data_3N41 # _entry.id 3N41 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3N41 RCSB RCSB059352 WWPDB D_1000059352 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 2ALA 'Crystal structure of the Semliki Forest Virus envelope protein E1 in its monomeric conformation.' unspecified PDB 1RER 'Crystal structure of the homotrimer of fusion glycoprotein E1 from Semliki Forest Virus.' unspecified EMDB EMD-1121 'Mapping the structure and function of the E1 and E2 glycoproteins in alphaviruses (Sindbis virus).' unspecified EMDB EMD-1015 'Cryo-electron microscopy reveals the functional organization of an enveloped virus, Semliki Forest virus.' unspecified PDB 3MUU 'Crystal structure of the Sindbis virus E2-E1 heterodimer at low pH.' unspecified PDB 3MUW 'Pseudo-atomic structure of the E2-E1 protein shell in Sindbis virus.' unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3N41 _pdbx_database_status.recvd_initial_deposition_date 2010-05-21 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Voss, J.' 1 'Vaney, M.C.' 2 'Duquerroy, S.' 3 'Rey, F.A.' 4 # loop_ _citation.id _citation.title _citation.journal_abbrev _citation.journal_volume _citation.page_first _citation.page_last _citation.year _citation.journal_id_ASTM _citation.country _citation.journal_id_ISSN _citation.journal_id_CSD _citation.book_publisher _citation.pdbx_database_id_PubMed _citation.pdbx_database_id_DOI primary 'Glycoprotein organization of Chikungunya virus particles revealed by X-ray crystallography.' Nature 468 709 712 2010 NATUAS UK 0028-0836 0006 ? 21124458 10.1038/nature09555 1 'Structure and interactions at the viral surface of the envelope protein E1 of Semliki Forest virus.' Structure 14 75 86 2006 STRUE6 UK 0969-2126 2005 ? 16407067 10.1016/j.str.2005.09.014 2 'Conformational change and protein-protein interactions of the fusion protein of Semliki Forest virus.' Nature 427 320 325 2004 NATUAS UK 0028-0836 0006 ? 14737160 10.1038/nature02239 3 'The Fusion glycoprotein shell of Semliki Forest virus: an icosahedral assembly primed for fusogenic activation at endosomal pH.' 'Cell(Cambridge,Mass.)' 105 137 148 2001 CELLB5 US 0092-8674 0998 ? 11301009 ? 4 'Structural Changes of Envelope Proteins During Alphavirus Fusion.' 'To be Published' ? ? ? ? ? ? ? 0353 ? ? ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Voss, J.E.' 1 primary 'Vaney, M.C.' 2 primary 'Duquerroy, S.' 3 primary 'Vonrhein, C.' 4 primary 'Girard-Blanc, C.' 5 primary 'Crublet, E.' 6 primary 'Thompson, A.' 7 primary 'Bricogne, G.' 8 primary 'Rey, F.A.' 9 1 'Roussel, A.' 10 1 'Lescar, J.' 11 1 'Vaney, M.C.' 12 1 'Wengler, G.' 13 1 'Rey, F.A.' 14 2 'Gibbons, D.L.' 15 2 'Vaney, M.C.' 16 2 'Roussel, A.' 17 2 'Vigouroux, A.' 18 2 'Reilly, B.' 19 2 'Lepault, J.' 20 2 'Kielian, M.' 21 2 'Rey, F.A.' 22 3 'Lescar, J.' 23 3 'Roussel, A.' 24 3 'Wien, M.W.' 25 3 'Navaza, J.' 26 3 'Fuller, S.D.' 27 3 'Wengler, G.' 28 3 'Rey, F.A.' 29 4 'Li, L.' 30 4 'Jose, J.' 31 4 'Xiang, Y.' 32 4 'Kuhn, R.J.' 33 4 'Rossmann, M.G.' 34 # _cell.entry_id 3N41 _cell.length_a 50.240 _cell.length_b 99.610 _cell.length_c 107.100 _cell.angle_alpha 90.00 _cell.angle_beta 102.90 _cell.angle_gamma 90.00 _cell.Z_PDB 2 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 3N41 _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 _symmetry.space_group_name_Hall ? # 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 'E3 envelope glycoprotein' 7470.737 1 ? ? 'polyprotein fragment residues 266-320' ? 2 polymer man 'E2 envelope glycoprotein' 40600.785 1 ? ? 'polyprotein fragment residues 330-667' ? 3 polymer man 'E1 envelope glycoprotein' 50356.223 1 ? ? 'polyprotein fragment residues 810-1190' ? 4 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 5 non-polymer man '2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE' 221.208 1 ? ? ? ? 6 water nat water 18.015 23 ? ? ? ? # loop_ _entity_poly.entity_id _entity_poly.type _entity_poly.nstd_linkage _entity_poly.nstd_monomer _entity_poly.pdbx_seq_one_letter_code _entity_poly.pdbx_seq_one_letter_code_can _entity_poly.pdbx_strand_id _entity_poly.pdbx_target_identifier 1 'polypeptide(L)' no no MSLAIPVMCLLANTTFPCSQPPCTPCCYEKEPEETLRMLEDNVMRPGYYQLLQASLTCSPHRQRR MSLAIPVMCLLANTTFPCSQPPCTPCCYEKEPEETLRMLEDNVMRPGYYQLLQASLTCSPHRQRR A ? 