A . n A 1 14 GLY 14 81 ? ? ? A . n A 1 15 ALA 15 82 82 ALA ALA A . n A 1 16 GLU 16 83 83 GLU GLU A . n A 1 17 TYR 17 84 84 TYR TYR A . n A 1 18 ARG 18 85 85 ARG ARG A . n A 1 19 ASN 19 86 86 ASN ASN A . n A 1 20 TRP 20 87 87 TRP TRP A . n A 1 21 SER 21 88 88 SER SER A . n A 1 22 LYS 22 89 89 LYS LYS A . n A 1 23 PRO 23 90 90 PRO PRO A . n A 1 24 GLN 24 91 91 GLN GLN A . n A 1 25 CYS 25 92 92 CYS CYS A . n A 1 26 GLN 26 93 93 GLN GLN A . n A 1 27 ILE 27 94 94 ILE ILE A . n A 1 28 THR 28 95 95 THR THR A . n A 1 29 GLY 29 96 96 GLY GLY A . n A 1 30 PHE 30 97 97 PHE PHE A . n A 1 31 ALA 31 98 98 ALA ALA A . n A 1 32 PRO 32 99 99 PRO PRO A . n A 1 33 PHE 33 100 100 PHE PHE A . n A 1 34 SER 34 101 101 SER SER A . n A 1 35 LYS 35 102 102 LYS LYS A . n A 1 36 ASP 36 103 103 ASP ASP A . n A 1 37 ASN 37 104 104 ASN ASN A . n A 1 38 SER 38 105 105 SER SER A . n A 1 39 ILE 39 106 106 ILE ILE A . n A 1 40 ARG 40 107 107 ARG ARG A . n A 1 41 LEU 41 108 108 LEU LEU A . n A 1 42 SER 42 109 109 SER SER A . n A 1 43 ALA 43 110 110 ALA ALA A . n A 1 44 GLY 44 111 111 GLY GLY A . n A 1 45 GLY 45 112 112 GLY GLY A . n A 1 46 ASP 46 113 113 ASP ASP A . n A 1 47 ILE 47 114 114 ILE ILE A . n A 1 48 TRP 48 115 115 TRP TRP A . n A 1 49 VAL 49 116 116 VAL VAL A . n A 1 50 THR 50 117 117 THR THR A . n A 1 51 ARG 51 118 118 ARG ARG A . n A 1 52 GLU 52 119 119 GLU GLU A . n A 1 53 PRO 53 120 120 PRO PRO A . n A 1 54 TYR 54 121 121 TYR TYR A . n A 1 55 VAL 55 122 122 VAL VAL A . n A 1 56 SER 56 123 123 SER SER A . n A 1 57 CYS 57 124 124 CYS CYS A . n A 1 58 SER 58 125 125 SER SER A . n A 1 59 PRO 59 126 126 PRO PRO A . n A 1 60 GLY 60 127 127 GLY GLY A . n A 1 61 LYS 61 128 128 LYS LYS A . n A 1 62 CYS 62 129 129 CYS CYS A . n A 1 63 TYR 63 130 130 TYR TYR A . n A 1 64 GLN 64 131 131 GLN GLN A . n A 1 65 PHE 65 132 132 PHE PHE A . n A 1 66 ALA 66 133 133 ALA ALA A . n A 1 67 LEU 67 134 134 LEU LEU A . n A 1 68 GLY 68 135 135 GLY GLY A . n A 1 69 GLN 69 136 136 GLN GLN A . n A 1 70 GLY 70 137 137 GLY GLY A . n A 1 71 THR 71 138 138 THR THR A . n A 1 72 THR 72 139 139 THR THR A . n A 1 73 LEU 73 140 140 LEU LEU A . n A 1 74 ASN 74 141 141 ASN ASN A . n A 1 75 ASN 75 142 142 ASN ASN A . n A 1 76 LYS 76 143 143 LYS LYS A . n A 1 77 HIS 77 144 144 HIS HIS A . n A 1 78 SER 78 145 145 SER SER A . n A 1 79 ASN 79 146 146 ASN ASN A . n A 1 80 GLY 80 147 147 GLY GLY A . n A 1 81 THR 81 148 148 THR THR A . n A 1 82 ILE 82 149 149 ILE ILE A . n A 1 83 HIS 83 150 150 HIS HIS A . n A 1 84 ASP 84 151 151 ASP ASP A . n A 1 85 ARG 85 152 152 ARG ARG A . n A 1 86 ILE 86 153 153 ILE ILE A . n A 1 87 PRO 87 154 154 PRO PRO A . n A 1 88 HIS 88 155 155 HIS HIS A . n A 1 89 ARG 89 156 156 ARG ARG A . n A 1 90 THR 90 157 157 THR THR A . n A 1 91 LEU 91 158 158 LEU LEU A . n A 1 92 LEU 92 159 159 LEU LEU A . n A 1 93 MET 93 160 160 MET MET A . n A 1 94 SER 94 161 161 SER SER A . n A 1 95 GLU 95 162 162 GLU GLU A . n A 1 96 LEU 96 163 163 LEU LEU A . n A 1 97 GLY 97 164 164 GLY GLY A . n A 1 98 VAL 98 165 165 VAL VAL A . n A 1 99 PRO 99 166 166 PRO PRO A . n A 1 100 PHE 100 167 167 PHE PHE A . n A 1 101 HIS 101 168 168 HIS HIS A . n A 1 102 LEU 102 169 169 LEU LEU A . n A 1 103 GLY 103 170 170 GLY GLY A . n A 1 104 THR 104 171 171 THR THR A . n A 1 105 LYS 105 172 172 LYS LYS A . n A 1 106 GLN 106 173 173 GLN GLN A . n A 1 107 VAL 107 174 174 VAL VAL A . n A 1 108 CYS 108 175 175 CYS CYS A . n A 1 109 ILE 109 176 176 ILE ILE A . n A 1 110 ALA 110 177 177 ALA ALA A . n A 1 111 TRP 111 178 178 TRP TRP A . n A 1 112 SER 112 179 179 SER SER A . n A 1 113 SER 113 180 180 SER SER A . n A 1 114 SER 114 181 181 SER SER A . n A 1 115 SER 115 182 182 SER SER A . n A 1 116 CYS 116 183 183 CYS CYS A . n A 1 117 HIS 117 184 184 HIS HIS A . n A 1 118 ASP 118 185 185 ASP ASP A . n A 1 119 GLY 119 186 186 GLY GLY A . n A 1 120 LYS 120 187 187 LYS LYS A . n A 1 121 ALA 121 188 188 ALA ALA A . n A 1 122 TRP 122 189 189 TRP TRP A . n A 1 123 LEU 123 190 190 LEU LEU A . n A 1 124 HIS 124 191 191 HIS HIS A . n A 1 125 VAL 125 192 192 VAL VAL A . n A 1 126 CYS 126 193 193 CYS CYS A . n A 1 127 VAL 127 194 194 VAL VAL A . n A 1 128 THR 128 195 195 THR THR A . n A 1 129 GLY 129 196 196 GLY GLY A . n A 1 130 ASP 130 197 197 ASP ASP A . n A 1 131 ASP 131 198 198 ASP ASP A . n A 1 132 ARG 132 199 199 ARG ARG A . n A 1 133 ASN 133 200 200 ASN ASN A . n A 1 134 ALA 134 201 201 ALA ALA A . n A 1 135 THR 135 202 202 THR THR A . n A 1 136 ALA 136 203 203 ALA ALA A . n A 1 137 SER 137 204 204 SER SER A . n A 1 138 PHE 138 205 205 PHE PHE A . n A 1 139 ILE 139 206 206 ILE ILE A . n A 1 140 TYR 140 207 207 TYR TYR A . n A 1 141 ASP 141 208 208 ASP ASP A . n A 1 142 GLY 142 209 209 GLY GLY A . n A 1 143 MET 143 210 210 MET MET A . n A 1 144 LEU 144 211 211 LEU LEU A . n A 1 145 ALA 145 212 212 ALA ALA A . n A 1 146 ASP 146 213 213 ASP ASP A . n A 1 147 SER 147 214 214 SER SER A . n A 1 148 ILE 148 215 215 ILE ILE A . n A 1 149 GLY 149 216 216 GLY GLY A . n A 1 150 SER 150 217 217 SER SER A . n A 1 151 TRP 151 218 218 TRP TRP A . n A 1 152 SER 152 219 219 SER SER A . n A 1 153 GLN 153 220 220 GLN GLN A . n A 1 154 ASN 154 221 221 ASN ASN A . n A 1 155 ILE 155 222 222 ILE ILE A . n A 1 156 LEU 156 223 223 LEU LEU A . n A 1 157 ARG 157 224 224 ARG ARG A . n A 1 158 THR 158 225 225 THR THR A . n A 1 159 GLN 159 226 226 GLN GLN A . n A 1 160 GLU 160 227 227 GLU GLU A . n A 1 161 SER 161 228 228 SER SER A . n A 1 162 GLU 162 229 229 GLU GLU A . n A 1 163 CYS 163 230 230 CYS CYS A . n A 1 164 VAL 164 231 231 VAL VAL A . n A 1 165 CYS 165 232 232 CYS CYS A . n A 1 166 ILE 166 233 233 ILE ILE A . n A 1 167 ASN 167 234 234 ASN ASN A . n A 1 168 GLY 168 235 235 GLY GLY A . n A 1 169 THR 169 236 236 THR THR A . n A 1 170 CYS 170 237 237 CYS CYS A . n A 1 171 THR 171 238 238 THR THR A . n A 1 172 VAL 172 239 239 VAL VAL A . n A 1 173 VAL 173 240 240 VAL VAL A . n A 1 174 MET 174 241 241 MET MET A . n A 1 175 THR 175 242 242 THR THR A . n A 1 176 ASP 176 243 243 ASP ASP A . n A 1 177 GLY 177 244 244 GLY GLY A . n A 1 178 SER 178 245 245 SER SER A . n A 1 179 ALA 179 246 246 ALA ALA A . n A 1 180 SER 180 247 247 SER SER A . n A 1 181 GLY 181 248 248 GLY GLY A . n A 1 182 ARG 182 249 249 ARG ARG A . n A 1 183 ALA 183 250 250 ALA ALA A . n A 1 184 ASP 184 251 251 ASP ASP A . n A 1 185 THR 185 252 252 THR THR A . n A 1 186 ARG 186 253 253 ARG ARG A . n A 1 187 ILE 187 254 254 ILE ILE A . n A 1 188 LEU 188 255 255 LEU LEU A . n A 1 189 PHE 189 256 256 PHE PHE A . n A 1 190 ILE 190 257 257 ILE ILE A . n A 1 191 LYS 191 258 258 LYS LYS A . n A 1 192 GLU 192 259 259 GLU GLU A . n A 1 193 GLY 193 260 260 GLY GLY A . n A 1 194 LYS 194 261 261 LYS LYS A . n A 1 195 ILE 195 262 262 ILE ILE A . n A 1 196 VAL 196 263 263 VAL VAL A . n A 1 197 HIS 197 264 264 HIS HIS A . n A 1 198 ILE 198 265 265 ILE ILE A . n A 1 199 SER 199 266 266 SER SER A . n A 1 200 PRO 200 267 267 PRO PRO A . n A 1 201 LEU 201 268 268 LEU LEU A . n A 1 202 SER 202 269 269 SER SER A . n A 1 203 GLY 203 270 270 GLY GLY A . n A 1 204 SER 204 271 271 SER SER A . n A 1 205 ALA 205 272 272 ALA ALA A . n A 1 206 GLN 206 273 273 GLN GLN A . n A 1 207 HIS 207 274 274 HIS HIS A . n A 1 208 ILE 208 275 275 ILE ILE A . n A 1 209 GLU 209 276 276 GLU GLU A . n A 1 210 GLU 210 277 277 GLU GLU A . n A 1 211 CYS 211 278 278 CYS CYS A . n A 1 212 SER 212 279 279 SER SER A . n A 1 213 CYS 213 280 280 CYS CYS A . n A 1 214 TYR 214 281 281 TYR TYR A . n A 1 215 PRO 215 282 282 PRO PRO A . n A 1 216 ARG 216 283 283 ARG ARG A . n A 1 217 TYR 217 284 284 TYR TYR A . n A 1 218 PRO 218 285 285 PRO PRO A . n A 1 219 ASP 219 286 286 ASP ASP A . n A 1 220 VAL 220 287 287 VAL VAL A . n A 1 221 ARG 221 288 288 ARG ARG A . n A 1 222 CYS 222 289 289 CYS CYS A . n A 1 223 VAL 223 290 290 VAL VAL A . n A 1 224 CYS 224 291 291 CYS CYS A . n A 1 225 ARG 225 292 292 ARG ARG A . n A 1 226 ASP 226 293 293 ASP ASP A . n A 1 227 ASN 227 294 294 ASN ASN A . n A 1 228 TRP 228 295 295 TRP TRP A . n A 1 229 LYS 229 296 296 LYS LYS A . n A 1 230 GLY 230 297 297 GLY GLY A . n A 1 231 SER 231 298 298 SER SER A . n A 1 232 ASN 232 299 299 ASN ASN A . n A 1 233 ARG 233 300 300 ARG ARG A . n A 1 234 PRO 234 301 301 PRO PRO A . n A 1 235 VAL 235 302 302 VAL VAL A . n A 1 236 ILE 236 303 303 ILE ILE A . n A 1 237 ASP 237 304 304 ASP ASP A . n A 1 238 ILE 238 305 305 ILE ILE A . n A 1 239 ASN 239 306 306 ASN ASN A . n A 1 240 MET 240 307 307 MET MET A . n A 1 241 ALA 241 308 308 ALA ALA A . n A 1 242 ASP 242 309 309 ASP ASP A . n A 1 243 TYR 243 310 310 TYR TYR A . n A 1 244 SER 244 311 311 SER SER A . n A 1 245 ILE 245 312 312 ILE ILE A . n A 1 246 ASP 246 313 313 ASP ASP A . n A 1 247 SER 247 314 314 SER SER A . n A 1 248 SER 248 315 315 SER SER A . n A 1 249 TYR 249 316 316 TYR TYR A . n A 1 250 VAL 250 317 317 VAL VAL A . n A 1 251 CYS 251 318 318 CYS CYS A . n A 1 252 SER 252 319 319 SER SER A . n A 1 253 GLY 253 320 320 GLY GLY A . n A 1 254 LEU 254 321 321 LEU LEU A . n A 1 255 VAL 255 322 322 VAL VAL A . n A 1 256 GLY 256 323 323 GLY GLY A . n A 1 257 ASP 257 324 324 ASP ASP A . n A 1 258 THR 258 325 325 THR THR A . n A 1 259 PRO 259 326 326 PRO PRO A . n A 1 260 ARG 260 327 327 ARG ARG A . n A 1 261 ASN 261 328 328 ASN ASN A . n A 1 262 ASP 262 329 329 ASP ASP A . n A 1 263 ASP 263 330 330 ASP ASP A . n A 1 264 SER 264 331 331 SER SER A . n A 1 265 SER 265 332 332 SER SER A . n A 1 266 SER 266 333 333 SER SER A . n A 1 267 SER 267 334 334 SER SER A . n A 1 268 SER 268 335 335 SER SER A . n A 1 269 ASN 269 336 336 ASN ASN A . n A 1 270 CYS 270 337 337 CYS CYS A . n A 1 271 ARG 271 338 338 ARG ARG A . n A 1 272 ASP 272 339 339 ASP ASP A . n A 1 273 PRO 273 340 340 PRO PRO A . n A 1 274 ASN 274 341 341 ASN ASN A . n A 1 275 ASN 275 342 342 ASN ASN A . n A 1 276 GLU 276 343 343 GLU GLU A . n A 1 277 ARG 277 344 344 ARG ARG A . n A 1 278 GLY 278 345 345 GLY GLY A . n A 1 279 ASN 279 346 346 ASN ASN A . n A 1 280 PRO 280 347 347 PRO PRO A . n A 1 281 GLY 281 348 348 GLY GLY A . n A 1 282 VAL 282 349 349 VAL VAL A . n A 1 283 LYS 283 350 350 LYS LYS A . n A 1 284 GLY 284 351 351 GLY GLY A . n A 1 285 TRP 285 352 352 TRP TRP A . n A 1 286 ALA 286 353 353 ALA ALA A . n A 1 287 PHE 287 354 354 PHE PHE A . n A 1 288 ASP 288 355 355 ASP ASP A . n A 1 289 ASN 289 356 356 ASN ASN A . n A 1 290 GLY 290 357 357 GLY GLY A . n A 1 291 ASN 291 358 358 ASN ASN A . n A 1 292 ASP 292 359 359 ASP ASP A . n A 1 293 VAL 293 360 360 VAL VAL A . n A 1 294 TRP 294 361 361 TRP TRP A . n A 1 295 MET 295 362 362 MET MET A . n A 1 296 GLY 296 363 363 GLY GLY A . n A 1 297 ARG 297 364 364 ARG ARG A . n A 1 298 THR 298 365 365 THR THR A . n A 1 299 ILE 299 366 366 ILE ILE A . n A 1 300 SER 300 367 367 SER SER A . n A 1 301 GLU 301 368 368 GLU GLU A . n A 1 302 ASP 302 369 369 ASP ASP A . n A 1 303 SER 303 370 370 SER SER A . n A 1 304 ARG 304 371 371 ARG ARG A . n A 1 305 SER 305 372 372 SER SER A . n A 1 306 GLY 306 373 373 GLY GLY A . n A 1 307 TYR 307 374 374 TYR TYR A . n A 1 308 GLU 308 375 375 GLU GLU A . n A 1 309 THR 309 376 376 THR THR A . n A 1 310 PHE 310 377 377 PHE PHE A . n A 1 311 ARG 311 378 378 ARG ARG A . n A 1 312 VAL 312 379 379 VAL VAL A . n A 1 313 THR 313 380 380 THR THR A . n A 1 314 ASP 314 381 381 ASP ASP A . n A 1 315 GLY 315 382 382 GLY GLY A . n A 1 316 TRP 316 383 383 TRP TRP A . n A 1 317 THR 317 384 384 THR THR A . n A 1 318 THR 318 385 385 THR THR A . n A 1 319 ALA 319 386 386 ALA ALA A . n A 1 320 ASN 320 387 387 ASN ASN A . n A 1 321 SER 321 388 388 SER SER A . n A 1 322 LYS 322 389 389 LYS LYS A . n A 1 323 SER 323 390 390 SER SER A . n A 1 324 GLN 324 391 391 GLN GLN A . n A 1 325 VAL 325 392 392 VAL VAL A . n A 1 326 ASN 326 393 393 ASN ASN A . n A 1 327 ARG 327 394 394 ARG ARG A . n A 1 328 GLN 328 395 395 GLN GLN A . n A 1 329 ILE 329 396 396 ILE ILE A . n A 1 330 ILE 330 397 397 ILE ILE A . n A 1 331 VAL 331 398 398 VAL VAL A . n A 1 332 ASP 332 399 399 ASP ASP A . n A 1 333 ASN 333 400 400 ASN ASN A . n A 1 334 ASN 334 401 401 ASN ASN A . n A 1 335 ASN 335 402 402 ASN ASN A . n A 1 336 TRP 336 403 403 TRP TRP A . n A 1 337 SER 337 404 404 SER SER A . n A 1 338 GLY 338 405 405 GLY GLY A . n A 1 339 TYR 339 406 406 TYR TYR A . n A 1 340 SER 340 407 407 SER SER A . n A 1 341 GLY 341 408 408 GLY GLY A . n A 1 342 ILE 342 409 409 ILE ILE A . n A 1 343 PHE 343 410 410 PHE PHE A . n A 1 344 SER 344 411 411 SER SER A . n A 1 345 VAL 345 412 412 VAL VAL A . n A 1 346 GLU 346 413 413 GLU GLU A . n A 1 347 GLY 347 414 414 GLY GLY A . n A 1 348 LYS 348 415 415 LYS LYS A . n A 1 349 SER 349 416 416 SER SER A . n A 1 350 CYS 350 417 417 CYS CYS A . n A 1 351 ILE 351 418 418 ILE ILE A . n A 1 352 ASN 352 419 419 ASN ASN A . n A 1 353 ARG 353 420 420 ARG ARG A . n A 1 354 CYS 354 421 421 CYS CYS A . n A 1 355 PHE 355 422 422 PHE PHE A . n A 1 356 TYR 356 423 423 TYR TYR A . n A 1 357 VAL 357 424 424 VAL VAL A . n A 1 358 GLU 358 425 425 GLU GLU A . n A 1 359 LEU 359 426 426 LEU LEU A . n A 1 360 ILE 360 427 427 ILE ILE A . n A 1 361 ARG 361 428 428 ARG ARG A . n A 1 362 GLY 362 429 429 GLY GLY A . n A 1 363 ARG 363 430 430 ARG ARG A . n A 1 364 PRO 364 431 431 PRO PRO A . n A 1 365 GLN 365 432 432 GLN GLN A . n A 1 366 GLU 366 433 433 GLU GLU A . n A 1 367 THR 367 434 434 THR THR A . n A 1 368 ARG 368 435 435 ARG ARG A . n A 1 369 VAL 369 436 436 VAL VAL A . n A 1 370 TRP 370 437 437 TRP TRP A . n A 1 371 TRP 371 438 438 TRP TRP A . n A 1 372 THR 372 439 439 THR THR A . n A 1 373 SER 373 440 440 SER SER A . n A 1 374 ASN 374 441 441 ASN ASN A . n A 1 375 SER 375 442 442 SER SER A . n A 1 376 ILE 376 443 443 ILE ILE A . n A 1 377 VAL 377 444 444 VAL VAL A . n A 1 378 VAL 378 445 445 VAL VAL A . n A 1 379 PHE 379 446 446 PHE PHE A . n A 1 380 CYS 380 447 447 CYS CYS A . n A 1 381 GLY 381 448 448 GLY GLY A . n A 1 382 THR 382 449 449 THR THR A . n A 1 383 SER 383 450 450 SER SER A . n A 1 384 GLY 384 451 451 GLY GLY A . n A 1 385 THR 385 452 452 THR THR A . n A 1 386 TYR 386 453 453 TYR TYR A . n A 1 387 GLY 387 454 454 GLY GLY A . n A 1 388 THR 388 455 455 THR THR A . n A 1 389 GLY 389 456 456 GLY GLY A . n A 1 390 SER 390 457 457 SER SER A . n A 1 391 TRP 391 458 458 TRP TRP A . n A 1 392 PRO 392 459 459 PRO PRO A . n A 1 393 ASP 393 460 460 ASP ASP A . n A 1 394 GLY 394 461 461 GLY GLY A . n A 1 395 ALA 395 462 462 ALA ALA A . n A 1 396 ASN 396 463 463 ASN ASN A . n A 1 397 ILE 397 464 464 ILE ILE A . n A 1 398 ASN 398 465 465 ASN ASN A . n A 1 399 PHE 399 466 466 PHE PHE A . n A 1 400 MET 400 467 467 MET MET A . n A 1 401 PRO 401 468 468 PRO PRO A . n A 1 402 ILE 402 469 469 ILE ILE A . n B 1 1 SER 1 68 ? ? ? B . n B 1 2 LEU 2 69 ? ? ? B . n B 1 3 VAL 3 70 ? ? ? B . n B 1 4 PRO 4 71 ? ? ? B . n B 1 5 ARG 5 72 ? ? ? B . n B 1 6 GLY 6 73 ? ? ? B . n B 1 7 SER 7 74 ? ? ? B . n B 1 8 GLY 8 75 ? ? ? B . n B 1 9 ASP 9 76 ? ? ? B . n B 1 10 SER 10 77 ? ? ? B . n B 1 11 GLY 11 78 ? ? ? B . n B 1 12 SER 12 79 ? ? ? B . n B 1 13 PRO 13 80 ? ? ? B . n B 1 14 GLY 14 81 ? ? ? B . n B 1 15 ALA 15 82 82 ALA ALA B . n B 1 16 GLU 16 83 83 GLU GLU B . n B 1 17 TYR 17 84 84 TYR TYR B . n B 1 18 ARG 18 85 85 ARG ARG B . n B 1 19 ASN 19 86 86 ASN ASN B . n B 1 20 TRP 20 87 87 TRP TRP B . n B 1 21 SER 21 88 88 SER SER B . n B 1 22 LYS 22 89 89 LYS LYS B . n B 1 23 PRO 23 90 90 PRO PRO B . n B 1 24 GLN 24 91 91 GLN GLN B . n B 1 25 CYS 25 92 92 CYS CYS B . n B 1 26 GLN 26 93 93 GLN GLN B . n B 1 27 ILE 27 94 94 ILE ILE B . n B 1 28 THR 28 95 95 THR THR B . n B 1 29 GLY 29 96 96 GLY GLY B . n B 1 30 PHE 30 97 97 PHE PHE B . n B 1 31 ALA 31 98 98 ALA ALA B . n B 1 32 PRO 32 99 99 PRO PRO B . n B 1 33 PHE 33 100 100 PHE PHE B . n B 1 34 SER 34 101 101 SER SER B . n B 1 35 LYS 35 102 102 LYS LYS B . n B 1 36 ASP 36 103 103 ASP ASP B . n B 1 37 ASN 37 104 104 ASN ASN B . n B 1 38 SER 38 105 105 SER SER B . n B 1 39 ILE 39 106 106 ILE ILE B . n B 1 40 ARG 40 107 107 ARG ARG B . n B 1 41 LEU 41 108 108 LEU LEU B . n B 1 42 SER 42 109 109 SER SER B . n B 1 43 ALA 43 110 110 ALA ALA B . n B 1 44 GLY 44 111 111 GLY GLY B . n B 1 45 GLY 45 112 112 GLY GLY B . n B 1 46 ASP 46 113 113 ASP ASP B . n B 1 47 ILE 47 114 114 ILE ILE B . n B 1 48 TRP 48 115 115 TRP TRP B . n B 1 49 VAL 49 116 116 VAL VAL B . n B 1 50 THR 50 117 117 THR THR B . n B 1 51 ARG 51 118 118 ARG ARG B . n B 1 52 GLU 52 119 119 GLU GLU B . n B 1 53 PRO 53 120 120 PRO PRO B . n B 1 54 TYR 54 121 121 TYR TYR B . n B 1 55 VAL 55 122 122 VAL VAL B . n B 1 56 SER 56 123 123 SER SER B . n B 1 57 CYS 57 124 124 CYS CYS B . n B 1 58 SER 58 125 125 SER SER B . n B 1 59 PRO 59 126 126 PRO PRO B . n B 1 60 GLY 60 127 127 GLY GLY B . n B 1 61 LYS 61 128 128 LYS LYS B . n B 1 62 CYS 62 129 129 CYS CYS B . n B 1 63 TYR 63 130 130 TYR TYR B . n B 1 64 GLN 64 131 131 GLN GLN B . n B 1 65 PHE 65 132 132 PHE PHE B . n B 1 66 ALA 66 133 133 ALA ALA B . n B 1 67 LEU 67 134 134 LEU LEU B . n B 1 68 GLY 68 135 135 GLY GLY B . n B 1 69 GLN 69 136 136 GLN GLN B . n B 1 70 GLY 70 137 137 GLY GLY B . n B 1 71 THR 71 138 138 THR THR B . n B 1 72 THR 72 139 139 THR THR B . n B 1 73 LEU 73 140 140 LEU LEU B . n B 1 74 ASN 74 141 141 ASN ASN B . n B 1 75 ASN 75 142 142 ASN ASN B . n B 1 76 LYS 76 143 143 LYS LYS B . n B 1 77 HIS 77 144 144 HIS HIS B . n B 1 78 SER 78 145 145 SER SER B . n B 1 79 ASN 79 146 146 ASN ASN B . n B 1 80 GLY 80 147 147 GLY GLY B . n B 1 81 THR 81 148 148 THR THR B . n B 1 82 ILE 82 149 149 ILE ILE B . n B 1 83 HIS 83 150 150 HIS HIS B . n B 1 84 ASP 84 151 151 ASP ASP B . n B 1 85 ARG 85 152 152 ARG ARG B . n B 1 86 ILE 86 153 153 ILE ILE B . n B 1 87 PRO 87 154 154 PRO PRO B . n B 1 88 HIS 88 155 155 HIS HIS B . n B 1 89 ARG 89 156 156 ARG ARG B . n B 1 90 THR 90 157 157 THR THR B . n B 1 91 LEU 91 158 158 LEU LEU B . n B 1 92 LEU 92 159 159 LEU LEU B . n B 1 93 MET 93 160 160 MET MET B . n B 1 94 SER 94 161 161 SER SER B . n B 1 95 GLU 95 162 162 GLU GLU B . n B 1 96 LEU 96 163 163 LEU LEU B . n B 1 97 GLY 97 164 164 GLY GLY B . n B 1 98 VAL 98 165 165 VAL VAL B . n B 1 99 PRO 99 166 166 PRO PRO B . n B 1 100 PHE 100 167 167 PHE PHE B . n B 1 101 HIS 101 168 168 HIS HIS B . n B 1 102 LEU 102 169 169 LEU LEU B . n B 1 103 GLY 103 170 170 GLY GLY B . n B 1 104 THR 104 171 171 THR THR B . n B 1 105 LYS 105 172 172 LYS LYS B . n B 1 106 GLN 106 173 173 GLN GLN B . n B 1 107 VAL 107 174 174 VAL VAL B . n B 1 108 CYS 108 175 175 CYS CYS B . n B 1 109 ILE 109 176 176 ILE ILE B . n B 1 110 ALA 110 177 177 ALA ALA B . n B 1 111 TRP 111 178 178 TRP TRP B . n B 1 112 SER 112 179 179 SER SER B . n B 1 113 SER 113 180 180 SER SER B . n B 1 114 SER 114 181 181 SER SER B . n B 1 115 SER 115 182 182 SER SER B . n B 1 116 CYS 116 183 183 CYS CYS B . n B 1 117 HIS 117 184 184 HIS HIS B . n B 1 118 ASP 118 185 185 ASP ASP B . n B 1 119 GLY 119 186 186 GLY GLY B . n B 1 120 LYS 120 187 187 LYS LYS B . n B 1 121 ALA 121 188 188 ALA ALA B . n B 1 122 TRP 122 189 189 TRP TRP B . n B 1 123 LEU 123 190 190 LEU LEU B . n B 1 124 HIS 124 191 191 HIS HIS B . n B 1 125 VAL 125 192 192 VAL VAL B . n B 1 126 CYS 126 193 193 CYS CYS B . n B 1 127 VAL 127 194 194 VAL VAL B . n B 1 128 THR 128 195 195 THR THR B . n B 1 129 GLY 129 196 196 GLY GLY B . n B 1 130 ASP 130 197 197 ASP ASP B . n B 1 131 ASP 131 198 198 ASP ASP B . n B 1 132 ARG 132 199 199 ARG ARG B . n B 1 133 ASN 133 200 200 ASN ASN B . n B 1 134 ALA 134 201 201 ALA ALA B . n B 1 135 THR 135 202 202 THR THR B . n B 1 136 ALA 136 203 203 ALA ALA B . n B 1 137 SER 137 204 204 SER SER B . n B 1 138 PHE 138 205 205 PHE PHE B . n B 1 139 ILE 139 206 206 ILE ILE B . n B 1 140 TYR 140 207 207 TYR TYR B . n B 1 141 ASP 141 208 208 ASP ASP B . n B 1 142 GLY 142 209 209 GLY GLY B . n B 1 143 MET 143 210 210 MET MET B . n B 1 144 LEU 144 211 211 LEU LEU B . n B 1 145 ALA 145 212 212 ALA ALA B . n B 1 146 ASP 146 213 213 ASP ASP B . n B 1 147 SER 147 214 214 SER SER B . n B 1 148 ILE 148 215 215 ILE ILE B . n B 1 149 GLY 149 216 216 GLY GLY B . n B 1 150 SER 150 217 217 SER SER B . n B 1 151 TRP 151 218 218 TRP TRP B . n B 1 152 SER 152 219 219 SER SER B . n B 1 153 GLN 153 220 220 GLN GLN B . n B 1 154 ASN 154 221 221 ASN ASN B . n B 1 155 ILE 155 222 222 ILE ILE B . n B 1 156 LEU 156 223 223 LEU LEU B . n B 1 157 ARG 157 224 224 ARG ARG B . n B 1 158 THR 158 225 225 THR THR B . n B 1 159 GLN 159 226 226 GLN GLN B . n B 1 160 GLU 160 227 227 GLU GLU B . n B 1 161 SER 161 228 228 SER SER B . n B 1 162 GLU 162 229 229 GLU GLU B . n B 1 163 CYS 163 230 230 CYS CYS B . n B 1 164 VAL 164 231 231 VAL VAL B . n B 1 165 CYS 165 232 232 CYS CYS B . n B 1 166 ILE 166 233 233 ILE ILE B . n B 1 167 ASN 167 234 234 ASN ASN B . n B 1 168 GLY 168 235 235 GLY GLY B . n B 1 169 THR 169 236 236 THR THR B . n B 1 170 CYS 170 237 237 CYS CYS B . n B 1 171 THR 171 238 238 THR THR B . n B 1 172 VAL 172 239 239 VAL VAL B . n B 1 173 VAL 173 240 240 VAL VAL B . n B 1 174 MET 174 241 241 MET MET B . n B 1 175 THR 175 242 242 THR THR B . n B 1 176 ASP 176 243 243 ASP ASP B . n B 1 177 GLY 177 244 244 GLY GLY B . n B 1 178 SER 178 245 245 SER SER B . n B 1 179 ALA 179 246 246 ALA ALA B . n B 1 180 SER 180 247 247 SER SER B . n B 1 181 GLY 181 248 248 GLY GLY B . n B 1 182 ARG 182 249 249 ARG ARG B . n B 1 183 ALA 183 250 250 ALA ALA B . n B 1 184 ASP 184 251 251 ASP ASP B . n B 1 185 THR 185 252 252 THR THR B . n B 1 186 ARG 186 253 253 ARG ARG B . n B 1 187 ILE 187 254 254 ILE ILE B . n B 1 188 LEU 188 255 255 LEU LEU B . n B 1 189 PHE 189 256 256 PHE PHE B . n B 1 190 ILE 190 257 257 ILE ILE B . n B 1 191 LYS 191 258 258 LYS LYS B . n