2 'polypeptide(L)' no no ;STKDNFNVYKATRPYLAHCPDCGEGHSCHSPVALERIRNEATDGTLKIQVSLQIGIKTDDSHDWTKLRYMDNHMPADAER AGLFVRTSAPCTITGTMGHFILARCPKGETLTVGFTDSRKISHSCTHPFHHDPPVIGREKFHSRPQHGKELPCSTYVQST AATTEEIEVHMPPDTPDRTLMSQQSGNVKITVNGQTVRYKCNCGGSNEGLTTTDKVINNCKVDQCHAAVTNHKKWQYNSP LVPRNAELGDRKGKIHIPFPLANVTCRVPKARNPTVTYGKNQVIMLLYPDHPTLLSYRNMGEEPNYQEEWVMHKKEVVLT VPTEGLEVTWGNNEPYKYWPQLSTNGTAHGHPHEIILYYY ; ;STKDNFNVYKATRPYLAHCPDCGEGHSCHSPVALERIRNEATDGTLKIQVSLQIGIKTDDSHDWTKLRYMDNHMPADAER AGLFVRTSAPCTITGTMGHFILARCPKGETLTVGFTDSRKISHSCTHPFHHDPPVIGREKFHSRPQHGKELPCSTYVQST AATTEEIEVHMPPDTPDRTLMSQQSGNVKITVNGQTVRYKCNCGGSNEGLTTTDKVINNCKVDQCHAAVTNHKKWQYNSP LVPRNAELGDRKGKIHIPFPLANVTCRVPKARNPTVTYGKNQVIMLLYPDHPTLLSYRNMGEEPNYQEEWVMHKKEVVLT VPTEGLEVTWGNNEPYKYWPQLSTNGTAHGHPHEIILYYY ; B ? 3 'polypeptide(L)' no no ;ELYGGGGSGGGGSGGGGSGGGGYEHVTVIPNTVGVPYKTLVNRPGYSPMVLEMELLSVTLEPTLSLDYITCEYKTVIPSP YVKCCGTAECKDKNLPDYSCKVFTGVYPFMWGGAYCFCDAENTQLSEAHVEKSESCKTEFASAYRAHTASASAKLRVLYQ GNNITVTAYANGDHAVTVKDAKFIVGPMSSAWTPFDNKIVVYKGDVYNMDYPPFGAGRPGQFGDIQSRTPESKDVYANTQ LVLQRPAAGTVHVPYSQAPSGFKYWLKERGASLQHTAPFGCQIATNPVRAVNCAVGNMPISIDIPEAAFTRVVDAPSLTD MSCEVPACTHSSDFGGVAIIKYAASKKGKCAVHSMTNAVTIREAEIEVEGNSQLQISFSTALASAEFRVQVCSTQVHCAA ECHPPKDHIVNYPASHTTLGVQDISATAMSWVQKGPFEDDDDKAGWSHPQFEKGGGSGGGSGGGSWSHPQFEK ; ;ELYGGGGSGGGGSGGGGSGGGGYEHVTVIPNTVGVPYKTLVNRPGYSPMVLEMELLSVTLEPTLSLDYITCEYKTVIPSP YVKCCGTAECKDKNLPDYSCKVFTGVYPFMWGGAYCFCDAENTQLSEAHVEKSESCKTEFASAYRAHTASASAKLRVLYQ GNNITVTAYANGDHAVTVKDAKFIVGPMSSAWTPFDNKIVVYKGDVYNMDYPPFGAGRPGQFGDIQSRTPESKDVYANTQ LVLQRPAAGTVHVPYSQAPSGFKYWLKERGASLQHTAPFGCQIATNPVRAVNCAVGNMPISIDIPEAAFTRVVDAPSLTD MSCEVPACTHSSDFGGVAIIKYAASKKGKCAVHSMTNAVTIREAEIEVEGNSQLQISFSTALASAEFRVQVCSTQVHCAA ECHPPKDHIVNYPASHTTLGVQDISATAMSWVQKGPFEDDDDKAGWSHPQFEKGGGSGGGSGGGSWSHPQFEK ; F ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 MET n 1 2 SER n 1 3 LEU n 1 4 ALA n 1 5 ILE n 1 6 PRO n 1 7 VAL n 1 8 MET n 1 9 CYS n 1 10 LEU n 1 11 LEU n 1 12 ALA n 1 13 ASN n 1 14 THR n 1 15 THR n 1 16 PHE n 1 17 PRO n 1 18 CYS n 1 19 SER n 1 20 GLN n 1 21 PRO n 1 22 PRO n 1 23 CYS n 1 24 THR n 1 25 PRO n 1 26 CYS n 1 27 CYS n 1 28 TYR n 1 29 GLU n 1 30 LYS n 1 31 GLU n 1 32 PRO n 1 33 GLU n 1 34 GLU n 1 35 THR n 1 36 LEU n 1 37 ARG n 1 38 MET n 1 39 LEU n 1 40 GLU n 1 41 ASP n 1 42 ASN n 1 43 VAL n 1 44 MET n 1 45 ARG n 1 46 PRO n 1 47 GLY n 1 48 TYR n 1 49 TYR n 1 50 GLN n 1 51 LEU n 1 52 LEU n 1 53 GLN n 1 54 ALA n 1 55 SER n 1 56 LEU n 1 57 THR n 1 58 CYS n 1 59 SER n 1 60 PRO n 1 61 HIS n 1 62 ARG n 1 63 GLN n 1 64 ARG n 1 65 ARG n 2 1 SER n 2 2 THR n 2 3 LYS n 2 4 ASP n 2 5 ASN n 2 6 PHE n 2 7 ASN n 2 8 VAL n 2 9 TYR n 2 10 LYS n 2 11 ALA n 2 12 THR n 2 13 ARG n 2 14 PRO n 2 15 TYR n 2 16 LEU n 2 17 ALA n 2 18 HIS n 2 19 CYS n 2 20 PRO n 2 21 ASP n 2 22 CYS n 2 23 GLY n 2 24 GLU n 2 25 GLY n 2 26 HIS n 2 27 SER n 2 28 CYS n 2 29 HIS n 2 30 SER n 2 31 PRO n 2 32 VAL n 2 33 ALA n 2 34 LEU n 2 35 GLU n 2 36 ARG n 2 37 ILE n 2 38 ARG n 2 39 ASN n 2 40 GLU n 2 41 ALA n 2 42 THR n 2 43 ASP n 2 44 GLY n 2 45 THR n 2 46 LEU n 2 47 LYS n 2 48 ILE n 2 49 GLN n 2 50 VAL n 2 51 SER n 2 52 LEU n 2 53 GLN n 2 54 ILE n 2 55 GLY n 2 56 ILE n 2 57 LYS n 2 58 THR n 2 59 ASP n 2 60 ASP n 2 61 SER n 2 62 HIS n 2 63 ASP n 2 64 TRP n 2 65 THR n 2 66 LYS n 2 67 LEU n 2 68 ARG n 2 69 TYR n 2 70 MET n 2 71 ASP n 2 72 ASN n 2 73 HIS n 2 74 MET n 2 75 PRO n 2 76 ALA n 2 77 ASP n 2 78 ALA n 2 79 GLU n 2 80 ARG n 2 81 ALA n 2 82 GLY n 2 83 LEU n 2 84 PHE n 2 85 VAL n 2 86 ARG n 2 87 THR n 2 88 SER n 2 89 ALA n 2 90 PRO n 2 91 CYS n 2 92 THR n 2 93 ILE n 2 94 THR n 2 95 GLY n 2 96 THR n 2 97 MET n 2 98 GLY n 2 99 HIS n 2 100 PHE n 2 101 ILE n 2 102 LEU n 2 103 ALA n 2 104 ARG n 2 105 CYS n 2 106 PRO n 2 107 LYS n 2 108 GLY n 2 109 GLU n 2 110 THR n 2 111 LEU n 2 112 THR n 2 113 VAL n 2 114 GLY n 2 115 PHE n 2 116 THR n 2 117 ASP n 2 118 SER n 2 119 ARG n 2 120 LYS n 2 121 ILE n 2 122 SER n 2 123 HIS n 2 124 SER n 2 125 CYS n 2 126 THR n 2 127 HIS n 2 128 PRO n 2 129 PHE n 2 130 HIS n 2 131 HIS n 2 132 ASP n 2 133 PRO n 2 134 PRO n 2 135 VAL n 2 136 ILE n 2 137 GLY n 2 138 ARG n 2 139 GLU n 2 140 LYS n 2 141 PHE n 2 142 HIS n 2 143 SER n 2 144 ARG n 2 145 PRO n 2 146 GLN n 2 147 HIS n 2 148 GLY n 2 149 LYS n 2 150 GLU n 2 151 LEU n 2 152 PRO n 2 153 CYS n 2 154 SER n 2 155 THR n 2 156 TYR n 2 157 VAL n 2 158 GLN n 2 159 SER n 2 160 THR n 2 161 ALA n 2 162 ALA n 2 163 THR n 2 164 THR n 2 165 GLU n 2 166 GLU n 2 167 ILE n 2 168 GLU n 2 169 VAL n 2 170 HIS n 2 171 MET n 2 172 PRO n 2 173 PRO n 2 174 ASP n 2 175 THR n 2 176 PRO n 2 177 ASP n 2 178 ARG n 2 179 THR n 2 180 LEU n 2 181 MET n 2 182 SER n 2 183 GLN n 2 184 GLN n 2 185 SER n 2 186 GLY n 2 187 ASN n 2 188 VAL n 2 189 LYS n 2 190 ILE n 2 191 THR n 2 192 VAL n 2 193 ASN n 2 194 GLY n 2 195 GLN n 2 196 THR n 2 197 VAL n 2 198 ARG n 2 199 TYR n 2 200 LYS n 2 201 CYS n 2 202 ASN n 2 203 CYS n 2 204 GLY n 2 205 GLY n 2 206 SER n 2 207 ASN n 2 208 GLU n 2 209 GLY n 2 210 LEU n 2 211 THR n 2 212 THR n 2 213 THR n 2 214 ASP n 2 215 LYS n 2 216 VAL n 2 217 ILE n 2 218 ASN n 2 219 ASN n 2 220 CYS n 2 221 LYS n 2 222 VAL n 2 223 ASP n 2 224 GLN n 2 225 CYS n 2 226 HIS n 2 227 ALA n 2 228 ALA n 2 229 VAL n 2 230 THR n 2 231 ASN n 2 232 HIS n 2 233 LYS n 2 234 LYS n 2 235 TRP n 2 236 GLN n 2 237 TYR n 2 238 ASN n 2 239 SER n 2 240 PRO n 2 241 LEU n 2 242 VAL n 2 243 PRO n 2 244 ARG n 2 245 ASN n 2 246 ALA n 2 247 GLU n 2 248 LEU n 2 249 GLY n 2 250 ASP n 2 251 ARG n 2 252 LYS n 2 253 GLY n 2 254 LYS n 2 255 ILE n 2 256 HIS n 2 257 ILE n 2 258 PRO n 2 259 PHE n 2 260 PRO n 2 261 LEU n 2 262 ALA n 2 263 ASN n 2 264 VAL n 2 265 THR n 2 266 CYS n 2 267 ARG n 2 268 VAL n 2 269 PRO n 2 270 LYS n 2 271 ALA n 2 272 ARG n 2 273 ASN n 2 274 PRO n 2 275 THR n 2 276 VAL n 2 277 THR n 2 278 TYR n 2 279 GLY n 2 280 LYS n 2 281 ASN n 2 282 GLN n 2 283 VAL n 2 284 ILE n 2 285 MET n 2 286 LEU n 2 287 LEU n 2 288 TYR n 2 289 PRO n 2 290 ASP n 2 291 HIS n 2 292 PRO n 2 293 THR n 2 294 LEU n 2 295 LEU n 2 296 SER n 2 297 TYR n 2 298 ARG n 2 299 ASN n 2 300 MET n 2 301 GLY n 2 302 GLU n 2 303 GLU n 2 304 PRO n 2 305 ASN n 2 306 TYR n 2 307 GLN n 2 308 GLU n 2 309 GLU n 2 310 TRP n 2 311 VAL n 2 312 MET n 2 313 HIS n 2 314 LYS n 2 315 LYS n 2 316 GLU n 2 317 VAL n 2 318 VAL n 2 319 LEU n 2 320 THR n 2 321 VAL n 2 322 PRO n 2 323 THR n 2 324 GLU n 2 325 GLY n 2 326 LEU n 2 327 GLU n 2 328 VAL n 2 329 THR n 2 330 TRP n 2 331 GLY n 2 332 ASN n 2 333 ASN n 2 334 GLU n 2 335 PRO n 2 336 TYR n 2 337 LYS n 2 338 TYR n 2 339 TRP n 2 340 PRO n 2 341 GLN n 2 342 LEU n 2 343 SER n 2 344 THR n 2 345 ASN n 2 346 GLY n 2 347 THR n 2 348 ALA n 2 349 HIS n 2 350 GLY n 2 351 HIS n 2 352 PRO n 2 353 HIS n 2 354 GLU n 2 355 ILE n 2 356 ILE n 2 357 LEU n 2 358 TYR n 2 359 TYR n 2 360 TYR n 3 1 GLU n 3 2 LEU n 3 3 TYR n 3 4 GLY n 3 5 GLY n 3 6 GLY n 3 7 GLY n 3 8 SER n 3 9 GLY n 3 10 GLY n 3 11 GLY n 3 12 GLY n 3 13 SER n 3 14 GLY n 3 15 GLY n 3 16 GLY n 3 17 GLY n 3 18 SER n 3 19 GLY n 3 20 GLY n 3 21 GLY n 3 22 GLY n 3 23 TYR n 3 24 GLU n 3 25 HIS n 3 26 VAL n 3 27 THR n 3 28 VAL n 3 29 ILE n 3 30 PRO n 3 31 ASN n 3 32 THR n 3 33 VAL n 3 34 GLY n 3 35 VAL n 3 36 PRO n 3 37 TYR n 3 38 LYS n 3 39 THR n 3 40 LEU n 3 41 VAL n 3 42 ASN n 3 43 ARG n 3 44 PRO n 3 45 GLY n 3 46 TYR n 3 47 SER n 3 48 PRO n 3 49 MET n 3 50 VAL n 3 51 LEU n 3 52 GLU n 3 53 MET n 3 54 GLU n 3 55 LEU n 3 56 LEU n 3 57 SER n 3 58 VAL n 3 59 THR n 3 60 LEU n 3 61 GLU n 3 62 PRO n 3 63 THR n 3 64 LEU n 3 65 SER n 3 66 LEU n 3 67 ASP n 3 68 TYR n 3 69 ILE n 3 70 THR n 3 71 CYS n 3 72 GLU n 3 73 TYR n 3 74 LYS n 3 75 THR n 3 76 VAL n 3 77 ILE n 3 78 PRO n 3 79 SER n 3 80 PRO n 3 81 TYR n 3 82 VAL n 3 83 LYS n 3 84 CYS n 3 85 CYS n 3 86 GLY n 3 87 THR n 3 88 ALA n 3 89 GLU n 3 90 CYS n 3 91 LYS n 3 92 ASP n 3 93 LYS n 3 94 ASN n 3 95 LEU n 3 96 PRO n 3 97 ASP n 3 98 TYR n 3 99 SER n 3 100 CYS n 3 101 LYS n 3 102 VAL n 3 103 PHE n 3 104 THR n 3 105 GLY n 3 106 VAL n 3 107 TYR n 3 108 PRO n 3 109 PHE n 3 110 MET n 3 111 TRP n 3 112 GLY n 3 113 GLY n 3 114 ALA n 3 115 TYR n 3 116 CYS n 3 117 PHE n 3 118 CYS n 3 119 ASP n 3 120 ALA n 3 121 GLU n 3 122 ASN n 3 123 THR n 3 124 GLN n 3 125 LEU n 3 126 SER n 3 127 GLU n 3 128 ALA n 3 129 HIS n 3 130 VAL n 3 131 GLU n 3 132 LYS n 3 133 SER n 3 134 GLU n 3 135 SER n 3 136 CYS n 3 137 LYS n 3 138 THR n 3 139 GLU n 3 140 