B 1 192 GLU 192 259 259 GLU GLU B . n B 1 193 GLY 193 260 260 GLY GLY B . n B 1 194 LYS 194 261 261 LYS LYS B . n B 1 195 ILE 195 262 262 ILE ILE B . n B 1 196 VAL 196 263 263 VAL VAL B . n B 1 197 HIS 197 264 264 HIS HIS B . n B 1 198 ILE 198 265 265 ILE ILE B . n B 1 199 SER 199 266 266 SER SER B . n B 1 200 PRO 200 267 267 PRO PRO B . n B 1 201 LEU 201 268 268 LEU LEU B . n B 1 202 SER 202 269 269 SER SER B . n B 1 203 GLY 203 270 270 GLY GLY B . n B 1 204 SER 204 271 271 SER SER B . n B 1 205 ALA 205 272 272 ALA ALA B . n B 1 206 GLN 206 273 273 GLN GLN B . n B 1 207 HIS 207 274 274 HIS HIS B . n B 1 208 ILE 208 275 275 ILE ILE B . n B 1 209 GLU 209 276 276 GLU GLU B . n B 1 210 GLU 210 277 277 GLU GLU B . n B 1 211 CYS 211 278 278 CYS CYS B . n B 1 212 SER 212 279 279 SER SER B . n B 1 213 CYS 213 280 280 CYS CYS B . n B 1 214 TYR 214 281 281 TYR TYR B . n B 1 215 PRO 215 282 282 PRO PRO B . n B 1 216 ARG 216 283 283 ARG ARG B . n B 1 217 TYR 217 284 284 TYR TYR B . n B 1 218 PRO 218 285 285 PRO PRO B . n B 1 219 ASP 219 286 286 ASP ASP B . n B 1 220 VAL 220 287 287 VAL VAL B . n B 1 221 ARG 221 288 288 ARG ARG B . n B 1 222 CYS 222 289 289 CYS CYS B . n B 1 223 VAL 223 290 290 VAL VAL B . n B 1 224 CYS 224 291 291 CYS CYS B . n B 1 225 ARG 225 292 292 ARG ARG B . n B 1 226 ASP 226 293 293 ASP ASP B . n B 1 227 ASN 227 294 294 ASN ASN B . n B 1 228 TRP 228 295 295 TRP TRP B . n B 1 229 LYS 229 296 296 LYS LYS B . n B 1 230 GLY 230 297 297 GLY GLY B . n B 1 231 SER 231 298 298 SER SER B . n B 1 232 ASN 232 299 299 ASN ASN B . n B 1 233 ARG 233 300 300 ARG ARG B . n B 1 234 PRO 234 301 301 PRO PRO B . n B 1 235 VAL 235 302 302 VAL VAL B . n B 1 236 ILE 236 303 303 ILE ILE B . n B 1 237 ASP 237 304 304 ASP ASP B . n B 1 238 ILE 238 305 305 ILE ILE B . n B 1 239 ASN 239 306 306 ASN ASN B . n B 1 240 MET 240 307 307 MET MET B . n B 1 241 ALA 241 308 308 ALA ALA B . n B 1 242 ASP 242 309 309 ASP ASP B . n B 1 243 TYR 243 310 310 TYR TYR B . n B 1 244 SER 244 311 311 SER SER B . n B 1 245 ILE 245 312 312 ILE ILE B . n B 1 246 ASP 246 313 313 ASP ASP B . n B 1 247 SER 247 314 314 SER SER B . n B 1 248 SER 248 315 315 SER SER B . n B 1 249 TYR 249 316 316 TYR TYR B . n B 1 250 VAL 250 317 317 VAL VAL B . n B 1 251 CYS 251 318 318 CYS CYS B . n B 1 252 SER 252 319 319 SER SER B . n B 1 253 GLY 253 320 320 GLY GLY B . n B 1 254 LEU 254 321 321 LEU LEU B . n B 1 255 VAL 255 322 322 VAL VAL B . n B 1 256 GLY 256 323 323 GLY GLY B . n B 1 257 ASP 257 324 324 ASP ASP B . n B 1 258 THR 258 325 325 THR THR B . n B 1 259 PRO 259 326 326 PRO PRO B . n B 1 260 ARG 260 327 327 ARG ARG B . n B 1 261 ASN 261 328 328 ASN ASN B . n B 1 262 ASP 262 329 329 ASP ASP B . n B 1 263 ASP 263 330 330 ASP ASP B . n B 1 264 SER 264 331 331 SER SER B . n B 1 265 SER 265 332 332 SER SER B . n B 1 266 SER 266 333 333 SER SER B . n B 1 267 SER 267 334 334 SER SER B . n B 1 268 SER 268 335 335 SER SER B . n B 1 269 ASN 269 336 336 ASN ASN B . n B 1 270 CYS 270 337 337 CYS CYS B . n B 1 271 ARG 271 338 338 ARG ARG B . n B 1 272 ASP 272 339 339 ASP ASP B . n B 1 273 PRO 273 340 340 PRO PRO B . n B 1 274 ASN 274 341 341 ASN ASN B . n B 1 275 ASN 275 342 342 ASN ASN B . n B 1 276 GLU 276 343 343 GLU GLU B . n B 1 277 ARG 277 344 344 ARG ARG B . n B 1 278 GLY 278 345 345 GLY GLY B . n B 1 279 ASN 279 346 346 ASN ASN B . n B 1 280 PRO 280 347 347 PRO PRO B . n B 1 281 GLY 281 348 348 GLY GLY B . n B 1 282 VAL 282 349 349 VAL VAL B . n B 1 283 LYS 283 350 350 LYS LYS B . n B 1 284 GLY 284 351 351 GLY GLY B . n B 1 285 TRP 285 352 352 TRP TRP B . n B 1 286 ALA 286 353 353 ALA ALA B . n B 1 287 PHE 287 354 354 PHE PHE B . n B 1 288 ASP 288 355 355 ASP ASP B . n B 1 289 ASN 289 356 356 ASN ASN B . n B 1 290 GLY 290 357 357 GLY GLY B . n B 1 291 ASN 291 358 358 ASN ASN B . n B 1 292 ASP 292 359 359 ASP ASP B . n B 1 293 VAL 293 360 360 VAL VAL B . n B 1 294 TRP 294 361 361 TRP TRP B . n B 1 295 MET 295 362 362 MET MET B . n B 1 296 GLY 296 363 363 GLY GLY B . n B 1 297 ARG 297 364 364 ARG ARG B . n B 1 298 THR 298 365 365 THR THR B . n B 1 299 ILE 299 366 366 ILE ILE B . n B 1 300 SER 300 367 367 SER SER B . n B 1 301 GLU 301 368 368 GLU GLU B . n B 1 302 ASP 302 369 369 ASP ASP B . n B 1 303 SER 303 370 370 SER SER B . n B 1 304 ARG 304 371 371 ARG ARG B . n B 1 305 SER 305 372 372 SER SER B . n B 1 306 GLY 306 373 373 GLY GLY B . n B 1 307 TYR 307 374 374 TYR TYR B . n B 1 308 GLU 308 375 375 GLU GLU B . n B 1 309 THR 309 376 376 THR THR B . n B 1 310 PHE 310 377 377 PHE PHE B . n B 1 311 ARG 311 378 378 ARG ARG B . n B 1 312 VAL 312 379 379 VAL VAL B . n B 1 313 THR 313 380 380 THR THR B . n B 1 314 ASP 314 381 381 ASP ASP B . n B 1 315 GLY 315 382 382 GLY GLY B . n B 1 316 TRP 316 383 383 TRP TRP B . n B 1 317 THR 317 384 384 THR THR B . n B 1 318 THR 318 385 385 THR THR B . n B 1 319 ALA 319 386 386 ALA ALA B . n B 1 320 ASN 320 387 387 ASN ASN B . n B 1 321 SER 321 388 388 SER SER B . n B 1 322 LYS 322 389 389 LYS LYS B . n B 1 323 SER 323 390 390 SER SER B . n B 1 324 GLN 324 391 391 GLN GLN B . n B 1 325 VAL 325 392 392 VAL VAL B . n B 1 326 ASN 326 393 393 ASN ASN B . n B 1 327 ARG 327 394 394 ARG ARG B . n B 1 328 GLN 328 395 395 GLN GLN B . n B 1 329 ILE 329 396 396 ILE ILE B . n B 1 330 ILE 330 397 397 ILE ILE B . n B 1 331 VAL 331 398 398 VAL VAL B . n B 1 332 ASP 332 399 399 ASP ASP B . n B 1 333 ASN 333 400 400 ASN ASN B . n B 1 334 ASN 334 401 401 ASN ASN B . n B 1 335 ASN 335 402 402 ASN ASN B . n B 1 336 TRP 336 403 403 TRP TRP B . n B 1 337 SER 337 404 404 SER SER B . n B 1 338 GLY 338 405 405 GLY GLY B . n B 1 339 TYR 339 406 406 TYR TYR B . n B 1 340 SER 340 407 407 SER SER B . n B 1 341 GLY 341 408 408 GLY GLY B . n B 1 342 ILE 342 409 409 ILE ILE B . n B 1 343 PHE 343 410 410 PHE PHE B . n B 1 344 SER 344 411 411 SER SER B . n B 1 345 VAL 345 412 412 VAL VAL B . n B 1 346 GLU 346 413 413 GLU GLU B . n B 1 347 GLY 347 414 414 GLY GLY B . n B 1 348 LYS 348 415 415 LYS LYS B . n B 1 349 SER 349 416 416 SER SER B . n B 1 350 CYS 350 417 417 CYS CYS B . n B 1 351 ILE 351 418 418 ILE ILE B . n B 1 352 ASN 352 419 419 ASN ASN B . n B 1 353 ARG 353 420 420 ARG ARG B . n B 1 354 CYS 354 421 421 CYS CYS B . n B 1 355 PHE 355 422 422 PHE PHE B . n B 1 356 TYR 356 423 423 TYR TYR B . n B 1 357 VAL 357 424 424 VAL VAL B . n B 1 358 GLU 358 425 425 GLU GLU B . n B 1 359 LEU 359 426 426 LEU LEU B . n B 1 360 ILE 360 427 427 ILE ILE B . n B 1 361 ARG 361 428 428 ARG ARG B . n B 1 362 GLY 362 429 429 GLY GLY B . n B 1 363 ARG 363 430 430 ARG ARG B . n B 1 364 PRO 364 431 431 PRO PRO B . n B 1 365 GLN 365 432 432 GLN GLN B . n B 1 366 GLU 366 433 433 GLU GLU B . n B 1 367 THR 367 434 434 THR THR B . n B 1 368 ARG 368 435 435 ARG ARG B . n B 1 369 VAL 369 436 436 VAL VAL B . n B 1 370 TRP 370 437 437 TRP TRP B . n B 1 371 TRP 371 438 438 TRP TRP B . n B 1 372 THR 372 439 439 THR THR B . n B 1 373 SER 373 440 440 SER SER B . n B 1 374 ASN 374 441 441 ASN ASN B . n B 1 375 SER 375 442 442 SER SER B . n B 1 376 ILE 376 443 443 ILE ILE B . n B 1 377 VAL 377 444 444 VAL VAL B . n B 1 378 VAL 378 445 445 VAL VAL B . n B 1 379 PHE 379 446 446 PHE PHE B . n B 1 380 CYS 380 447 447 CYS CYS B . n B 1 381 GLY 381 448 448 GLY GLY B . n B 1 382 THR 382 449 449 THR THR B . n B 1 383 SER 383 450 450 SER SER B . n B 1 384 GLY 384 451 451 GLY GLY B . n B 1 385 THR 385 452 452 THR THR B . n B 1 386 TYR 386 453 453 TYR TYR B . n B 1 387 GLY 387 454 454 GLY GLY B . n B 1 388 THR 388 455 455 THR THR B . n B 1 389 GLY 389 456 456 GLY GLY B . n B 1 390 SER 390 457 457 SER SER B . n B 1 391 TRP 391 458 458 TRP TRP B . n B 1 392 PRO 392 459 459 PRO PRO B . n B 1 393 ASP 393 460 460 ASP ASP B . n B 1 394 GLY 394 461 461 GLY GLY B . n B 1 395 ALA 395 462 462 ALA ALA B . n B 1 396 ASN 396 463 463 ASN ASN B . n B 1 397 ILE 397 464 464 ILE ILE B . n B 1 398 ASN 398 465 465 ASN ASN B . n B 1 399 PHE 399 466 466 PHE PHE B . n B 1 400 MET 400 467 467 MET MET B . n B 1 401 PRO 401 468 468 PRO PRO B . n B 1 402 ILE 402 469 469 ILE ILE B . n C 1 1 SER 1 68 ? ? ? C . n C 1 2 LEU 2 69 ? ? ? C . n C 1 3 VAL 3 70 ? ? ? C . n C 1 4 PRO 4 71 ? ? ? C . n C 1 5 ARG 5 72 ? ? ? C . n C 1 6 GLY 6 73 ? ? ? C . n C 1 7 SER 7 74 ? ? ? C . n C 1 8 GLY 8 75 ? ? ? C . n C 1 9 ASP 9 76 ? ? ? C . n C 1 10 SER 10 77 ? ? ? C . n C 1 11 GLY 11 78 ? ? ? C . n C 1 12 SER 12 79 ? ? ? C . n C 1 13 PRO 13 80 ? ? ? C . n C 1 14 GLY 14 81 ? ? ? C . n C 1 15 ALA 15 82 82 ALA ALA C . n C 1 16 GLU 16 83 83 GLU GLU C . n C 1 17 TYR 17 84 84 TYR TYR C . n C 1 18 ARG 18 85 85 ARG ARG C . n C 1 19 ASN 19 86 86 ASN ASN C . n C 1 20 TRP 20 87 87 TRP TRP C . n C 1 21 SER 21 88 88 SER SER C . n C 1 22 LYS 22 89 89 LYS LYS C . n C 1 23 PRO 23 90 90 PRO PRO C . n C 1 24 GLN 24 91 91 GLN GLN C . n C 1 25 CYS 25 92 92 CYS CYS C . n C 1 26 GLN 26 93 93 GLN GLN C . n C 1 27 ILE 27 94 94 ILE ILE C . n C 1 28 THR 28 95 95 THR THR C . n C 1 29 GLY 29 96 96 GLY GLY C . n C 1 30 PHE 30 97 97 PHE PHE C . n C 1 31 ALA 31 98 98 ALA ALA C . n C 1 32 PRO 32 99 99 PRO PRO C . n C 1 33 PHE 33 100 100 PHE PHE C . n C 1 34 SER 34 101 101 SER SER C . n C 1 35 LYS 35 102 102 LYS LYS C . n C 1 36 ASP 36 103 103 ASP ASP C . n C 1 37 ASN 37 104 104 ASN ASN C . n C 1 38 SER 38 105 105 SER SER C . n C 1 39 ILE 39 106 106 ILE ILE C . n C 1 40 ARG 40 107 107 ARG ARG C . n C 1 41 LEU 41 108 108 LEU LEU C . n C 1 42 SER 42 109 109 SER SER C . n C 1 43 ALA 43 110 110 ALA ALA C . n C 1 44 GLY 44 111 111 GLY GLY C . n C 1 45 GLY 45 112 112 GLY GLY C . n C 1 46 ASP 46 113 113 ASP ASP C . n C 1 47 ILE 47 114 114 ILE ILE C . n C 1 48 TRP 48 115 115 TRP TRP C . n C 1 49 VAL 49 116 116 VAL VAL C . n C 1 50 THR 50 117 117 THR THR C . n C 1 51 ARG 51 118 118 ARG ARG C . n C 1 52 GLU 52 119 119 GLU GLU C . n C 1 53 PRO 53 120 120 PRO PRO C . n C 1 54 TYR 54 121 121 TYR TYR C . n C 1 55 VAL 55 122 122 VAL VAL C . n C 1 56 SER 56 123 123 SER SER C . n C 1 57 CYS 57 124 124 CYS CYS C . n C 1 58 SER 58 125 125 SER SER C . n C 1 59 PRO 59 126 126 PRO PRO C . n C 1 60 GLY 60 127 127 GLY GLY C . n C 1 61 LYS 61 128 128 LYS LYS C . n C 1 62 CYS 62 129 129 CYS CYS C . n C 1 63 TYR 63 130 130 TYR TYR C . n C 1 64 GLN 64 131 131 GLN GLN C . n C 1 65 PHE 65 132 132 PHE PHE C . n C 1 66 ALA 66 133 133 ALA ALA C . n C 1 67 LEU 67 134 134 LEU LEU C . n C 1 68 GLY 68 135 135 GLY GLY C . n C 1 69 GLN 69 136 136 GLN GLN C . n C 1 70 GLY 70 137 137 GLY GLY C . n C 1 71 THR 71 138 138 THR THR C . n C 1 72 THR 72 139 139 THR THR C . n C 1 73 LEU 73 140 140 LEU LEU C . n C 1 74 ASN 74 141 141 ASN ASN C . n C 1 75 ASN 75 142 142 ASN ASN C . n C 1 76 LYS 76 143 143 LYS LYS C . n C 1 77 HIS 77 144 144 HIS HIS C . n C 1 78 SER 78 145 145 SER SER C . n C 1 79 ASN 79 146 146 ASN ASN C . n C 1 80 GLY 80 147 147 GLY GLY