PHE n 3 141 ALA n 3 142 SER n 3 143 ALA n 3 144 TYR n 3 145 ARG n 3 146 ALA n 3 147 HIS n 3 148 THR n 3 149 ALA n 3 150 SER n 3 151 ALA n 3 152 SER n 3 153 ALA n 3 154 LYS n 3 155 LEU n 3 156 ARG n 3 157 VAL n 3 158 LEU n 3 159 TYR n 3 160 GLN n 3 161 GLY n 3 162 ASN n 3 163 ASN n 3 164 ILE n 3 165 THR n 3 166 VAL n 3 167 THR n 3 168 ALA n 3 169 TYR n 3 170 ALA n 3 171 ASN n 3 172 GLY n 3 173 ASP n 3 174 HIS n 3 175 ALA n 3 176 VAL n 3 177 THR n 3 178 VAL n 3 179 LYS n 3 180 ASP n 3 181 ALA n 3 182 LYS n 3 183 PHE n 3 184 ILE n 3 185 VAL n 3 186 GLY n 3 187 PRO n 3 188 MET n 3 189 SER n 3 190 SER n 3 191 ALA n 3 192 TRP n 3 193 THR n 3 194 PRO n 3 195 PHE n 3 196 ASP n 3 197 ASN n 3 198 LYS n 3 199 ILE n 3 200 VAL n 3 201 VAL n 3 202 TYR n 3 203 LYS n 3 204 GLY n 3 205 ASP n 3 206 VAL n 3 207 TYR n 3 208 ASN n 3 209 MET n 3 210 ASP n 3 211 TYR n 3 212 PRO n 3 213 PRO n 3 214 PHE n 3 215 GLY n 3 216 ALA n 3 217 GLY n 3 218 ARG n 3 219 PRO n 3 220 GLY n 3 221 GLN n 3 222 PHE n 3 223 GLY n 3 224 ASP n 3 225 ILE n 3 226 GLN n 3 227 SER n 3 228 ARG n 3 229 THR n 3 230 PRO n 3 231 GLU n 3 232 SER n 3 233 LYS n 3 234 ASP n 3 235 VAL n 3 236 TYR n 3 237 ALA n 3 238 ASN n 3 239 THR n 3 240 GLN n 3 241 LEU n 3 242 VAL n 3 243 LEU n 3 244 GLN n 3 245 ARG n 3 246 PRO n 3 247 ALA n 3 248 ALA n 3 249 GLY n 3 250 THR n 3 251 VAL n 3 252 HIS n 3 253 VAL n 3 254 PRO n 3 255 TYR n 3 256 SER n 3 257 GLN n 3 258 ALA n 3 259 PRO n 3 260 SER n 3 261 GLY n 3 262 PHE n 3 263 LYS n 3 264 TYR n 3 265 TRP n 3 266 LEU n 3 267 LYS n 3 268 GLU n 3 269 ARG n 3 270 GLY n 3 271 ALA n 3 272 SER n 3 273 LEU n 3 274 GLN n 3 275 HIS n 3 276 THR n 3 277 ALA n 3 278 PRO n 3 279 PHE n 3 280 GLY n 3 281 CYS n 3 282 GLN n 3 283 ILE n 3 284 ALA n 3 285 THR n 3 286 ASN n 3 287 PRO n 3 288 VAL n 3 289 ARG n 3 290 ALA n 3 291 VAL n 3 292 ASN n 3 293 CYS n 3 294 ALA n 3 295 VAL n 3 296 GLY n 3 297 ASN n 3 298 MET n 3 299 PRO n 3 300 ILE n 3 301 SER n 3 302 ILE n 3 303 ASP n 3 304 ILE n 3 305 PRO n 3 306 GLU n 3 307 ALA n 3 308 ALA n 3 309 PHE n 3 310 THR n 3 311 ARG n 3 312 VAL n 3 313 VAL n 3 314 ASP n 3 315 ALA n 3 316 PRO n 3 317 SER n 3 318 LEU n 3 319 THR n 3 320 ASP n 3 321 MET n 3 322 SER n 3 323 CYS n 3 324 GLU n 3 325 VAL n 3 326 PRO n 3 327 ALA n 3 328 CYS n 3 329 THR n 3 330 HIS n 3 331 SER n 3 332 SER n 3 333 ASP n 3 334 PHE n 3 335 GLY n 3 336 GLY n 3 337 VAL n 3 338 ALA n 3 339 ILE n 3 340 ILE n 3 341 LYS n 3 342 TYR n 3 343 ALA n 3 344 ALA n 3 345 SER n 3 346 LYS n 3 347 LYS n 3 348 GLY n 3 349 LYS n 3 350 CYS n 3 351 ALA n 3 352 VAL n 3 353 HIS n 3 354 SER n 3 355 MET n 3 356 THR n 3 357 ASN n 3 358 ALA n 3 359 VAL n 3 360 THR n 3 361 ILE n 3 362 ARG n 3 363 GLU n 3 364 ALA n 3 365 GLU n 3 366 ILE n 3 367 GLU n 3 368 VAL n 3 369 GLU n 3 370 GLY n 3 371 ASN n 3 372 SER n 3 373 GLN n 3 374 LEU n 3 375 GLN n 3 376 ILE n 3 377 SER n 3 378 PHE n 3 379 SER n 3 380 THR n 3 381 ALA n 3 382 LEU n 3 383 ALA n 3 384 SER n 3 385 ALA n 3 386 GLU n 3 387 PHE n 3 388 ARG n 3 389 VAL n 3 390 GLN n 3 391 VAL n 3 392 CYS n 3 393 SER n 3 394 THR n 3 395 GLN n 3 396 VAL n 3 397 HIS n 3 398 CYS n 3 399 ALA n 3 400 ALA n 3 401 GLU n 3 402 CYS n 3 403 HIS n 3 404 PRO n 3 405 PRO n 3 406 LYS n 3 407 ASP n 3 408 HIS n 3 409 ILE n 3 410 VAL n 3 411 ASN n 3 412 TYR n 3 413 PRO n 3 414 ALA n 3 415 SER n 3 416 HIS n 3 417 THR n 3 418 THR n 3 419 LEU n 3 420 GLY n 3 421 VAL n 3 422 GLN n 3 423 ASP n 3 424 ILE n 3 425 SER n 3 426 ALA n 3 427 THR n 3 428 ALA n 3 429 MET n 3 430 SER n 3 431 TRP n 3 432 VAL n 3 433 GLN n 3 434 LYS n 3 435 GLY n 3 436 PRO n 3 437 PHE n 3 438 GLU n 3 439 ASP n 3 440 ASP n 3 441 ASP n 3 442 ASP n 3 443 LYS n 3 444 ALA n 3 445 GLY n 3 446 TRP n 3 447 SER n 3 448 HIS n 3 449 PRO n 3 450 GLN n 3 451 PHE n 3 452 GLU n 3 453 LYS n 3 454 GLY n 3 455 GLY n 3 456 GLY n 3 457 SER n 3 458 GLY n 3 459 GLY n 3 460 GLY n 3 461 SER n 3 462 GLY n 3 463 GLY n 3 464 GLY n 3 465 SER n 3 466 TRP n 3 467 SER n 3 468 HIS n 3 469 PRO n 3 470 GLN n 3 471 PHE n 3 472 GLU n 3 473 LYS n # loop_ _entity_src_gen.entity_id _entity_src_gen.pdbx_src_id _entity_src_gen.pdbx_alt_source_flag _entity_src_gen.pdbx_seq_type _entity_src_gen.pdbx_beg_seq_num _entity_src_gen.pdbx_end_seq_num _entity_src_gen.gene_src_common_name _entity_src_gen.gene_src_genus _entity_src_gen.pdbx_gene_src_gene _entity_src_gen.gene_src_species _entity_src_gen.gene_src_strain _entity_src_gen.gene_src_tissue _entity_src_gen.gene_src_tissue_fraction _entity_src_gen.gene_src_details _entity_src_gen.pdbx_gene_src_fragment _entity_src_gen.pdbx_gene_src_scientific_name _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id _entity_src_gen.pdbx_gene_src_variant _entity_src_gen.pdbx_gene_src_cell_line _entity_src_gen.pdbx_gene_src_atcc _entity_src_gen.pdbx_gene_src_organ _entity_src_gen.pdbx_gene_src_organelle _entity_src_gen.pdbx_gene_src_cell _entity_src_gen.pdbx_gene_src_cellular_location _entity_src_gen.host_org_common_name _entity_src_gen.pdbx_host_org_scientific_name _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id _entity_src_gen.host_org_genus _entity_src_gen.pdbx_host_org_gene _entity_src_gen.pdbx_host_org_organ _entity_src_gen.host_org_species _entity_src_gen.pdbx_host_org_tissue _entity_src_gen.pdbx_host_org_tissue_fraction _entity_src_gen.pdbx_host_org_strain _entity_src_gen.pdbx_host_org_variant _entity_src_gen.pdbx_host_org_cell_line _entity_src_gen.pdbx_host_org_atcc _entity_src_gen.pdbx_host_org_culture_collection _entity_src_gen.pdbx_host_org_cell _entity_src_gen.pdbx_host_org_organelle _entity_src_gen.pdbx_host_org_cellular_location _entity_src_gen.pdbx_host_org_vector_type _entity_src_gen.pdbx_host_org_vector _entity_src_gen.host_org_details _entity_src_gen.expression_system_id _entity_src_gen.plasmid_name _entity_src_gen.plasmid_details _entity_src_gen.pdbx_description 1 1 sample ? ? ? CHIKV ? ? ? 05-115 ? ? ? ? 'Chikungunya virus' 37124 ? ? ? ? ? ? ? ? 'Drosophila Melanogaster' 7227 ? ? ? ? ? ? ? ? 'SCHNEIDER 2' ? ? ? ? ? PLASMID ? ? ? 'pMRBiP/V5 HisA' ? ? 2 1 sample ? ? ? CHIKV ? ? ? 05-115 ? ? ? ? 'Chikungunya virus' 37124 ? ? ? ? ? ? ? ? 'Drosophila Melanogaster' 7227 ? ? ? ? ? ? ? ? 'SCHNEIDER 2' ? ? ? ? ? PLASMID ? ? ? 'pMRBiP/V5 HisA' ? ? 3 1 sample ? ? ? CHIKV ? ? ? 05-115 ? ? ? ? 'Chikungunya virus' 37124 ? ? ? ? ? ? ? ? 'Drosophila Melanogaster' 7227 ? ? ? ? ? ? ? ? 'SCHNEIDER 2' ? ? ? ? ? PLASMID ? ? ? 'pMRBiP/V5 HisA' ? ? # loop_ _struct_ref.id _struct_ref.db_name _struct_ref.db_code _struct_ref.pdbx_db_accession _struct_ref.entity_id _struct_ref.pdbx_seq_one_letter_code _struct_ref.pdbx_align_begin _struct_ref.pdbx_db_isoform 1 UNP Q1H8W5_CHIKV Q1H8W5 1 PVMCLLANTTFPCSQPPCTPCCYEKEPEETLRMLEDNVMRPGYYQLLQASLTCSP 266 ? 2 UNP Q1H8W5_CHIKV Q1H8W5 2 ;NFNVYKATRPYLAHCPDCGEGHSCHSPVALERIRNEATDGTLKIQVSLQIGIKTDDSHDWTKLRYMDNHMPADAERAGLF VRTSAPCTITGTMGHFILARCPKGETLTVGFTDSRKISHSCTHPFHHDPPVIGREKFHSRPQHGKELPCSTYVQSTAATT EEIEVHMPPDTPDRTLMSQQSGNVKITVNGQTVRYKCNCGGSNEGLTTTDKVINNCKVDQCHAAVTNHKKWQYNSPLVPR NAELGDRKGKIHIPFPLANVTCRVPKARNPTVTYGKNQVIMLLYPDHPTLLSYRNMGEEPNYQEEWVMHKKEVVLTVPTE GLEVTWGNNEPYKYWPQL ; 330 ? 3 UNP Q1H8W5_CHIKV Q1H8W5 3 ;YEHVTVIPNTVGVPYKTLVNRPGYSPMVLEMELLSVTLEPTLSLDYITCEYKTVIPSPYVKCCGTAECKDKNLPDYSCKV FTGVYPFMWGGAYCFCDAENTQLSEAHVEKSESCKTEFASAYRAHTASASAKLRVLYQGNNITVTAYANGDHAVTVKDAK FIVGPMSSAWTPFDNKIVVYKGDVYNMDYPPFGAGRPGQFGDIQSRTPESKDVYANTQLVLQRPAAGTVHVPYSQAPSGF KYWLKERGASLQHTAPFGCQIATNPVRAVNCAVGNMPISIDIPEAAFTRVVDAPSLTDMSCEVPACTHSSDFGGVAIIKY AASKKGKCAVHSMTNAVTIREAEIEVEGNSQLQISFSTALASAEFRVQVCSTQVHCAAECH ; 810 ? # 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 3N41 A 6 ? 60 ? Q1H8W5 266 ? 320 ? 5 59 2 2 3N41 B 5 ? 342 ? Q1H8W5 330 ? 667 ? 5 342 3 3 3N41 F 23 ? 403 ? Q1H8W5 810 ? 1190 ? 1 381 # _struct_ref_seq_dif.align_id 3 _struct_ref_seq_dif.pdbx_pdb_id_code 3N41 _struct_ref_seq_dif.mon_id GLY _struct_ref_seq_dif.pdbx_pdb_strand_id F _struct_ref_seq_dif.seq_num 22 _struct_ref_seq_dif.pdbx_pdb_ins_code ? _struct_ref_seq_dif.pdbx_seq_db_name UNP _struct_ref_seq_dif.pdbx_seq_db_accession_code Q1H8W5 _struct_ref_seq_dif.db_mon_id ? _struct_ref_seq_dif.pdbx_seq_db_seq_num ? _struct_ref_seq_dif.details 'expression tag' _struct_ref_seq_dif.pdbx_auth_seq_num 0 _struct_ref_seq_dif.pdbx_ordinal 1 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 NDG D-saccharide . '2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE' ? '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.entry_id 