C . n C 1 81 THR 81 148 148 THR THR C . n C 1 82 ILE 82 149 149 ILE ILE C . n C 1 83 HIS 83 150 150 HIS HIS C . n C 1 84 ASP 84 151 151 ASP ASP C . n C 1 85 ARG 85 152 152 ARG ARG C . n C 1 86 ILE 86 153 153 ILE ILE C . n C 1 87 PRO 87 154 154 PRO PRO C . n C 1 88 HIS 88 155 155 HIS HIS C . n C 1 89 ARG 89 156 156 ARG ARG C . n C 1 90 THR 90 157 157 THR THR C . n C 1 91 LEU 91 158 158 LEU LEU C . n C 1 92 LEU 92 159 159 LEU LEU C . n C 1 93 MET 93 160 160 MET MET C . n C 1 94 SER 94 161 161 SER SER C . n C 1 95 GLU 95 162 162 GLU GLU C . n C 1 96 LEU 96 163 163 LEU LEU C . n C 1 97 GLY 97 164 164 GLY GLY C . n C 1 98 VAL 98 165 165 VAL VAL C . n C 1 99 PRO 99 166 166 PRO PRO C . n C 1 100 PHE 100 167 167 PHE PHE C . n C 1 101 HIS 101 168 168 HIS HIS C . n C 1 102 LEU 102 169 169 LEU LEU C . n C 1 103 GLY 103 170 170 GLY GLY C . n C 1 104 THR 104 171 171 THR THR C . n C 1 105 LYS 105 172 172 LYS LYS C . n C 1 106 GLN 106 173 173 GLN GLN C . n C 1 107 VAL 107 174 174 VAL VAL C . n C 1 108 CYS 108 175 175 CYS CYS C . n C 1 109 ILE 109 176 176 ILE ILE C . n C 1 110 ALA 110 177 177 ALA ALA C . n C 1 111 TRP 111 178 178 TRP TRP C . n C 1 112 SER 112 179 179 SER SER C . n C 1 113 SER 113 180 180 SER SER C . n C 1 114 SER 114 181 181 SER SER C . n C 1 115 SER 115 182 182 SER SER C . n C 1 116 CYS 116 183 183 CYS CYS C . n C 1 117 HIS 117 184 184 HIS HIS C . n C 1 118 ASP 118 185 185 ASP ASP C . n C 1 119 GLY 119 186 186 GLY GLY C . n C 1 120 LYS 120 187 187 LYS LYS C . n C 1 121 ALA 121 188 188 ALA ALA C . n C 1 122 TRP 122 189 189 TRP TRP C . n C 1 123 LEU 123 190 190 LEU LEU C . n C 1 124 HIS 124 191 191 HIS HIS C . n C 1 125 VAL 125 192 192 VAL VAL C . n C 1 126 CYS 126 193 193 CYS CYS C . n C 1 127 VAL 127 194 194 VAL VAL C . n C 1 128 THR 128 195 195 THR THR C . n C 1 129 GLY 129 196 196 GLY GLY C . n C 1 130 ASP 130 197 197 ASP ASP C . n C 1 131 ASP 131 198 198 ASP ASP C . n C 1 132 ARG 132 199 199 ARG ARG C . n C 1 133 ASN 133 200 200 ASN ASN C . n C 1 134 ALA 134 201 201 ALA ALA C . n C 1 135 THR 135 202 202 THR THR C . n C 1 136 ALA 136 203 203 ALA ALA C . n C 1 137 SER 137 204 204 SER SER C . n C 1 138 PHE 138 205 205 PHE PHE C . n C 1 139 ILE 139 206 206 ILE ILE C . n C 1 140 TYR 140 207 207 TYR TYR C . n C 1 141 ASP 141 208 208 ASP ASP C . n C 1 142 GLY 142 209 209 GLY GLY C . n C 1 143 MET 143 210 210 MET MET C . n C 1 144 LEU 144 211 211 LEU LEU C . n C 1 145 ALA 145 212 212 ALA ALA C . n C 1 146 ASP 146 213 213 ASP ASP C . n C 1 147 SER 147 214 214 SER SER C . n C 1 148 ILE 148 215 215 ILE ILE C . n C 1 149 GLY 149 216 216 GLY GLY C . n C 1 150 SER 150 217 217 SER SER C . n C 1 151 TRP 151 218 218 TRP TRP C . n C 1 152 SER 152 219 219 SER SER C . n C 1 153 GLN 153 220 220 GLN GLN C . n C 1 154 ASN 154 221 221 ASN ASN C . n C 1 155 ILE 155 222 222 ILE ILE C . n C 1 156 LEU 156 223 223 LEU LEU C . n C 1 157 ARG 157 224 224 ARG ARG C . n C 1 158 THR 158 225 225 THR THR C . n C 1 159 GLN 159 226 226 GLN GLN C . n C 1 160 GLU 160 227 227 GLU GLU C . n C 1 161 SER 161 228 228 SER SER C . n C 1 162 GLU 162 229 229 GLU GLU C . n C 1 163 CYS 163 230 230 CYS CYS C . n C 1 164 VAL 164 231 231 VAL VAL C . n C 1 165 CYS 165 232 232 CYS CYS C . n C 1 166 ILE 166 233 233 ILE ILE C . n C 1 167 ASN 167 234 234 ASN ASN C . n C 1 168 GLY 168 235 235 GLY GLY C . n C 1 169 THR 169 236 236 THR THR C . n C 1 170 CYS 170 237 237 CYS CYS C . n C 1 171 THR 171 238 238 THR THR C . n C 1 172 VAL 172 239 239 VAL VAL C . n C 1 173 VAL 173 240 240 VAL VAL C . n C 1 174 MET 174 241 241 MET MET C . n C 1 175 THR 175 242 242 THR THR C . n C 1 176 ASP 176 243 243 ASP ASP C . n C 1 177 GLY 177 244 244 GLY GLY C . n C 1 178 SER 178 245 245 SER SER C . n C 1 179 ALA 179 246 246 ALA ALA C . n C 1 180 SER 180 247 247 SER SER C . n C 1 181 GLY 181 248 248 GLY GLY C . n C 1 182 ARG 182 249 249 ARG ARG C . n C 1 183 ALA 183 250 250 ALA ALA C . n C 1 184 ASP 184 251 251 ASP ASP C . n C 1 185 THR 185 252 252 THR THR C . n C 1 186 ARG 186 253 253 ARG ARG C . n C 1 187 ILE 187 254 254 ILE ILE C . n C 1 188 LEU 188 255 255 LEU LEU C . n C 1 189 PHE 189 256 256 PHE PHE C . n C 1 190 ILE 190 257 257 ILE ILE C . n C 1 191 LYS 191 258 258 LYS LYS C . n C 1 192 GLU 192 259 259 GLU GLU C . n C 1 193 GLY 193 260 260 GLY GLY C . n C 1 194 LYS 194 261 261 LYS LYS C . n C 1 195 ILE 195 262 262 ILE ILE C . n C 1 196 VAL 196 263 263 VAL VAL C . n C 1 197 HIS 197 264 264 HIS HIS C . n C 1 198 ILE 198 265 265 ILE ILE C . n C 1 199 SER 199 266 266 SER SER C . n C 1 200 PRO 200 267 267 PRO PRO C . n C 1 201 LEU 201 268 268 LEU LEU C . n C 1 202 SER 202 269 269 SER SER C . n C 1 203 GLY 203 270 270 GLY GLY C . n C 1 204 SER 204 271 271 SER SER C . n C 1 205 ALA 205 272 272 ALA ALA C . n C 1 206 GLN 206 273 273 GLN GLN C . n C 1 207 HIS 207 274 274 HIS HIS C . n C 1 208 ILE 208 275 275 ILE ILE C . n C 1 209 GLU 209 276 276 GLU GLU C . n C 1 210 GLU 210 277 277 GLU GLU C . n C 1 211 CYS 211 278 278 CYS CYS C . n C 1 212 SER 212 279 279 SER SER C . n C 1 213 CYS 213 280 280 CYS CYS C . n C 1 214 TYR 214 281 281 TYR TYR C . n C 1 215 PRO 215 282 282 PRO PRO C . n C 1 216 ARG 216 283 283 ARG ARG C . n C 1 217 TYR 217 284 284 TYR TYR C . n C 1 218 PRO 218 285 285 PRO PRO C . n C 1 219 ASP 219 286 286 ASP ASP C . n C 1 220 VAL 220 287 287 VAL VAL C . n C 1 221 ARG 221 288 288 ARG ARG C . n C 1 222 CYS 222 289 289 CYS CYS C . n C 1 223 VAL 223 290 290 VAL VAL C . n C 1 224 CYS 224 291 291 CYS CYS C . n C 1 225 ARG 225 292 292 ARG ARG C . n C 1 226 ASP 226 293 293 ASP ASP C . n C 1 227 ASN 227 294 294 ASN ASN C . n C 1 228 TRP 228 295 295 TRP TRP C . n C 1 229 LYS 229 296 296 LYS LYS C . n C 1 230 GLY 230 297 297 GLY GLY C . n C 1 231 SER 231 298 298 SER SER C . n C 1 232 ASN 232 299 299 ASN ASN C . n C 1 233 ARG 233 300 300 ARG ARG C . n C 1 234 PRO 234 301 301 PRO PRO C . n C 1 235 VAL 235 302 302 VAL VAL C . n C 1 236 ILE 236 303 303 ILE ILE C . n C 1 237 ASP 237 304 304 ASP ASP C . n C 1 238 ILE 238 305 305 ILE ILE C . n C 1 239 ASN 239 306 306 ASN ASN C . n C 1 240 MET 240 307 307 MET MET C . n C 1 241 ALA 241 308 308 ALA ALA C . n C 1 242 ASP 242 309 309 ASP ASP C . n C 1 243 TYR 243 310 310 TYR TYR C . n C 1 244 SER 244 311 311 SER SER C . n C 1 245 ILE 245 312 312 ILE ILE C . n C 1 246 ASP 246 313 313 ASP ASP C . n C 1 247 SER 247 314 314 SER SER C . n C 1 248 SER 248 315 315 SER SER C . n C 1 249 TYR 249 316 316 TYR TYR C . n C 1 250 VAL 250 317 317 VAL VAL C . n C 1 251 CYS 251 318 318 CYS CYS C . n C 1 252 SER 252 319 319 SER SER C . n C 1 253 GLY 253 320 320 GLY GLY C . n C 1 254 LEU 254 321 321 LEU LEU C . n C 1 255 VAL 255 322 322 VAL VAL C . n C 1 256 GLY 256 323 323 GLY GLY C . n C 1 257 ASP 257 324 324 ASP ASP C . n C 1 258 THR 258 325 325 THR THR C . n C 1 259 PRO 259 326 326 PRO PRO C . n C 1 260 ARG 260 327 327 ARG ARG C . n C 1 261 ASN 261 328 328 ASN ASN C . n C 1 262 ASP 262 329 329 ASP ASP C . n C 1 263 ASP 263 330 330 ASP ASP C . n C 1 264 SER 264 331 331 SER SER C . n C 1 265 SER 265 332 332 SER SER C . n C 1 266 SER 266 333 333 SER SER C . n C 1 267 SER 267 334 334 SER SER C . n C 1 268 SER 268 335 335 SER SER C . n C 1 269 ASN 269 336 336 ASN ASN C . n C 1 270 CYS 270 337 337 CYS CYS C . n C 1 271 ARG 271 338 338 ARG ARG C . n C 1 272 ASP 272 339 339 ASP ASP C . n C 1 273 PRO 273 340 340 PRO PRO C . n C 1 274 ASN 274 341 341 ASN ASN C . n C 1 275 ASN 275 342 342 ASN ASN C . n C 1 276 GLU 276 343 343 GLU GLU C . n C 1 277 ARG 277 344 344 ARG ARG C . n C 1 278 GLY 278 345 345 GLY GLY C . n C 1 279 ASN 279 346 346 ASN ASN C . n C 1 280 PRO 280 347 347 PRO PRO C . n C 1 281 GLY 281 348 348 GLY GLY C . n C 1 282 VAL 282 349 349 VAL VAL C . n C 1 283 LYS 283 350 350 LYS LYS C . n C 1 284 GLY 284 351 351 GLY GLY C . n C 1 285 TRP 285 352 352 TRP TRP C . n C 1 286 ALA 286 353 353 ALA ALA C . n C 1 287 PHE 287 354 354 PHE PHE C . n C 1 288 ASP 288 355 355 ASP ASP C . n C 1 289 ASN 289 356 356 ASN ASN C . n C 1 290 GLY 290 357 357 GLY GLY C . n C 1 291 ASN 291 358 358 ASN ASN C . n C 1 292 ASP 292 359 359 ASP ASP C . n C 1 293 VAL 293 360 360 VAL VAL C . n C 1 294 TRP 294 361 361 TRP TRP C . n C 1 295 MET 295 362 362 MET MET C . n C 1 296 GLY 296 363 363 GLY GLY C . n C 1 297 ARG 297 364 364 ARG ARG C . n C 1 298 THR 298 365 365 THR THR C . n C 1 299 ILE 299 366 366 ILE ILE C . n C 1 300 SER 300 367 367 SER SER C . n C 1 301 GLU 301 368 368 GLU GLU C . n C 1 302 ASP 302 369 369 ASP ASP C . n C 1 303 SER 303 370 370 SER SER C . n C 1 304 ARG 304 371 371 ARG ARG C . n C 1 305 SER 305 372 372 SER SER C . n C 1 306 GLY 306 373 373 GLY GLY C . n C 1 307 TYR 307 374 374 TYR TYR C . n C 1 308 GLU 308 375 375 GLU GLU C . n C 1 309 THR 309 376 376 THR THR C . n C 1 310 PHE 310 377 377 PHE PHE C . n C 1 311 ARG 311 378 378 ARG ARG C . n C 1 312 VAL 312 379 379 VAL VAL C . n C 1 313 THR 313 380 380 THR THR C . n C 1 314 ASP 314 381 381 ASP ASP C . n C 1 315 GLY 315 382 382 GLY GLY C . n C 1 316 TRP 316 383 383 TRP TRP C . n C 1 317 THR 317 384 384 THR THR C . n C 1 318 THR 318 385 385 THR THR C . n C 1 319 ALA 319 386 386 ALA ALA C . n C 1 320 ASN 320 387 387 ASN ASN C . n C 1 321 SER 321 388 388 SER SER C . n C 1 322 LYS 322 389 389 LYS LYS C . n C 1 323 SER 323 390 390 SER SER C . n C 1 324 GLN 324 391 391 GLN GLN C . n C 1 325 VAL 325 392 392 VAL VAL C . n C 1 326 ASN 326 393 393 ASN ASN C . n C 1 327 ARG 327 394 394 ARG ARG C . n C 1 328 GLN 328 395 395 GLN GLN C . n C 1 329 ILE 329 396 396 ILE ILE C . n C 1 330 ILE 330 397 397 ILE ILE C . n C 1 331 VAL 331 398 398 VAL VAL C . n C 1 332 ASP 332 399 399 ASP ASP C . n C 1 333 ASN 333 400 400 ASN ASN C . n C 1 334 ASN 334 401 401 ASN ASN C . n C 1 335 ASN 335 402 402 ASN ASN C . n C 1 336 TRP 336 403 403 TRP TRP C . n C 1 337 SER 337 404 404 SER SER C . n C 1 338 GLY 338 405 405 GLY GLY C . n C 1 339 TYR 339 406 406 TYR TYR C . n C 1 340 SER 340 407 407 SER SER C . n C 1 341 GLY 341 408 408 GLY GLY C . n C 1 342 ILE 342 409 409 ILE ILE C . n C 1 343 PHE 343 410 410 PHE PHE C . n C 1 344 SER 344 411 411 SER SER C . n C 1 345 VAL 345 412 412 VAL VAL C . n C 1 346 GLU 346 413 413 GLU GLU C . n C 1 347 GLY 347 414 414 GLY GLY C . n C 1 348 LYS 348 415 415 LYS LYS C . n C 1 349 SER 349 416 416 SER SER C . n C 1 350 CYS 350 417 417 CYS CYS C . n C 1 351 ILE 351 418 418 ILE ILE C . n C 1 352 ASN 352 419 419 ASN ASN C . n C 1 353 ARG 353 420 420 ARG ARG C . n C 1 354 CYS 354 421 421 CYS CYS C . n C 1 355 PHE 355 422 422 PHE PHE C . n C 1 356 TYR 356 423 423 TYR TYR C . n C 1 357 VAL 357 424 424 VAL VAL C . n C 1 358 GLU 358 425 425 GLU GLU C . n C 1 359 LEU 359 426 426 LEU LEU C . n C 1 360 ILE 360 427 427 ILE ILE C . n C 1 361 ARG 361 428 428 ARG ARG C . n C 1 362 GLY 362 429 429 GLY GLY C . n C 1 363 ARG 363 430 430 ARG ARG C . n C 1 364 PRO 364 431 431 PRO PRO C . n C 1 365 GLN 365 432 432 GLN GLN C . n C 1 366 GLU 366 433 433 GLU GLU C . n C 1 367 THR 367 434 434 THR THR C . n C 1 368 ARG 368 435 435 ARG ARG C . n C 1 369 VAL 369 436 436 VAL VAL C . n C 1 370 TRP 370 437 437 TRP TRP C . n C 1 371 TRP 371 438 438 TRP TRP C . n C 1 372 THR 372 439 439 THR THR C . n C 1 373 SER 373 440 440 SER SER C . n C 1 374 ASN 374 441 441 ASN ASN C . n C 1 375 SER 375 442 442 SER SER C . n C 1 376 ILE 376 443 443 ILE ILE C . n C 1 377 VAL 377 444 444 VAL VAL C . n C 1 378 VAL 378 445 445 VAL VAL C . n C 1 379 PHE 379 446 446 PHE PHE C . n C 1 380 CYS 380 447 447 CYS CYS C . n C 1 381 GLY 381 448 448 GLY GLY C . n C 1 382 THR 382 449 449 THR THR C . n C 1 383 SER 383 450 450 SER SER C . n C 1 384 GLY 384 451 451 GLY GLY C . n C 1 385 THR 385 452 452 THR THR C . n C 1 386 TYR 386 453 453 TYR TYR C . n C 1 387 GLY 387 454 454 GLY GLY C . n C 1 388 THR 388 455 455 THR THR C . n C 1 389 GLY 389 456 456 GLY GLY C . n C 1 390 SER 390 457 457 SER SER C . n C 1 391 TRP 391 458 458 TRP TRP C . n C 1 392 PRO 392 459 459 PRO PRO C . n C 1 393 ASP 393 460 460 ASP ASP C . n C 1 394 GLY 394 461 461 GLY GLY C . n C 1 395 ALA 395 462 462 ALA ALA C . n C 1 396 ASN 396 463 463 ASN ASN C . n C 1 397 ILE 397 464 464 ILE ILE C . n C 1 398 ASN 398 465 465 ASN ASN C . n C 1 399 PHE 399 466 466 PHE PHE C . n C 1 400 MET 400 467 467 MET MET C . n C 1 401 PRO 401 468 468 PRO PRO C . n C 1 402 ILE 402 469 469 ILE ILE C . n D 1 1 SER 1 68 ? ? ? D . n D 1 2 LEU 2 69 ? ? ? D . n D 1 3 VAL 3 70 ? ? ? D . n D 1 4 PRO 4 71 ? ? ? D . n D 1 5 ARG 5 72 ? ? ? D . n D 1 6 GLY 6 73 ? ? ? D . n D 1 7 SER 7 74 ? ? ? D . n D 1 8 GLY 8 75 ? ? ? D . n D 1 9 ASP 9 76 ? ? ? D . n D 1 10 SER 10 77 ? ? ? D . n D 1 11 GLY 11 78 ? ? ? D . n D 1 12 SER 12 79 ? ? ? D . n D 1 13 PRO 13 80 ? ? ? D . n D 1 14 GLY 14 81 ? ? ? D . n D 1 15 ALA 15 82 82 ALA ALA D . n D 1 16 GLU 16 83 83 GLU GLU D . n D 1 17 TYR 17 84 84 TYR TYR D . n D 1 18 ARG 18 85 85 ARG ARG D . n D 1 19 ASN 19 86 86 ASN ASN D . n D 1 20 TRP 20 87 87 TRP TRP D . n D 1 21 SER 21 88 88 SER SER D . n D 1 22 LYS 22 89 89 LYS LYS D . n D 1 23 PRO 23 90 90 PRO PRO D . n D 1 24 GLN 24 91 91 GLN GLN D . n D 1 25 CYS 25 92 92 CYS CYS D . n D 1 26 GLN 26 93 93 GLN GLN D . n D 1 27 ILE 27 94 94 ILE ILE D . n D 1 28 THR 28 95 95 THR THR D . n D 1 29 GLY 29 96 96 GLY GLY D . n D 1 30 PHE 30 97 97 PHE PHE D . n D 1 31 ALA 31 98 98 ALA ALA D . n D 1 32 PRO 32 99 99 PRO PRO D . n D 1 33 PHE 33 100 100 PHE PHE D . n D 1 34 SER 34 101 101 SER SER D . n D 1 35 LYS 35 102 102 LYS LYS D . n D 1 36 ASP 36 103 103 ASP ASP D . n D 1 37 ASN 37 104 104 ASN ASN D . n D 1 38 SER 38 105 105 SER SER D . n D 1 39 ILE 39 106 106 ILE ILE D . n D 1 40 ARG 40 107 107 ARG ARG D . n D 1 41 LEU 41 108 108 LEU LEU D . n D 1 42 SER 42 109 109 SER SER D . n D 1 43 ALA 43 110 110 ALA ALA D . n D 1 44 GLY 44 111 111 GLY GLY D . n D 1 45 GLY 45 112 112 GLY GLY D . n D 1 46 ASP 46 113 113 ASP ASP D . n D 1 47 ILE 47 114 114 ILE ILE D . n D 1 48 TRP 48 115 115 TRP TRP D . n D 1 49 VAL 49 116 116 VAL VAL D . n D 1 50 THR 50 117 117 THR THR D . n D 1 51 ARG 51 118 118 ARG ARG D . n D 1 52 GLU 52 119 119 GLU GLU D . n D 1 53 PRO 53 120 120 PRO PRO D . n D 1 54 TYR 54 121 121 TYR TYR D . n D 1 55 VAL 55 122 122 VAL VAL D . n D 1 56 SER 56 123 123 SER SER D . n D 1 57 CYS 57 124 124 CYS CYS D . n D 1 58 SER 58 125 125 SER SER D . n D 1 59 PRO 59 126 126 PRO PRO D . n D 1 60 GLY 60 127 127 GLY GLY D . n D 1 61 LYS 61 128 128 LYS LYS D . n D 1 62 CYS 62 129 129 CYS CYS D . n D 1 63 TYR 63 130 130 TYR TYR D . n D 1 64 GLN 64 131 131 GLN GLN D . n D 1 65 PHE 65 132 132 PHE PHE D . n D 1 66 ALA 66 133 133 ALA ALA D . n D 1 67 LEU 67 134 134 LEU LEU D . n D 1 68 GLY 68 135 135 GLY GLY D . n D 1 69 GLN 69 136 136 GLN GLN D . n D 1 70 GLY 70 137 137 GLY GLY D . n D 1 71 THR 71 138 138 THR THR D . n D 1 72 THR 72 139 139 THR THR D . n D 1 73 LEU 73 140 140 LEU LEU D . n D 1 74 ASN 74 141 141 ASN ASN D . n D 1 75 ASN 75 142 142 ASN ASN D . n D 1 76 LYS 76 143 143 LYS LYS D . n D 1 77 HIS 77 144 144 HIS HIS D . n D 1 78 SER 78 145 145 SER SER D . n D 1 79 ASN 79 146 146 ASN ASN D . n D 1 80 GLY 80 147 147 GLY GLY D . n D 1 81 THR 81 148 148 THR THR D . n D 1 82 ILE 82 149 149 ILE ILE D . n D 1 83 HIS 83 150 150 HIS HIS D . n D 1 84 ASP 84 151 151 ASP ASP D . n D 1 85 ARG 85 152 152 ARG ARG D . n D 1 86 ILE 86 153 153 ILE ILE D . n D 1 87 PRO 87 154 154 PRO PRO D . n D 1 88 HIS 88 155 155 HIS HIS D . n D 1 89 ARG 89 156 156 ARG ARG D . n D 1 90 THR 90 157 157 THR THR D . n D 1 91 LEU 91 158 158 LEU LEU D . n D 1 92 LEU 92 159 159 LEU LEU D . n D 1 93 MET 93 160 160 MET MET D . n D 1 94 SER 94 161 161 SER SER D . n D 1 95 GLU 95 162 162 GLU GLU D . n D 1 96 LEU 96 163 163 LEU LEU D . n D 1 97 GLY 97 164 164 GLY GLY D . n D 1 98 VAL 98 165 165 VAL VAL D . n D 1 99 PRO 99 166 166 PRO PRO D . n D 1 100 PHE 100 167 167 PHE PHE D . n D 1 101 HIS 101 168 168 HIS HIS D . n D 1 102 LEU 102 169 169 LEU LEU D . n D 1 103 GLY 103 170 170 GLY GLY D . n D 1 104 THR 104 171 171 THR THR D . n D 1 105 LYS 105 172 172 LYS LYS D . n D 1 106 GLN 106 173 173 GLN GLN D . n D 1 107 VAL 107 174 174 VAL VAL D . n D 1 108 CYS 108 175 175 CYS CYS D . n D 1 109 ILE 109 176 176 ILE ILE D . n D 1 110 ALA 110 177 177 ALA ALA D . n D 1 111 TRP 111 178 178 TRP TRP D . n D 1 112 SER 112 179 179 SER SER D . n D 1 113 SER 113 180 180 SER SER D . n D 1 114 SER 114 181 181 SER SER D . n D 1 115 SER 115 182 182 SER SER D . n D 1 116 CYS 116 183 183 CYS CYS D . n D 1 117 HIS 117 184 184 HIS HIS D . n D 1 118 ASP 118 185 185 ASP ASP D . n D 1 119 GLY 119 186 186 GLY GLY D . n D 1 120 LYS 120 187 187 LYS LYS D . n D 1 121 ALA 121 188 188 ALA ALA D . n D 1 122 TRP 122 189 189 TRP TRP D . n D 1 123 LEU 123 190 190 LEU LEU D . n D 1 124 HIS 124 191 191 HIS HIS D . n D 1 125 VAL 125 192 192 VAL VAL D . n D 1 126 CYS 126 193 193 CYS CYS D . n D 1 127 VAL 127 194 194 VAL VAL D . n D 1 128 THR 128 195 195 THR THR D . n D 1 129 GLY 129 196 196 GLY GLY D . n D 1 130 ASP 130 197 197 ASP ASP D . n D 1 131 ASP 131 198 198 ASP ASP D . n D 1 132 ARG 132 199 199 ARG ARG D . n D 1 133 ASN 133 200 200 ASN ASN D . n D 1 134 ALA 134 201 201 ALA ALA D . n D 1 135 THR 135 202 202 THR THR D . n D 1 136 ALA 136 203 203 ALA ALA D . n D 1 137 SER 137 204 204 SER SER D . n D 1 138 PHE 138 205 205 PHE PHE D . n D 1 139 ILE 139 206 206 ILE ILE D . n D 1 140 TYR 140 207 207 TYR TYR D . n D 1 141 ASP 141 208 208 ASP ASP D . n D 1 142 GLY 142 209 209 GLY GLY D . n D 1 143 MET 143 210 210 MET MET D . n D 1 144 LEU 144 211 211 LEU LEU D . n D 1 145 ALA 145 212 212 ALA ALA D . n D 1 146 ASP 146 213 213 ASP ASP D . n D 1 147 SER 147 214 214 SER SER D . n D 1 148 ILE 148 215 215 ILE ILE D . n D 1 149 GLY 149 216 216 GLY GLY D . n D 1 150 SER 150 217 217 SER SER D . n D 1 151 TRP 151 218 218 TRP TRP D . n D 1 152 SER 152 219 219 SER SER D . n D 1 153 GLN 153 220 220 GLN GLN D . n D 1 154 ASN 154 221 221 ASN ASN D . n D 1 155 ILE 155 222 222 ILE ILE D . n D 1 156 LEU 156 223 223 LEU LEU D . n D 1 157 ARG 157 224 224 ARG ARG D . n D 1 158 THR 158 225 225 THR THR D . n D 1 159 GLN 159 226 226 GLN GLN D . n D 1 160 GLU 160 227 227 GLU GLU D . n D 1 161 SER 161 228 228 SER SER D . n D 1 162 GLU 162 229 229 GLU GLU D . n D 1 163 CYS 163 230 230 CYS CYS D . n D 1 164 VAL 164 231 231 VAL VAL D . n D 1 165 CYS 165 232 232 CYS CYS D . n D 1 166 ILE 166 233 233 ILE ILE D . n D 1 167 ASN 167 234 234 ASN ASN D . n D 1 168 GLY 168 235 235 GLY GLY D . n D 1 169 THR 169 236 236 THR THR D . n D 1 170 CYS 170 237 237 CYS CYS D . n D 1 171 THR 171 238 238 THR THR D . n D 1 172 VAL 172 239 239 VAL VAL D . n D 1 173 VAL 173 240 240 VAL VAL D . n D 1 174 MET 174 241 241 MET MET D . n D 1 175 THR 175 242 242 THR THR D . n D 1 176 ASP 176 243 243 ASP ASP D . n D 1 177 GLY 177 244 244 GLY GLY D . n D 1 178 SER 178 245 245 SER SER D . n D 1 179 ALA 179 246 246 ALA ALA D . n D 1 180 SER 180 247 247 SER SER D . n D 1 181 GLY 181 248 248 GLY GLY D . n D 1 182 ARG 182 249 249 ARG ARG D . n D 1 183 ALA 183 250 250 ALA ALA D . n D 1 184 ASP 184 251 251 ASP ASP D . n D 1 185 THR 185 252 252 THR THR D . n D 1 186 ARG 186 253 253 ARG ARG D . n D 1 187 ILE 187 254 254 ILE ILE D . n D 1 188 LEU 188 255 255 LEU LEU D . n D 1 189 PHE 189 256 256 PHE PHE D . n D 1 190 ILE 190 257 257 ILE ILE D . n D 1 191 LYS 191 258 258 LYS LYS D . n D 1 192 GLU 192 259 259 GLU GLU D . n D 1 193 GLY 193 260 260 GLY GLY D . n D 1 194 LYS 194 261 261 LYS LYS D . n D 1 195 ILE 195 262 262 ILE ILE D . n D 1 196 VAL 196 263 263 VAL VAL D . n D 1 197 HIS 197 264 264 HIS HIS D . n D 1 198 ILE 198 265 265 ILE ILE D . n D 1 199 SER 199 266 266 SER SER D . n D 1 200 PRO 200 267 267 PRO PRO D . n D 1 201 LEU 201 268 268 LEU LEU D . n D 1 202 SER 202 269 269 SER SER D . n D 1 203 GLY 203 270 270 GLY GLY D . n D 1 204 SER 204 271 271 SER SER D . n D 1 205 ALA 205 272 272 ALA ALA D . n D 1 206 GLN 206 273 273 GLN GLN D . n D 1 207 HIS 207 274 274 HIS HIS D . n D 1 208 ILE 208 275 275 ILE ILE D . n D 1 209 GLU 209 276 276 GLU GLU D . n D 1 210 GLU 210 277 277 GLU GLU D . n D 1 211 CYS 211 278 278 CYS CYS D . n D 1 212 SER 212 279 279 SER SER D . n D 1 213 CYS 213 280 280 CYS CYS D . n D 1 214 TYR 214 281 281 TYR TYR D . n D 1 215 PRO 215 282 282 PRO PRO D . n D 1 216 ARG 216 283 283 ARG ARG D . n D 1 217 TYR 217 284 284 TYR TYR D . n D 1 218 PRO 218 285 285 PRO PRO D . n D 1 219 ASP 219 286 286 ASP ASP D . n D 1 220 VAL 220 287 287 VAL VAL D . n D 1 221 ARG 221 288 288 ARG ARG D . n D 1 222 CYS 222 289 289 CYS CYS D . n D 1 223 VAL 223 290 290 VAL VAL D . n D 1 224 CYS 224 291 291 CYS CYS D . n D 1 225 ARG 225 292 292 ARG ARG D . n D 1 226 ASP 226 293 293 ASP ASP D . n D 1 227 ASN 227 294 294 ASN ASN D . n D 1 228 TRP 228 295 295 TRP TRP D . n D 1 229 LYS 229 296 296 LYS LYS D . n D 1 230 GLY 230 297 297 GLY GLY D . n D 1 231 SER 231 298 298 SER SER D . n D 1 232 ASN 232 299 299 ASN ASN D . n D 1 233 ARG 233 300 300 ARG ARG D . n D 1 234 PRO 234 301 301 PRO PRO D . n D 1 235 VAL 235 302 302 VAL VAL D . n D 1 236 ILE 236 303 303 ILE ILE D . n D 1 237 ASP 237 304 304 ASP ASP D . n D 1 238 ILE 238 305 305 ILE ILE D . n D 1 239 ASN 239 306 306 ASN ASN D . n D 1 240 MET 240 307 307 MET MET D . n D 1 241 ALA 241 308 308 ALA ALA D . n D 1 242 ASP 242 309 309 ASP ASP D . n D 1 243 TYR 243 310 310 TYR TYR D . n D 1 244 SER 244 311 311 SER SER D . n D 1 245 ILE 245 312 312 ILE ILE D . n D 1 246 ASP 246 313 313 ASP ASP D . n D 1 247 SER 247 314 314 SER SER D . n D 1 248 SER 248 315 315 SER SER D . n D 1 249 TYR 249 316 316 TYR TYR D . n D 1 250 VAL 250 317 317 VAL VAL D . n D 1 251 CYS 251 318 318 CYS CYS D . n D 1 252 SER 252 319 319 SER SER D . n D 1 253 GLY 253 320 320 GLY GLY D . n D 1 254 LEU 