3N41 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.65 _exptl_crystal.density_percent_sol 53.65 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method ? _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 7.0 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details '8-12% PEG4K, 100mM NaAcetate, 100mM Hepes pH7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K' # _diffrn.id 1 _diffrn.ambient_temp 110 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector PIXEL _diffrn_detector.type 'PSI PILATUS 6M' _diffrn_detector.pdbx_collection_date 2009-08-08 _diffrn_detector.details 'LN2 COOLED FIXED-EXIT SI(111) MONOCHROMATOR' # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'SI(111)' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9795 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SLS BEAMLINE X06SA' _diffrn_source.pdbx_synchrotron_site SLS _diffrn_source.pdbx_synchrotron_beamline X06SA _diffrn_source.pdbx_wavelength 0.9795 _diffrn_source.pdbx_wavelength_list ? # _reflns.entry_id 3N41 _reflns.observed_criterion_sigma_I 0.000 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 50.000 _reflns.d_resolution_high 3.000 _reflns.number_obs 20262 _reflns.number_all ? _reflns.percent_possible_obs 98.6 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.07300 _reflns.pdbx_netI_over_sigmaI 12.2000 _reflns.B_iso_Wilson_estimate 76.70 _reflns.pdbx_redundancy 3.500 _reflns.R_free_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.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 # _reflns_shell.d_res_high 3.00 _reflns_shell.d_res_low 3.17 _reflns_shell.percent_possible_all 94.8 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.47500 _reflns_shell.meanI_over_sigI_obs 2.000 _reflns_shell.pdbx_redundancy 2.40 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_diffrn_id ? _reflns_shell.pdbx_ordinal 1 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 3N41 _refine.ls_number_reflns_obs 20166 _refine.ls_number_reflns_all 20166 _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 0.000 _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 3.01 _refine.ls_percent_reflns_obs 98.3 _refine.ls_R_factor_obs 0.253 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.252 _refine.ls_R_factor_R_free 0.275 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.090 _refine.ls_number_reflns_R_free 1027 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.845 _refine.correlation_coeff_Fo_to_Fc_free 0.820 _refine.B_iso_mean 89.18 _refine.aniso_B[1][1] 5.10130 _refine.aniso_B[2][2] -9.15780 _refine.aniso_B[3][3] 4.05650 _refine.aniso_B[1][2] 0.00000 _refine.aniso_B[1][3] -24.60490 _refine.aniso_B[2][3] 0.00000 _refine.solvent_model_details ? _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii ? _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii ? _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ? _refine.pdbx_starting_model 'P62E1 ENVELOPE GLYCOPROTEINS FROM CHIKUNGUNYA VIRUS' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'Engh & Huber' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML ? _refine.pdbx_overall_phase_error ? _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.pdbx_overall_ESU_R ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? # _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_analyze.entry_id 3N41 _refine_analyze.Luzzati_coordinate_error_obs 0.79 _refine_analyze.Luzzati_sigma_a_obs ? _refine_analyze.Luzzati_d_res_low_obs ? _refine_analyze.Luzzati_coordinate_error_free ? _refine_analyze.Luzzati_sigma_a_free ? _refine_analyze.Luzzati_d_res_low_free ? _refine_analyze.number_disordered_residues ? _refine_analyze.occupancy_sum_hydrogen ? _refine_analyze.occupancy_sum_non_hydrogen ? _refine_analyze.pdbx_Luzzati_d_res_high_obs ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 5998 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 42 _refine_hist.number_atoms_solvent 23 _refine_hist.number_atoms_total 6063 _refine_hist.d_res_high 3.01 _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 t_bond_d 0.007 ? 2.000 6228 'X-RAY DIFFRACTION' HARMONIC t_angle_deg 0.96 ? 2.000 8503 'X-RAY DIFFRACTION' HARMONIC t_dihedral_angle_d ? ? 