254 321 321 LEU LEU D . n D 1 255 VAL 255 322 322 VAL VAL D . n D 1 256 GLY 256 323 323 GLY GLY D . n D 1 257 ASP 257 324 324 ASP ASP D . n D 1 258 THR 258 325 325 THR THR D . n D 1 259 PRO 259 326 326 PRO PRO D . n D 1 260 ARG 260 327 327 ARG ARG D . n D 1 261 ASN 261 328 328 ASN ASN D . n D 1 262 ASP 262 329 329 ASP ASP D . n D 1 263 ASP 263 330 330 ASP ASP D . n D 1 264 SER 264 331 331 SER SER D . n D 1 265 SER 265 332 332 SER SER D . n D 1 266 SER 266 333 333 SER SER D . n D 1 267 SER 267 334 334 SER SER D . n D 1 268 SER 268 335 335 SER SER D . n D 1 269 ASN 269 336 336 ASN ASN D . n D 1 270 CYS 270 337 337 CYS CYS D . n D 1 271 ARG 271 338 338 ARG ARG D . n D 1 272 ASP 272 339 339 ASP ASP D . n D 1 273 PRO 273 340 340 PRO PRO D . n D 1 274 ASN 274 341 341 ASN ASN D . n D 1 275 ASN 275 342 342 ASN ASN D . n D 1 276 GLU 276 343 343 GLU GLU D . n D 1 277 ARG 277 344 344 ARG ARG D . n D 1 278 GLY 278 345 345 GLY GLY D . n D 1 279 ASN 279 346 346 ASN ASN D . n D 1 280 PRO 280 347 347 PRO PRO D . n D 1 281 GLY 281 348 348 GLY GLY D . n D 1 282 VAL 282 349 349 VAL VAL D . n D 1 283 LYS 283 350 350 LYS LYS D . n D 1 284 GLY 284 351 351 GLY GLY D . n D 1 285 TRP 285 352 352 TRP TRP D . n D 1 286 ALA 286 353 353 ALA ALA D . n D 1 287 PHE 287 354 354 PHE PHE D . n D 1 288 ASP 288 355 355 ASP ASP D . n D 1 289 ASN 289 356 356 ASN ASN D . n D 1 290 GLY 290 357 357 GLY GLY D . n D 1 291 ASN 291 358 358 ASN ASN D . n D 1 292 ASP 292 359 359 ASP ASP D . n D 1 293 VAL 293 360 360 VAL VAL D . n D 1 294 TRP 294 361 361 TRP TRP D . n D 1 295 MET 295 362 362 MET MET D . n D 1 296 GLY 296 363 363 GLY GLY D . n D 1 297 ARG 297 364 364 ARG ARG D . n D 1 298 THR 298 365 365 THR THR D . n D 1 299 ILE 299 366 366 ILE ILE D . n D 1 300 SER 300 367 367 SER SER D . n D 1 301 GLU 301 368 368 GLU GLU D . n D 1 302 ASP 302 369 369 ASP ASP D . n D 1 303 SER 303 370 370 SER SER D . n D 1 304 ARG 304 371 371 ARG ARG D . n D 1 305 SER 305 372 372 SER SER D . n D 1 306 GLY 306 373 373 GLY GLY D . n D 1 307 TYR 307 374 374 TYR TYR D . n D 1 308 GLU 308 375 375 GLU GLU D . n D 1 309 THR 309 376 376 THR THR D . n D 1 310 PHE 310 377 377 PHE PHE D . n D 1 311 ARG 311 378 378 ARG ARG D . n D 1 312 VAL 312 379 379 VAL VAL D . n D 1 313 THR 313 380 380 THR THR D . n D 1 314 ASP 314 381 381 ASP ASP D . n D 1 315 GLY 315 382 382 GLY GLY D . n D 1 316 TRP 316 383 383 TRP TRP D . n D 1 317 THR 317 384 384 THR THR D . n D 1 318 THR 318 385 385 THR THR D . n D 1 319 ALA 319 386 386 ALA ALA D . n D 1 320 ASN 320 387 387 ASN ASN D . n D 1 321 SER 321 388 388 SER SER D . n D 1 322 LYS 322 389 389 LYS LYS D . n D 1 323 SER 323 390 390 SER SER D . n D 1 324 GLN 324 391 391 GLN GLN D . n D 1 325 VAL 325 392 392 VAL VAL D . n D 1 326 ASN 326 393 393 ASN ASN D . n D 1 327 ARG 327 394 394 ARG ARG D . n D 1 328 GLN 328 395 395 GLN GLN D . n D 1 329 ILE 329 396 396 ILE ILE D . n D 1 330 ILE 330 397 397 ILE ILE D . n D 1 331 VAL 331 398 398 VAL VAL D . n D 1 332 ASP 332 399 399 ASP ASP D . n D 1 333 ASN 333 400 400 ASN ASN D . n D 1 334 ASN 334 401 401 ASN ASN D . n D 1 335 ASN 335 402 402 ASN ASN D . n D 1 336 TRP 336 403 403 TRP TRP D . n D 1 337 SER 337 404 404 SER SER D . n D 1 338 GLY 338 405 405 GLY GLY D . n D 1 339 TYR 339 406 406 TYR TYR D . n D 1 340 SER 340 407 407 SER SER D . n D 1 341 GLY 341 408 408 GLY GLY D . n D 1 342 ILE 342 409 409 ILE ILE D . n D 1 343 PHE 343 410 410 PHE PHE D . n D 1 344 SER 344 411 411 SER SER D . n D 1 345 VAL 345 412 412 VAL VAL D . n D 1 346 GLU 346 413 413 GLU GLU D . n D 1 347 GLY 347 414 414 GLY GLY D . n D 1 348 LYS 348 415 415 LYS LYS D . n D 1 349 SER 349 416 416 SER SER D . n D 1 350 CYS 350 417 417 CYS CYS D . n D 1 351 ILE 351 418 418 ILE ILE D . n D 1 352 ASN 352 419 419 ASN ASN D . n D 1 353 ARG 353 420 420 ARG ARG D . n D 1 354 CYS 354 421 421 CYS CYS D . n D 1 355 PHE 355 422 422 PHE PHE D . n D 1 356 TYR 356 423 423 TYR TYR D . n D 1 357 VAL 357 424 424 VAL VAL D . n D 1 358 GLU 358 425 425 GLU GLU D . n D 1 359 LEU 359 426 426 LEU LEU D . n D 1 360 ILE 360 427 427 ILE ILE D . n D 1 361 ARG 361 428 428 ARG ARG D . n D 1 362 GLY 362 429 429 GLY GLY D . n D 1 363 ARG 363 430 430 ARG ARG D . n D 1 364 PRO 364 431 431 PRO PRO D . n D 1 365 GLN 365 432 432 GLN GLN D . n D 1 366 GLU 366 433 433 GLU GLU D . n D 1 367 THR 367 434 434 THR THR D . n D 1 368 ARG 368 435 435 ARG ARG D . n D 1 369 VAL 369 436 436 VAL VAL D . n D 1 370 TRP 370 437 437 TRP TRP D . n D 1 371 TRP 371 438 438 TRP TRP D . n D 1 372 THR 372 439 439 THR THR D . n D 1 373 SER 373 440 440 SER SER D . n D 1 374 ASN 374 441 441 ASN ASN D . n D 1 375 SER 375 442 442 SER SER D . n D 1 376 ILE 376 443 443 ILE ILE D . n D 1 377 VAL 377 444 444 VAL VAL D . n D 1 378 VAL 378 445 445 VAL VAL D . n D 1 379 PHE 379 446 446 PHE PHE D . n D 1 380 CYS 380 447 447 CYS CYS D . n D 1 381 GLY 381 448 448 GLY GLY D . n D 1 382 THR 382 449 449 THR THR D . n D 1 383 SER 383 450 450 SER SER D . n D 1 384 GLY 384 451 451 GLY GLY D . n D 1 385 THR 385 452 452 THR THR D . n D 1 386 TYR 386 453 453 TYR TYR D . n D 1 387 GLY 387 454 454 GLY GLY D . n D 1 388 THR 388 455 455 THR THR D . n D 1 389 GLY 389 456 456 GLY GLY D . n D 1 390 SER 390 457 457 SER SER D . n D 1 391 TRP 391 458 458 TRP TRP D . n D 1 392 PRO 392 459 459 PRO PRO D . n D 1 393 ASP 393 460 460 ASP ASP D . n D 1 394 GLY 394 461 461 GLY GLY D . n D 1 395 ALA 395 462 462 ALA ALA D . n D 1 396 ASN 396 463 463 ASN ASN D . n D 1 397 ILE 397 464 464 ILE ILE D . n D 1 398 ASN 398 465 465 ASN ASN D . n D 1 399 PHE 399 466 466 PHE PHE D . n D 1 400 MET 400 467 467 MET MET D . n D 1 401 PRO 401 468 468 PRO PRO D . n D 1 402 ILE 402 469 469 ILE ILE 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 2 CA 1 501 501 CA CA A . F 3 NAG 1 502 601 NAG NAG A . G 3 NAG 2 503 602 NAG NAG A . H 3 NAG 1 504 701 NAG NAG A . I 3 NAG 2 505 702 NAG NAG A . J 3 NAG 1 506 801 NAG NAG A . K 3 NAG 2 507 802 NAG NAG A . L 4 BMA 3 508 803 BMA BMA A . M 5 MAN 4 509 804 MAN MAN A . N 5 MAN 5 510 805 MAN MAN A . O 5 MAN 6 511 806 MAN MAN A . P 5 MAN 7 512 807 MAN MAN A . Q 2 CA 1 501 501 CA CA B . R 3 NAG 1 502 601 NAG NAG B . S 3 NAG 2 503 602 NAG NAG B . T 3 NAG 1 504 701 NAG NAG B . U 3 NAG 1 505 801 NAG NAG B . V 3 NAG 2 506 802 NAG NAG B . W 4 BMA 3 507 803 BMA BMA B . X 5 MAN 4 508 804 MAN MAN B . Y 5 MAN 5 509 805 MAN MAN B . Z 5 MAN 6 510 806 MAN MAN B . AA 5 MAN 7 511 807 MAN MAN B . BA 2 CA 1 501 501 CA CA C . CA 3 NAG 1 502 601 NAG NAG C . DA 3 NAG 2 503 602 NAG NAG C . EA 3 NAG 1 504 701 NAG NAG C . FA 3 NAG 1 505 801 NAG NAG C . GA 3 NAG 2 506 802 NAG NAG C . HA 4 BMA 3 507 803 BMA BMA C . IA 5 MAN 4 508 804 MAN MAN C . JA 5 MAN 5 509 805 MAN MAN C . KA 5 MAN 6 510 806 MAN MAN C . LA 5 MAN 7 511 807 MAN MAN C . MA 2 CA 1 501 501 CA CA D . NA 3 NAG 1 502 601 NAG NAG D . OA 3 NAG 2 503 602 NAG NAG D . PA 3 NAG 1 504 701 NAG NAG D . QA 3 NAG 1 505 801 NAG NAG D . RA 3 NAG 2 506 802 NAG NAG D . SA 4 BMA 3 507 803 BMA BMA D . TA 5 MAN 4 508 804 MAN MAN D . UA 5 MAN 5 509 805 MAN MAN D . VA 5 MAN 6 510 806 MAN MAN D . WA 5 MAN 7 511 807 MAN MAN D . XA 6 HOH 1 601 250 HOH HOH A . XA 6 HOH 2 602 76 HOH HOH A . XA 6 HOH 3 603 388 HOH HOH A . XA 6 HOH 4 604 322 HOH HOH A . XA 6 HOH 5 605 404 HOH HOH A . XA 6 HOH 6 606 131 HOH HOH A . XA 6 HOH 7 607 70 HOH HOH A . XA 6 HOH 8 608 66 HOH HOH A . XA 6 HOH 9 609 16 HOH HOH A . XA 6 HOH 10 610 260 HOH HOH A . XA 6 HOH 11 611 269 HOH HOH A . XA 6 HOH 12 612 383 HOH HOH A . XA 6 HOH 13 613 71 HOH HOH A . XA 6 HOH 14 614 229 HOH HOH A . XA 6 HOH 15 615 384 HOH HOH A . XA 6 HOH 16 616 57 HOH HOH A . XA 6 HOH 17 617 133 HOH HOH A . XA 6 HOH 18 618 247 HOH HOH A . XA 6 HOH 19 619 178 HOH HOH A . XA 6 HOH 20 620 366 HOH HOH A . XA 6 HOH 21 621 123 HOH HOH A . XA 6 HOH 22 622 83 HOH HOH A . XA 6 HOH 23 623 52 HOH HOH A . XA 6 HOH 24 624 393 HOH HOH A . XA 6 HOH 25 625 117 HOH HOH A . XA 6 HOH 26 626 6 HOH HOH A . XA 6 HOH 27 627 113 HOH HOH A . XA 6 HOH 28 628 348 HOH HOH A . XA 6 HOH 29 629 25 HOH HOH A . XA 6 HOH 30 630 360 HOH HOH A . XA 6 HOH 31 631 118 HOH HOH A . XA 6 HOH 32 632 174 HOH HOH A . XA 6 HOH 33 633 152 HOH HOH A . XA 6 HOH 34 634 73 HOH HOH A . XA 6 HOH 35 635 18 HOH HOH A . XA 6 HOH 36 636 263 HOH HOH A . XA 6 HOH 37 637 19 HOH HOH A . XA 6 HOH 38 638 37 HOH HOH A . XA 6 HOH 39 639 34 HOH HOH A . XA 6 HOH 40 640 342 HOH HOH A . XA 6 HOH 41 641 14 HOH HOH A . XA 6 HOH 42 642 143 HOH HOH A . XA 6 HOH 43 643 86 HOH HOH A . XA 6 HOH 44 644 30 HOH HOH A . XA 6 HOH 45 645 65 HOH HOH A . XA 6 HOH 46 646 163 HOH HOH A . XA 6 HOH 47 647 27 HOH HOH A . XA 6 HOH 48 648 328 HOH HOH A . XA 6 HOH 49 649 320 HOH HOH A . XA 6 HOH 50 650 184 HOH HOH A . XA 6 HOH 51 651 369 HOH HOH A . XA 6 HOH 52 652 162 HOH HOH A . XA 6 HOH 53 653 49 HOH HOH A . XA 6 HOH 54 654 208 HOH HOH A . XA 6 HOH 55 655 80 HOH HOH A . XA 6 HOH 56 656 173 HOH HOH A . XA 6 HOH 57 657 356 HOH HOH A . XA 6 HOH 58 658 85 HOH HOH A . XA 6 HOH 59 659 225 HOH HOH A . XA 6 HOH 60 660 332 HOH HOH A . XA 6 HOH 61 661 352 HOH HOH A . XA 6 HOH 62 662 84 HOH HOH A . XA 6 HOH 63 663 278 HOH HOH A . XA 6 HOH 64 664 20 HOH HOH A . XA 6 HOH 65 665 396 HOH HOH A . XA 6 HOH 66 666 36 HOH HOH A . XA 6 HOH 67 667 318 HOH HOH A . XA 6 HOH 68 668 234 HOH HOH A . XA 6 HOH 69 669 98 HOH HOH A . XA 6 HOH 70 670 189 HOH HOH A . XA 6 HOH 71 671 153 HOH HOH A . XA 6 HOH 72 672 161 HOH HOH A . XA 6 HOH 73 673 157 HOH HOH A . XA 6 HOH 74 674 321 HOH HOH A . XA 6 HOH 75 675 268 HOH HOH A . XA 6 HOH 76 676 211 HOH HOH A . XA 6 HOH 77 677 224 HOH HOH A . XA 6 HOH 78 678 103 HOH HOH A . XA 6 HOH 79 679 400 HOH HOH A . XA 6 HOH 80 680 307 HOH HOH A . XA 6 HOH 81 681 141 HOH HOH A . XA 6 HOH 82 682 241 HOH HOH A . XA 6 HOH 83 683 311 HOH HOH A . XA 6 HOH 84 684 382 HOH HOH A . XA 6 HOH 85 685 198 HOH HOH A . XA 6 HOH 86 686 218 HOH HOH A . XA 6 HOH 87 687 395 HOH HOH A . XA 6 HOH 88 688 243 HOH HOH A . XA 6 HOH 89 689 425 HOH HOH A . XA 6 HOH 90 690 289 HOH HOH A . XA 6 HOH 91 691 345 HOH HOH A . XA 6 HOH 92 692 372 HOH HOH A . XA 6 HOH 93 693 298 HOH HOH A . XA 6 HOH 94 694 364 HOH HOH A . XA 6 HOH 95 695 353 HOH HOH A . XA 6 HOH 96 696 344 HOH HOH A . XA 6 HOH 97 697 280 HOH HOH A . XA 6 HOH 98 698 187 HOH HOH A . YA 6 HOH 1 601 397 HOH HOH B . YA 6 HOH 2 602 258 HOH HOH B . YA 6 HOH 3 603 81 HOH HOH B . YA 6 HOH 4 604 181 HOH HOH B . YA 6 HOH 5 605 122 HOH HOH B . YA 6 HOH 6 606 95 HOH HOH B . YA 6 HOH 7 607 316 HOH HOH B . YA 6 HOH 8 608 90 HOH HOH B . YA 6 HOH 9 609 254 HOH HOH B . YA 6 HOH 10 610 33 HOH HOH B . YA 6 HOH 11 611 130 HOH HOH B . YA 6 HOH 12 612 230 HOH HOH B . YA 6 HOH 13 613 172 HOH HOH B . YA 6 HOH 14 614 277 HOH HOH B . YA 6 HOH 15 615 257 HOH HOH B . YA 6 HOH 16 616 32 HOH HOH B . YA 6 HOH 17 617 104 HOH HOH B . YA 6 HOH 18 618 147 HOH HOH B . YA 6 HOH 19 619 22 HOH