2.000 2056 'X-RAY DIFFRACTION' SINUSOIDAL t_incorr_chiral_ct ? ? ? ? 'X-RAY DIFFRACTION' ? t_pseud_angle ? ? ? ? 'X-RAY DIFFRACTION' ? t_trig_c_planes ? ? 2.000 145 'X-RAY DIFFRACTION' HARMONIC t_gen_planes ? ? 5.000 907 'X-RAY DIFFRACTION' HARMONIC t_it ? ? 20.000 6228 'X-RAY DIFFRACTION' HARMONIC t_nbd ? ? ? ? 'X-RAY DIFFRACTION' ? t_omega_torsion 1.780 ? ? ? 'X-RAY DIFFRACTION' ? t_other_torsion 19.020 ? ? ? 'X-RAY DIFFRACTION' ? t_improper_torsion ? ? ? ? 'X-RAY DIFFRACTION' ? t_chiral_improper_torsion ? ? 5.000 839 'X-RAY DIFFRACTION' SEMIHARMONIC t_sum_occupancies ? ? ? ? 'X-RAY DIFFRACTION' ? t_utility_distance ? ? ? ? 'X-RAY DIFFRACTION' ? t_utility_angle ? ? ? ? 'X-RAY DIFFRACTION' ? t_utility_torsion ? ? ? ? 'X-RAY DIFFRACTION' ? t_ideal_dist_contact ? ? 4.000 6339 'X-RAY DIFFRACTION' SEMIHARMONIC # _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_ls_shell.pdbx_total_number_of_bins_used 10 _refine_ls_shell.d_res_high 3.01 _refine_ls_shell.d_res_low 3.17 _refine_ls_shell.number_reflns_R_work 2673 _refine_ls_shell.R_factor_R_work 0.2786 _refine_ls_shell.percent_reflns_obs 98.32 _refine_ls_shell.R_factor_R_free 0.3244 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free 4.98 _refine_ls_shell.number_reflns_R_free 140 _refine_ls_shell.number_reflns_all 2813 _refine_ls_shell.R_factor_all 0.2808 _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.number_reflns_obs ? # _pdbx_refine.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine.entry_id 3N41 _pdbx_refine.R_factor_all_no_cutoff ? _pdbx_refine.R_factor_obs_no_cutoff ? _pdbx_refine.free_R_factor_no_cutoff ? _pdbx_refine.free_R_error_no_cutoff ? _pdbx_refine.free_R_val_test_set_size_perc_no_cutoff ? _pdbx_refine.free_R_val_test_set_ct_no_cutoff ? _pdbx_refine.R_factor_all_4sig_cutoff ? _pdbx_refine.R_factor_obs_4sig_cutoff ? _pdbx_refine.free_R_factor_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_size_perc_4sig_cutoff ? _pdbx_refine.free_R_val_test_set_ct_4sig_cutoff ? _pdbx_refine.number_reflns_obs_4sig_cutoff ? # _struct.entry_id 3N41 _struct.title 'Crystal structure of the mature envelope glycoprotein complex (spontaneous cleavage) of Chikungunya virus.' _struct.pdbx_descriptor 'E3 envelope glycoprotein, E2 envelope glycoprotein, E1 envelope glycoprotein' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3N41 _struct_keywords.pdbx_keywords 'VIRAL PROTEIN' _struct_keywords.text 'VIRAL PROTEIN, IMMATURE HETERODIMER, ALPHAVIRUS, RECEPTOR BINDING, MEMBRANE FUSION' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 5 ? F N N 4 ? G N N 6 ? H N N 6 ? # _struct_biol.id 1 _struct_biol.details ? # 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 1 CYS A 26 ? GLU A 31 ? CYS A 25 GLU A 30 1 ? 6 HELX_P HELX_P2 2 GLU A 31 ? ASP A 41 ? GLU A 30 ASP A 40 1 ? 11 HELX_P HELX_P3 3 GLY A 47 ? LEU A 56 ? GLY A 46 LEU A 55 1 ? 10 HELX_P HELX_P4 4 ASN B 7 ? ALA B 11 ? ASN B 7 ALA B 11 5 ? 5 HELX_P HELX_P5 5 LYS B 221 ? ASP B 223 ? LYS B 221 ASP B 223 5 ? 3 HELX_P HELX_P6 6 GLU C 134 ? THR C 138 ? GLU F 112 THR F 116 5 ? 5 HELX_P HELX_P7 7 SER C 260 ? ARG C 269 ? SER F 238 ARG F 247 1 ? 10 HELX_P HELX_P8 8 SER C 272 ? ALA C 277 ? SER F 250 ALA F 255 1 ? 6 HELX_P HELX_P9 9 PRO C 305 ? PHE C 309 ? PRO F 283 PHE F 287 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 9 SG ? ? ? 1_555 A CYS 18 SG ? ? A CYS 8 A CYS 17 1_555 ? ? ? ? ? ? ? 2.035 ? disulf2 disulf ? ? A CYS 23 SG ? ? ? 1_555 A CYS 27 SG ? ? A CYS 22 A CYS 26 1_555 ? ? ? ? ? ? ? 2.034 ? disulf3 disulf ? ? A CYS 26 SG ? ? ? 1_555 A CYS 58 SG ? ? A CYS 25 A CYS 57 1_555 ? ? ? ? ? ? ? 2.037 ? disulf4 disulf ? ? B CYS 19 SG ? ? ? 1_555 B CYS 125 SG ? ? B CYS 19 B CYS 125 1_555 ? ? ? ? ? ? ? 2.034 ? disulf5 disulf ? ? B CYS 22 SG ? ? ? 1_555 B CYS 28 SG ? ? B CYS 22 B CYS 28 1_555 ? ? ? ? ? ? ? 2.033 ? disulf6 disulf ? ? B CYS 91 SG ? ? ? 1_555 B CYS 105 SG ? ? B CYS 91 B CYS 105 1_555 ? ? ? ? ? ? ? 2.031 ? disulf7 disulf ? ? B CYS 153 SG ? ? ? 1_555 B CYS 266 SG ? ? B CYS 153 B CYS 266 1_555 ? ? ? ? ? ? ? 2.035 ? disulf8 disulf ? ? B CYS 201 SG ? ? ? 1_555 B CYS 225 SG ? ? B CYS 201 B CYS 225 1_555 ? ? ? ? ? ? ? 2.032 ? disulf9 disulf ? ? B CYS 203 SG ? ? ? 