HOH B . YA 6 HOH 20 620 166 HOH HOH B . YA 6 HOH 21 621 200 HOH HOH B . YA 6 HOH 22 622 59 HOH HOH B . YA 6 HOH 23 623 63 HOH HOH B . YA 6 HOH 24 624 156 HOH HOH B . YA 6 HOH 25 625 119 HOH HOH B . YA 6 HOH 26 626 255 HOH HOH B . YA 6 HOH 27 627 4 HOH HOH B . YA 6 HOH 28 628 359 HOH HOH B . YA 6 HOH 29 629 60 HOH HOH B . YA 6 HOH 30 630 331 HOH HOH B . YA 6 HOH 31 631 281 HOH HOH B . YA 6 HOH 32 632 42 HOH HOH B . YA 6 HOH 33 633 275 HOH HOH B . YA 6 HOH 34 634 127 HOH HOH B . YA 6 HOH 35 635 419 HOH HOH B . YA 6 HOH 36 636 116 HOH HOH B . YA 6 HOH 37 637 120 HOH HOH B . YA 6 HOH 38 638 46 HOH HOH B . YA 6 HOH 39 639 423 HOH HOH B . YA 6 HOH 40 640 93 HOH HOH B . YA 6 HOH 41 641 309 HOH HOH B . YA 6 HOH 42 642 50 HOH HOH B . YA 6 HOH 43 643 109 HOH HOH B . YA 6 HOH 44 644 51 HOH HOH B . YA 6 HOH 45 645 315 HOH HOH B . YA 6 HOH 46 646 221 HOH HOH B . YA 6 HOH 47 647 132 HOH HOH B . YA 6 HOH 48 648 43 HOH HOH B . YA 6 HOH 49 649 75 HOH HOH B . YA 6 HOH 50 650 351 HOH HOH B . YA 6 HOH 51 651 252 HOH HOH B . YA 6 HOH 52 652 61 HOH HOH B . YA 6 HOH 53 653 92 HOH HOH B . YA 6 HOH 54 654 115 HOH HOH B . YA 6 HOH 55 655 112 HOH HOH B . YA 6 HOH 56 656 39 HOH HOH B . YA 6 HOH 57 657 79 HOH HOH B . YA 6 HOH 58 658 336 HOH HOH B . YA 6 HOH 59 659 191 HOH HOH B . YA 6 HOH 60 660 371 HOH HOH B . YA 6 HOH 61 661 283 HOH HOH B . YA 6 HOH 62 662 354 HOH HOH B . YA 6 HOH 63 663 140 HOH HOH B . YA 6 HOH 64 664 236 HOH HOH B . YA 6 HOH 65 665 333 HOH HOH B . YA 6 HOH 66 666 297 HOH HOH B . YA 6 HOH 67 667 177 HOH HOH B . YA 6 HOH 68 668 167 HOH HOH B . YA 6 HOH 69 669 327 HOH HOH B . YA 6 HOH 70 670 244 HOH HOH B . YA 6 HOH 71 671 158 HOH HOH B . YA 6 HOH 72 672 262 HOH HOH B . YA 6 HOH 73 673 216 HOH HOH B . YA 6 HOH 74 674 368 HOH HOH B . YA 6 HOH 75 675 176 HOH HOH B . YA 6 HOH 76 676 196 HOH HOH B . YA 6 HOH 77 677 231 HOH HOH B . YA 6 HOH 78 678 266 HOH HOH B . YA 6 HOH 79 679 424 HOH HOH B . YA 6 HOH 80 680 295 HOH HOH B . YA 6 HOH 81 681 190 HOH HOH B . YA 6 HOH 82 682 207 HOH HOH B . YA 6 HOH 83 683 358 HOH HOH B . YA 6 HOH 84 684 107 HOH HOH B . YA 6 HOH 85 685 291 HOH HOH B . YA 6 HOH 86 686 308 HOH HOH B . YA 6 HOH 87 687 171 HOH HOH B . YA 6 HOH 88 688 249 HOH HOH B . YA 6 HOH 89 689 323 HOH HOH B . YA 6 HOH 90 690 201 HOH HOH B . YA 6 HOH 91 691 374 HOH HOH B . YA 6 HOH 92 692 386 HOH HOH B . YA 6 HOH 93 693 418 HOH HOH B . YA 6 HOH 94 694 239 HOH HOH B . ZA 6 HOH 1 601 267 HOH HOH C . ZA 6 HOH 2 602 29 HOH HOH C . ZA 6 HOH 3 603 232 HOH HOH C . ZA 6 HOH 4 604 23 HOH HOH C . ZA 6 HOH 5 605 340 HOH HOH C . ZA 6 HOH 6 606 40 HOH HOH C . ZA 6 HOH 7 607 160 HOH HOH C . ZA 6 HOH 8 608 9 HOH HOH C . ZA 6 HOH 9 609 142 HOH HOH C . ZA 6 HOH 10 610 67 HOH HOH C . ZA 6 HOH 11 611 194 HOH HOH C . ZA 6 HOH 12 612 192 HOH HOH C . ZA 6 HOH 13 613 69 HOH HOH C . ZA 6 HOH 14 614 91 HOH HOH C . ZA 6 HOH 15 615 165 HOH HOH C . ZA 6 HOH 16 616 164 HOH HOH C . ZA 6 HOH 17 617 279 HOH HOH C . ZA 6 HOH 18 618 56 HOH HOH C . ZA 6 HOH 19 619 74 HOH HOH C . ZA 6 HOH 20 620 10 HOH HOH C . ZA 6 HOH 21 621 108 HOH HOH C . ZA 6 HOH 22 622 219 HOH HOH C . ZA 6 HOH 23 623 349 HOH HOH C . ZA 6 HOH 24 624 285 HOH HOH C . ZA 6 HOH 25 625 389 HOH HOH C . ZA 6 HOH 26 626 265 HOH HOH C . ZA 6 HOH 27 627 3 HOH HOH C . ZA 6 HOH 28 628 264 HOH HOH C . ZA 6 HOH 29 629 197 HOH HOH C . ZA 6 HOH 30 630 44 HOH HOH C . ZA 6 HOH 31 631 136 HOH HOH C . ZA 6 HOH 32 632 88 HOH HOH C . ZA 6 HOH 33 633 175 HOH HOH C . ZA 6 HOH 34 634 362 HOH HOH C . ZA 6 HOH 35 635 195 HOH HOH C . ZA 6 HOH 36 636 31 HOH HOH C . ZA 6 HOH 37 637 256 HOH HOH C . ZA 6 HOH 38 638 26 HOH HOH C . ZA 6 HOH 39 639 319 HOH HOH C . ZA 6 HOH 40 640 8 HOH HOH C . ZA 6 HOH 41 641 54 HOH HOH C . ZA 6 HOH 42 642 188 HOH HOH C . ZA 6 HOH 43 643 101 HOH HOH C . ZA 6 HOH 44 644 89 HOH HOH C . ZA 6 HOH 45 645 210 HOH HOH C . ZA 6 HOH 46 646 94 HOH HOH C . ZA 6 HOH 47 647 146 HOH HOH C . ZA 6 HOH 48 648 110 HOH HOH C . ZA 6 HOH 49 649 144 HOH HOH C . ZA 6 HOH 50 650 99 HOH HOH C . ZA 6 HOH 51 651 261 HOH HOH C . ZA 6 HOH 52 652 206 HOH HOH C . ZA 6 HOH 53 653 53 HOH HOH C . ZA 6 HOH 54 654 428 HOH HOH C . ZA 6 HOH 55 655 288 HOH HOH C . ZA 6 HOH 56 656 135 HOH HOH C . ZA 6 HOH 57 657 145 HOH HOH C . ZA 6 HOH 58 658 306 HOH HOH C . ZA 6 HOH 59 659 185 HOH HOH C . ZA 6 HOH 60 660 350 HOH HOH C . ZA 6 HOH 61 661 124 HOH HOH C . ZA 6 HOH 62 662 235 HOH HOH C . ZA 6 HOH 63 663 411 HOH HOH C . ZA 6 HOH 64 664 183 HOH HOH C . ZA 6 HOH 65 665 367 HOH HOH C . ZA 6 HOH 66 666 355 HOH HOH C . ZA 6 HOH 67 667 415 HOH HOH C . ZA 6 HOH 68 668 282 HOH HOH C . ZA 6 HOH 69 669 202 HOH HOH C . ZA 6 HOH 70 670 138 HOH HOH C . ZA 6 HOH 71 671 406 HOH HOH C . ZA 6 HOH 72 672 21 HOH HOH C . ZA 6 HOH 73 673 106 HOH HOH C . ZA 6 HOH 74 674 148 HOH HOH C . ZA 6 HOH 75 675 302 HOH HOH C . ZA 6 HOH 76 676 209 HOH HOH C . ZA 6 HOH 77 677 58 HOH HOH C . ZA 6 HOH 78 678 303 HOH HOH C . ZA 6 HOH 79 679 287 HOH HOH C . ZA 6 HOH 80 680 139 HOH HOH C . ZA 6 HOH 81 681 378 HOH HOH C . ZA 6 HOH 82 682 317 HOH HOH C . ZA 6 HOH 83 683 296 HOH HOH C . ZA 6 HOH 84 684 179 HOH HOH C . ZA 6 HOH 85 685 414 HOH HOH C . ZA 6 HOH 86 686 246 HOH HOH C . ZA 6 HOH 87 687 379 HOH HOH C . ZA 6 HOH 88 688 416 HOH HOH C . ZA 6 HOH 89 689 212 HOH HOH C . ZA 6 HOH 90 690 223 HOH HOH C . ZA 6 HOH 91 691 313 HOH HOH C . ZA 6 HOH 92 692 240 HOH HOH C . ZA 6 HOH 93 693 412 HOH HOH C . ZA 6 HOH 94 694 373 HOH HOH C . ZA 6 HOH 95 695 365 HOH HOH C . ZA 6 HOH 96 696 326 HOH HOH C . ZA 6 HOH 97 697 205 HOH HOH C . ZA 6 HOH 98 698 55 HOH HOH C . ZA 6 HOH 99 699 301 HOH HOH C . ZA 6 HOH 100 700 220 HOH HOH C . ZA 6 HOH 101 701 427 HOH HOH C . ZA 6 HOH 102 702 270 HOH HOH C . ZA 6 HOH 103 703 413 HOH HOH C . ZA 6 HOH 104 704 310 HOH HOH C . ZA 6 HOH 105 705 294 HOH HOH C . ZA 6 HOH 106 706 403 HOH HOH C . AB 6 HOH 1 601 273 HOH HOH D . AB 6 HOH 2 602 226 HOH HOH D . AB 6 HOH 3 603 155 HOH HOH D . AB 6 HOH 4 604 237 HOH HOH D . AB 6 HOH 5 605 276 HOH HOH D . AB 6 HOH 6 606 13 HOH HOH D . AB 6 HOH 7 607 28 HOH HOH D . AB 6 HOH 8 608 242 HOH HOH D . AB 6 HOH 9 609 15 HOH HOH D . AB 6 HOH 10 610 259 HOH HOH D . AB 6 HOH 11 611 238 HOH HOH D . AB 6 HOH 12 612 114 HOH HOH D . AB 6 HOH 13 613 62 HOH HOH D . AB 6 HOH 14 614 182 HOH HOH D . AB 6 HOH 15 615 180 HOH HOH D . AB 6 HOH 16 616 68 HOH HOH D . AB 6 HOH 17 617 363 HOH HOH D . AB 6 HOH 18 618 35 HOH HOH D . AB 6 HOH 19 619 186 HOH HOH D . AB 6 HOH 20 620 11 HOH HOH D . AB 6 HOH 21 621 24 HOH HOH D . AB 6 HOH 22 622 126 HOH HOH D . AB 6 HOH 23 623 7 HOH HOH D . AB 6 HOH 24 624 97 HOH HOH D . AB 6 HOH 25 625 134 HOH HOH D . AB 6 HOH 26 626 72 HOH HOH D . AB 6 HOH 27 627 87 HOH HOH D . AB 6 HOH 28 628 96 HOH HOH D . AB 6 HOH 29 629 78 HOH HOH D . AB 6 HOH 30 630 334 HOH HOH D . AB 6 HOH 31 631 203 HOH HOH D . AB 6 HOH 32 632 245 HOH HOH D . AB 6 HOH 33 633 204 HOH HOH D . AB 6 HOH 34 634 339 HOH HOH D . AB 6 HOH 35 635 41 HOH HOH D . AB 6 HOH 36 636 5 HOH HOH D . AB 6 HOH 37 637 82 HOH HOH D . AB 6 HOH 38 638 48 HOH HOH D . AB 6 HOH 39 639 312 HOH HOH D . AB 6 HOH 40 640 64 HOH HOH D . AB 6 HOH 41 641 314 HOH HOH D . AB 6 HOH 42 642 150 HOH HOH D . AB 6 HOH 43 643 169 HOH HOH D . AB 6 HOH 44 644 100 HOH HOH D . AB 6 HOH 45 645 17 HOH HOH D . AB 6 HOH 46 646 330 HOH HOH D . AB 6 HOH 47 647 222 HOH HOH D . AB 6 HOH 48 648 2 HOH HOH D . AB 6 HOH 49 649 129 HOH HOH D . AB 6 HOH 50 650 409 HOH HOH D . AB 6 HOH 51 651 420 HOH HOH D . AB 6 HOH 52 652 214 HOH HOH D . AB 6 HOH 53 653 102 HOH HOH D . AB 6 HOH 54 654 121 HOH HOH D . AB 6 HOH 55 655 125 HOH HOH D . AB 6 HOH 56 656 199 HOH HOH D . AB 6 HOH 57 657 1 HOH HOH D . AB 6 HOH 58 658 387 HOH HOH D . AB 6 HOH 59 659 385 HOH HOH D . AB 6 HOH 60 660 151 HOH HOH D . AB 6 HOH 61 661 284 HOH HOH D . AB 6 HOH 62 662 38 HOH HOH D . AB 6 HOH 63 663 47 HOH HOH D . AB 6 HOH 64 664 274 HOH HOH D . AB 6 HOH 65 665 45 HOH HOH D . AB 6 HOH 66 666 341 HOH HOH D . AB 6 HOH 67 667 290 HOH HOH D . AB 6 HOH 68 668 159 HOH HOH D . AB 6 HOH 69 669 193 HOH HOH D . AB 6 HOH 70 670 299 HOH HOH D . AB 6 HOH 71 671 271 HOH HOH D . AB 6 HOH 72 672 149 HOH HOH D . AB 6 HOH 73 673 253 HOH HOH D . AB 6 HOH 74 674 430 HOH HOH D . AB 6 HOH 75 675 77 HOH HOH D . AB 6 HOH 76 676 375 HOH HOH D . AB 6 HOH 77 677 398 HOH HOH D . AB 6 HOH 78 678 292 HOH HOH D . AB 6 HOH 79 679 426 HOH HOH D . AB 6 HOH 80 680 401 HOH HOH D . AB 6 HOH 81 681 370 HOH HOH D . AB 6 HOH 82 682 325 HOH HOH D . AB 6 HOH 83 683 361 HOH HOH D . AB 6 HOH 84 684 213 HOH HOH D . AB 6 HOH 85 685 376 HOH HOH D . AB 6 HOH 86 686 329 HOH HOH D . AB 6 HOH 87 687 286 HOH HOH D . AB 6 HOH 88 688 170 HOH HOH D . AB 6 HOH 89 689 337 HOH HOH D . AB 6 HOH 90 690 335 HOH HOH D . AB 6 HOH 91 691 227 HOH HOH D . # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details tetrameric _pdbx_struct_assembly.oligomeric_count 4 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list ;A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,AA,BA,CA,DA,EA,FA,GA,HA,IA,JA,KA,LA,MA,NA,OA,PA,QA,RA,SA,TA,UA,VA,WA,XA,YA,ZA,AB ; # 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)' 23360 ? 1 MORE 29 ? 1 'SSA (A^2)' 49000 ? # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 O ? A ASP 226 ? A ASP 293 ? 1_555 CA ? E CA . ? A CA 501 ? 1_555 O ? A GLY 230 ? A GLY 297 ? 1_555 82.9 ? 2 O ? A ASP 226 ? A ASP 293 ? 1_555 CA ? E CA . ? A CA 501 ? 1_555 OD2 ? A ASP 257 ? A ASP 324 ? 1_555 82.6 ? 3 O ? A GLY 230 ? A GLY 297 ? 1_555 CA ? E CA . ? A CA 501 ? 1_555 OD2 ? A ASP 257 ? A ASP 324 ? 1_555 94.4 ? 4 O ? A ASP 226 ? A ASP 293 ? 1_555 CA ? E CA . ? A CA 501 ? 1_555 O ? A GLY 278 ? A GLY 345 ? 1_555 87.1 ? 5 O ? A GLY 230 ? A GLY 297 ? 1_555 CA ? E CA . ? A CA 501 ? 1_555 O ? A GLY 278 ? A GLY 345 ? 1_555 101.7 ? 6 OD2 ? A ASP 257 ? A ASP 324 ? 1_555 CA ? E CA . ? A CA 501 ? 1_555 O ? A GLY 278 ? A GLY 345 ? 1_555 159.7 ? 7 O ? A ASP 226 ? A ASP 293 ? 1_555 CA ? E CA . ? A CA 501 ? 1_555 O ? XA HOH . ? A HOH 645 ? 1_555 165.6 ? 8 O ? A GLY 230 ? A GLY 297 ? 1_555 CA ? E CA . ? A CA 501 ? 1_555 O ? XA HOH . ? A HOH 645 ? 1_555 111.4 ? 9 OD2 ? A ASP 257 ? A ASP 324 ? 1_555 CA ? E CA . ? A CA 501 ? 1_555 O ? XA HOH . ? A HOH 645 ? 1_555 94.4 ? 10 O ? A GLY 278 ? A GLY 345 ? 1_555 CA ? E CA . ? A CA 501 ? 1_555 O ? XA HOH . ? A HOH 645 ? 1_555 91.3 ? 11 O ? B ASP 226 ? B ASP 293 ? 1_555 CA ? Q CA . ? B CA 501 ? 1_555 O ? B GLY 230 ? B GLY 297 ? 1_555 83.8 ? 12 O ? B ASP 226 ? B ASP 293 ? 1_555 CA ? Q CA . ? B CA 501 ? 1_555 OD2 ? B ASP 257 ? B ASP 324 ? 1_555 86.7 ? 13 O ? B GLY 230 ? B GLY 297 ? 1_555 CA ? Q CA . ? B CA 501 ? 1_555 OD2 ? B ASP 257 ? B ASP 324 ? 1_555 95.9 ? 14 O ? B ASP 226 ? B ASP 293 ? 1_555 CA ? Q CA . ? B CA 501 ? 1_555 O ? B GLY 278 ? B GLY 345 ? 1_555 87.7 ? 15 O ? B GLY 230 ? B GLY 297 ? 1_555 CA ? Q CA . ? B CA 501 ? 1_555 O ? B GLY 278 ? B GLY 345 ? 1_555 96.7 ? 16 OD2 ? B ASP 257 ? B ASP 324 ? 1_555 CA ? Q CA . ? B CA 501 ? 1_555 O ? B GLY 278 ? B GLY 345 ? 1_555 165.5 ? 17 O ? C ASP 226 ? C ASP 293 ? 1_555 CA ? BA CA . ? C CA 501 ? 1_555 O ? C GLY 230 ? C GLY 297 ? 1_555 89.2 ? 18 O ? C ASP 226 ? C ASP 293 ? 1_555 CA ? BA CA . ? C CA 501 ? 1_555 OD2 ? C ASP 257 ? C ASP 324 ? 1_555 85.9 ? 19 O ? C GLY 230 ? C GLY 297 ? 1_555 CA ? BA CA . ? C CA 501 ? 1_555 OD2 ? C ASP 257 ? C ASP 324 ? 1_555 99.2 ? 20 O ? C ASP 226 ? C ASP 293 ? 1_555 CA ? BA CA . ? C CA 501 ? 1_555 O ? C GLY 278 ? C GLY 345 ? 1_555 85.8 ? 21 O ? C GLY 230 ? C GLY 297 ? 1_555 CA ? BA CA . ? C CA 501 ? 1_555 O ? C GLY 278 ? C GLY 345 ? 1_555 102.3 ? 22 OD2 ? C ASP 257 ? C ASP 324 ? 1_555 CA ? BA CA . ? C CA 501 ? 1_555 O ? C GLY 278 ? C GLY 345 ? 1_555 156.8 ? 23 O ? D ASP 226 ? D ASP 293 ? 1_555 CA ? MA CA . ? D CA 501 ? 1_555 O ? D GLY 230 ? D GLY 297 ? 1_555 92.3 ? 24 O ? D ASP 226 ? D ASP 293 ? 1_555 CA ? MA CA . ? D CA 501 ? 1_555 OD2 ? D ASP 257 ? D ASP 324 ? 1_555 91.5 ? 25 O ? D GLY 230 ? D GLY 297 ? 1_555 CA ? MA CA . ? D CA 501 ? 1_555 OD2 ? D ASP 257 ? D ASP 324 ? 1_555 100.8 ? 26 O ? D ASP 226 ? D ASP 293 ? 1_555 CA ? MA CA . ? D CA 501 ? 1_555 O ? D GLY 278 ? D GLY 345 ? 1_555 86.6 ? 27 O ? D GLY 230 ? D GLY 297 ? 1_555 CA ? MA CA . ? D CA 501 ? 1_555 O ? D GLY 278 ? D GLY 345 ? 1_555 101.3 ? 28 OD2 ? D ASP 257 ? D ASP 324 ? 1_555 CA ? MA CA . ? D CA 501 ? 1_555 O ? D GLY 278 ? D GLY 345 ? 1_555 157.8 ? 29 O ? D ASP 226 ? D ASP 293 ? 1_555 CA ? MA CA . ? D CA 501 ? 1_555 O ? AB HOH . ? D HOH 620 ? 1_555 161.0 ? 30 O ? D GLY 230 ? D GLY 297 ? 1_555 CA ? MA CA . ? D CA 501 ? 1_555 O ? AB HOH . ? D HOH 620 ? 1_555 104.1 ? 31 OD2 ? D ASP 257 ? D ASP 324 ? 1_555 CA ? MA CA . ? D CA 501 ? 1_555 O ? AB HOH . ? D HOH 620 ? 1_555 94.8 ? 32 O ? D GLY 278 ? D GLY 345 ? 1_555 CA ? MA CA . ? D CA 501 ? 1_555 O ? AB HOH . ? D HOH 620 ? 1_555 80.9 ? # 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 2016-04-13 2 'Structure model' 1 1 2016-04-20 3 'Structure model' 1 2 2016-06-08 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Database references' 2 3 'Structure model' 'Database references' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[3][3] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] 'X-RAY DIFFRACTION' 1 ? refined -8.4292 35.9217 -38.3695 0.0512 0.0758 0.0013 -0.0054 -0.0041 -0.0039 0.1666 0.2208 0.1750 0.1451 0.0118 0.0733 0.0485 -0.0400 -0.0084 -0.0150 -0.0023 -0.0070 0.0433 0.0069 -0.0239 'X-RAY DIFFRACTION' 2 ? refined -6.0886 39.3925 -94.0923 0.0279 0.0974 0.0016 0.0004 -0.0017 -0.0038 0.2199 0.1969 0.1666 0.1484 0.0341 0.0117 -0.0355 0.0421 -0.0066 0.0515 0.0015 -0.0087 -0.0026 -0.0256 -0.0127 'X-RAY DIFFRACTION' 3 ? refined 11.4756 57.6724 -64.1446 0.0375 0.0730 0.0192 -0.0023 -0.0038 -0.0179 0.0354 0.2093 0.2587 0.0789 0.0281 0.0244 -0.0007 0.0103 -0.0096 0.0001 -0.0123 -0.0145 -0.0036 -0.0358 0.0170 'X-RAY DIFFRACTION' 4 ? refined -25.5914 17.3362 -68.2821 0.0306 0.0813 0.0096 -0.0048 -0.0158 -0.0052 0.1463 0.0760 0.3736 0.0979 0.0499 -0.0002 0.0157 -0.0130 -0.0027 0.0063 -0.0014 0.0023 0.0071 0.0296 -0.0184 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.selection_details _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection 'X-RAY DIFFRACTION' 1 1 A 82 A 469 ? ? ? ? ? ? 'X-RAY DIFFRACTION' 2 1 A 501 A 512 ? ? ? ? ? ? 'X-RAY DIFFRACTION' 3 2 B 82 B 469 ? ? ? ? ? ? 'X-RAY DIFFRACTION' 4 2 B 501 B 511 ? ? ? ? ? ? 'X-RAY DIFFRACTION' 5 3 C 82 C 469 ? ? ? ? ? ? 'X-RAY DIFFRACTION' 6 3 C 501 C 511 ? ? ? ? ? ? 'X-RAY DIFFRACTION' 7 4 D 82 D 469 ? ? ? ? ? ? 'X-RAY DIFFRACTION' 8 4 D 501 D 511 ? ? ? ? ? ? # loop_ _software.citation_id _software.classification _software.compiler_name _software.compiler_version _software.contact_author _software.contact_author_email _software.date _software.description _software.dependencies _software.hardware _software.language _software.location _software.mods _software.name _software.os _software.os_version _software.type _software.version _software.pdbx_ordinal ? refinement ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0049 1 ? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 2 ? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? HKL-2000 ? ? ? . 3 ? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? . 4 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 OG1 D THR 148 ? ? O D TRP 438 ? ? 1.83 2 1 O B SER 105 ? ? O B LEU 108 ? ? 1.93 # _pdbx_validate_rmsd_bond.id 1 _pdbx_validate_rmsd_bond.PDB_model_num 1 _pdbx_validate_rmsd_bond.auth_atom_id_1 CB _pdbx_validate_rmsd_bond.auth_asym_id_1 A _pdbx_validate_rmsd_bond.auth_comp_id_1 SER _pdbx_validate_rmsd_bond.auth_seq_id_1 269 _pdbx_validate_rmsd_bond.PDB_ins_code_1 ? _pdbx_validate_rmsd_bond.label_alt_id_1 ? _pdbx_validate_rmsd_bond.auth_atom_id_2 OG _pdbx_validate_rmsd_bond.auth_asym_id_2 A _pdbx_validate_rmsd_bond.auth_comp_id_2 SER _pdbx_validate_rmsd_bond.auth_seq_id_2 269 _pdbx_validate_rmsd_bond.PDB_ins_code_2 ? _pdbx_validate_rmsd_bond.label_alt_id_2 ? _pdbx_validate_rmsd_bond.bond_value 1.336 _pdbx_validate_rmsd_bond.bond_target_value 1.418 _pdbx_validate_rmsd_bond.bond_deviation -0.082 _pdbx_validate_rmsd_bond.bond_standard_deviation 0.013 _pdbx_validate_rmsd_bond.linker_flag N # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB A ARG 85 ? ? CA A ARG 85 ? ? C A ARG 85 ? ? 98.15 110.40 -12.25 2.00 N 2 1 CB A ILE 215 ? ? CA A ILE 215 ? ? C A ILE 215 ? ? 98.31 111.60 -13.29 2.00 N 3 1 CB A VAL 360 ? ? CA A VAL 360 ? ? C A VAL 360 ? ? 95.05 111.40 -16.35 1.90 N 4 1 NE A ARG 428 ? ? CZ A ARG 428 ? ? NH1 A ARG 428 ? ? 123.41 120.30 3.11 0.50 N 5 1 N B LEU 108 ? ? CA B LEU 108 ? ? C B LEU 108 ? ? 86.66 111.00 -24.34 2.70 N 6 1 N B SER 109 ? ? CA B SER 109 ? ? CB B SER 109 ? ? 130.53 110.50 20.03 1.50 N 7 1 N B HIS 274 ? ? CA B HIS 274 ? ? C B HIS 274 ? ? 94.23 111.00 -16.77 2.70 N 8 1 N B ASN 294 ? ? CA B ASN 294 ? ? CB B ASN 294 ? ? 99.30 110.60 -11.30 1.80 N 9 1 CB B VAL 360 ? ? CA B VAL 360 ? ? C B VAL 360 ? ? 94.83 111.40 -16.57 1.90 N 10 1 NE B ARG 435 ? ? CZ B ARG 435 ? ? NH1 B ARG 435 ? ? 123.53 120.30 3.23 0.50 N 11 1 NE C ARG 85 ? ? CZ C ARG 85 ? ? NH2 C ARG 85 ? ? 117.28 120.30 -3.02 0.50 N 12 1 CA C LEU 140 ? ? CB C LEU 140 ? ? CG C LEU 140 ? ? 129.18 115.30 13.88 2.30 N 13 1 NE C ARG 224 ? ? CZ C ARG 224 ? ? NH2 C ARG 224 ? ? 123.51 120.30 3.21 0.50 N 14 1 N C HIS 274 ? ? CA C HIS 274 ? ? C C HIS 274 ? ? 93.29 111.00 -17.71 2.70 N 15 1 N C ASN 294 ? ? CA C ASN 294 ? ? CB C ASN 294 ? ? 87.78 110.60 -22.82 1.80 N 16 1 CB C VAL 360 ? ? CA C VAL 360 ? ? C C VAL 360 ? ? 96.24 111.40 -15.16 1.90 N 17 1 NE C ARG 428 ? ? CZ C ARG 428 ? ? NH1 C ARG 428 ? ? 123.38 120.30 3.08 0.50 N 18 1 NE C ARG 435 ? ? CZ C ARG 435 ? ? NH1 C ARG 435 ? ? 123.83 120.30 3.53 0.50 N 19 1 NE D ARG 85 ? ? CZ D ARG 85 ? ? NH2 D ARG 85 ? ? 117.21 120.30 -3.09 0.50 N 20 1 NE D ARG 435 ? ? CZ D ARG 435 ? ? NH1 D ARG 435 ? ? 123.75 120.30 3.45 0.50 N 21 1 CB D TRP 438 ? ? CA D TRP 438 ? ? C D TRP 438 ? ? 98.11 110.40 -12.29 2.00 N 22 1 N D TRP 438 ? ? CA D TRP 438 ? ? C D TRP 438 ? ? 139.25 111.00 28.25 2.70 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 ASN A 142 ? ? -171.85 131.15 2 1 ASN A 200 ? ? -160.32 59.53 3 1 ASN A 221 ? ? -151.53 71.27 4 1 ILE A 222 ? ? 66.96 77.57 5 1 THR A 225 ? ? -133.42 -155.44 6 1 ARG A 249 ? ? 68.77 71.30 7 1 TRP A 295 ? ? -135.86 -50.06 8 1 SER A 315 ? ? -165.75 -154.07 9 1 CYS A 337 ? ? 76.31 -14.59 10 1 SER A 404 ? ? -117.01 -134.86 11 1 SER B 109 ? ? 123.56 -45.55 12 1 ASN B 200 ? ? -157.18 57.16 13 1 ASN B 221 ? ? -152.43 68.09 14 1 ILE B 222 ? ? 69.05 74.77 15 1 THR B 225 ? ? -132.98 -154.40 16 1 ALA B 246 ? ? -59.59 90.41 17 1 SER B 247 ? ? 95.99 47.68 18 1 CYS B 291 ? ? -128.97 -169.23 19 1 TRP B 295 ? ? -134.12 -51.58 20 1 SER B 315 ? ? -166.20 -155.85 21 1 CYS B 337 ? ? 75.22 -14.77 22 1 SER B 404 ? ? -115.33 -133.16 23 1 PHE C 100 ? ? -124.93 -51.93 24 1 ASN C 200 ? ? -151.24 55.41 25 1 ASN C 221 ? ? -97.73 -149.57 26 1 THR C 225 ? ? -129.58 -156.22 27 1 SER C 247 ? ? -70.82 26.31 28 1 TRP C 295 ? ? -136.42 -48.32 29 1 SER C 315 ? ? -165.45 -154.64 30 1 CYS C 337 ? ? 74.42 -14.46 31 1 SER C 404 ? ? -113.17 -134.50 32 1 ASN D 200 ? ? -152.20 55.60 33 1 ASN D 221 ? ? -97.41 -149.95 34 1 THR D 225 ? ? -132.05 -154.38 35 1 SER D 247 ? ? -64.07 14.31 36 1 CYS D 291 ? ? -124.69 -168.54 37 1 TRP D 295 ? ? -138.16 -50.51 38 1 SER D 315 ? ? -164.14 -156.80 39 1 CYS D 337 ? ? 74.37 -13.28 40 1 SER D 404 ? ? -115.21 -136.41 41 1 THR D 439 ? ? 48.27 108.04 # loop_ _pdbx_validate_chiral.id _pdbx_validate_chiral.PDB_model_num _pdbx_validate_chiral.auth_atom_id _pdbx_validate_chiral.label_alt_id _pdbx_validate_chiral.auth_asym_id _pdbx_validate_chiral.auth_comp_id _pdbx_validate_chiral.auth_seq_id _pdbx_validate_chiral.PDB_ins_code _pdbx_validate_chiral.details _pdbx_validate_chiral.omega 1 1 C1 ? A NAG 505 ? 'WRONG HAND' . 2 1 C1 ? A MAN 511 ? 'WRONG HAND' . 3 1 C1 ? B MAN 510 ? 'WRONG HAND' . 4 1 C1 ? C MAN 510 ? 'WRONG HAND' . # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A SER 68 ? A SER 1 2 1 Y 1 A LEU 69 ? A LEU 2 3 1 Y 1 A VAL 70 ? A VAL 3 4 1 Y 1 A PRO 71 ? A PRO 4 5 1 Y 1 A ARG 72 ? A ARG 5 6 1 Y 1 A GLY 73 ? A GLY 6 7 1 Y 1 A SER 74 ? A SER 7 8 1 Y 1 A GLY 75 ? A GLY 8 9 1 Y 1 A ASP 76 ? A ASP 9 10 1 Y 1 A SER 77 ? A SER 10 11 1 Y 1 A GLY 78 ? A GLY 11 12 1 Y 1 A SER 79 ? A SER 12 13 1 Y 1 A PRO 80 ? A PRO 13 14 1 Y 1 A GLY 81 ? A GLY 14 15 1 Y 1 B SER 68 ? B SER 1 16 1 Y 1 B LEU 69 ? B LEU 2 17 1 Y 1 B VAL 70 ? B VAL 3 18 1 Y 1 B PRO 71 ? B PRO 4 19 1 Y 1 B ARG 72 ? B ARG 5 20 1 Y 1 B GLY 73 ? B GLY 6 21 1 Y 1 B SER 74 ? B SER 7 22 1 Y 1 B GLY 75 ? B GLY 8 23 1 Y 1 B ASP 76 ? B ASP 9 24 1 Y 1 B SER 77 ? B SER 10 25 1 Y 1 B GLY 78 ? B GLY 11 26 1 Y 1 B SER 79 ? B SER 12 27 1 Y 1 B PRO 80 ? B PRO 13 28 1 Y 1 B GLY 81 ? B GLY 14 29 1 Y 1 C SER 68 ? C SER 1 30 1 Y 1 C LEU 69 ? C LEU 2 31 1 Y 1 C VAL 70 ? C VAL 3 32 1 Y 1 C PRO 71 ? C PRO 4 33 1 Y 1 C ARG 72 ? C ARG 5 34 1 Y 1 C GLY 73 ? C GLY 6 35 1 Y 1 C SER 74 ? C SER 7 36 1 Y 1 C GLY 75 ? C GLY 8 37 1 Y 1 C ASP 76 ? C ASP 9 38 1 Y 1 C SER 77 ? C SER 10 39 1 Y 1 C GLY 78 ? C GLY 11 40 1 Y 1 C SER 79 ? C SER 12 41 1 Y 1 C PRO 80 ? C PRO 13 42 1 Y 1 C GLY 81 ? C GLY 14 43 1 Y 1 D SER 68 ? D SER 1 44 1 Y 1 D LEU 69 ? D LEU 2 45 1 Y 1 D VAL 70 ? D VAL 3 46 1 Y 1 D PRO 71 ? D PRO 4 47 1 Y 1 D ARG 72 ? D ARG 5 48 1 Y 1 D GLY 73 ? D GLY 6 49 1 Y 1 D SER 74 ? D SER 7 50 1 Y 1 D GLY 75 ? D GLY 8 51 1 Y 1 D ASP 76 ? D ASP 9 52 1 Y 1 D SER 77 ? D SER 10 53 1 Y 1 D GLY 78 ? D GLY 11 54 1 Y 1 D SER 79 ? D SER 12 55 1 Y 1 D PRO 80 ? D PRO 13 56 1 Y 1 D GLY 81 ? D GLY 14 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'CALCIUM ION' CA 3 N-ACETYL-D-GLUCOSAMINE NAG 4 BETA-D-MANNOSE BMA 5 ALPHA-D-MANNOSE MAN 6 water HOH #