1_555 B CYS 220 SG ? ? B CYS 203 B CYS 220 1_555 ? ? ? ? ? ? ? 2.034 ? disulf10 disulf ? ? C CYS 71 SG ? ? ? 1_555 C CYS 136 SG ? ? F CYS 49 F CYS 114 1_555 ? ? ? ? ? ? ? 2.029 ? disulf11 disulf ? ? C CYS 84 SG ? ? ? 1_555 C CYS 116 SG ? ? F CYS 62 F CYS 94 1_555 ? ? ? ? ? ? ? 2.035 ? disulf12 disulf ? ? C CYS 85 SG ? ? ? 1_555 C CYS 118 SG ? ? F CYS 63 F CYS 96 1_555 ? ? ? ? ? ? ? 2.032 ? disulf13 disulf ? ? C CYS 90 SG ? ? ? 1_555 C CYS 100 SG ? ? F CYS 68 F CYS 78 1_555 ? ? ? ? ? ? ? 2.034 ? disulf14 disulf ? ? C CYS 281 SG ? ? ? 1_555 C CYS 293 SG ? ? F CYS 259 F CYS 271 1_555 ? ? ? ? ? ? ? 2.032 ? disulf15 disulf ? ? C CYS 323 SG ? ? ? 1_555 C CYS 398 SG ? ? F CYS 301 F CYS 376 1_555 ? ? ? ? ? ? ? 2.033 ? disulf16 disulf ? ? C CYS 328 SG ? ? ? 1_555 C CYS 402 SG ? ? F CYS 306 F CYS 380 1_555 ? ? ? ? ? ? ? 2.033 ? disulf17 disulf ? ? C CYS 350 SG ? ? ? 1_555 C CYS 392 SG ? ? F CYS 328 F CYS 370 1_555 ? ? ? ? ? ? ? 2.035 ? covale1 covale ? ? D NAG . O4 ? ? ? 1_555 E NDG . C1 ? ? B NAG 1001 B NDG 1002 1_555 ? ? ? ? ? ? ? 1.441 ? covale2 covale ? ? C ASN 163 ND2 ? ? ? 1_555 F NAG . C1 ? ? F ASN 141 F NAG 1001 1_555 ? ? ? ? ? ? ? 1.452 ? covale3 covale ? ? B ASN 263 ND2 ? ? ? 1_555 D NAG . C1 ? ? B ASN 263 B NAG 1001 1_555 ? ? ? ? ? ? ? 1.454 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 THR 24 A . ? THR 23 A PRO 25 A ? PRO 24 A 1 0.93 2 GLN 184 B . ? GLN 184 B SER 185 B ? SER 185 B 1 -2.55 3 GLY 209 B . ? GLY 209 B LEU 210 B ? LEU 210 B 1 2.11 4 GLY 186 C . ? GLY 164 F PRO 187 C ? PRO 165 F 1 0.51 5 ASN 286 C . ? ASN 264 F PRO 287 C ? PRO 265 F 1 -0.28 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 2 ? C ? 4 ? D ? 3 ? E ? 3 ? F ? 2 ? G ? 3 ? H ? 4 ? I ? 3 ? J ? 3 ? K ? 4 ? L ? 4 ? M ? 5 ? N ? 5 ? O ? 3 ? P ? 3 ? Q ? 2 ? R ? 2 ? S ? 2 ? T ? 4 ? U ? 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 A 1 2 ? anti-parallel B 1 2 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel F 1 2 ? anti-parallel G 1 2 ? anti-parallel G 2 3 ? anti-parallel H 1 2 ? anti-parallel H 2 3 ? anti-parallel H 3 4 ? anti-parallel I 1 2 ? anti-parallel I 2 3 ? anti-parallel J 1 2 ? anti-parallel J 2 3 ? anti-parallel K 1 2 ? anti-parallel K 2 3 ? anti-parallel K 3 4 ? anti-parallel L 1 2 ? anti-parallel L 2 3 ? anti-parallel L 3 4 ? anti-parallel M 1 2 ? anti-parallel M 2 3 ? anti-parallel M 3 4 ? anti-parallel M 4 5 ? anti-parallel N 1 2 ? anti-parallel N 2 3 ? anti-parallel N 3 4 ? anti-parallel N 4 5 ? anti-parallel O 1 2 ? anti-parallel O 2 3 ? anti-parallel P 1 2 ? anti-parallel P 2 3 ? anti-parallel Q 1 2 ? anti-parallel R 1 2 ? anti-parallel S 1 2 ? anti-parallel T 1 2 ? anti-parallel T 2 3 ? anti-parallel T 3 4 ? anti-parallel U 1 2 ? anti-parallel U 2 3 ? anti-parallel U 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 A 1 MET A 8 ? LEU A 11 ? MET A 7 LEU A 10 A 2 THR A 14 ? PRO A 17 ? THR A 13 PRO A 16 B 1 ALA B 17 ? CYS B 19 ? ALA B 17 CYS B 19 B 2 CYS B 28 ? SER B 30 ? CYS B 28 SER B 30 C 1 LEU B 34 ? ARG B 38 ? LEU B 34 ARG B 38 C 2 THR B 45 ? ILE B 56 ? THR B 45 ILE B 56 C 3 HIS B 62 ? ASP B 71 ? HIS B 62 ASP B 71 C 4 MET B 74 ? GLU B 79 ? MET B 74 GLU B 79 D 1 LEU B 34 ? ARG B 38 ? LEU B 34 ARG B 38 D 2 THR B 45 ? ILE B 56 ? THR B 45 ILE B 56 D 3 THR B 92 ? ARG B 104 ? THR B 92 ARG B 104 E 1 PHE B 84 ? ARG B 86 ? PHE B 84 ARG B 86 E 2 GLY B 108 ? ASP B 117 ? GLY B 108 ASP B 117 E 3 LYS B 120 ? HIS B 131 ? LYS B 120 HIS B 131 F 1 LYS B 149 ? TYR B 156 ? LYS B 149 TYR B 156 F 2 LEU B 261 ? VAL B 268 ? LEU B 261 VAL B 268 G 1 GLN B 236 ? TYR B 237 ? GLN B 236 TYR B 237 G 2 GLU B 166 ? HIS B 170 ? GLU B 166 HIS B 170 G 3 GLY B 253 ? HIS B 256 ? GLY B 253 HIS B 256 H 1 THR B 175 ? PRO B 176 ? THR B 175 PRO B 176 H 2 CYS B 225 ? THR B 230 ? CYS B 225 THR B 230 H 3 THR B 196 ? CYS B 201 ? THR B 196 CYS B 201 H 4 LEU B 210 ? THR B 211 ? LEU B 210 THR B 211 I 1 MET B 181 ? GLN B 183 ? MET B 181 GLN B 183 I 2 VAL B 188 ? ILE B 190 ? VAL B 188 ILE B 190 I 3 LYS B 215 ? ILE B 217 ? LYS B 215 ILE B 217 J 1 THR B 275 ? GLY B 279 ? THR B 275 GLY B 279 J 2 GLN B 282 ? LEU B 287 ? GLN B 282 LEU B 287 J 3 LYS B 315 ? THR B 320 ? LYS B 315 THR B 320 K 1 GLN B 307 ? VAL B 311 ? GLN B 307 VAL B 311 K 2 THR B 293 ? ASN B 299 ? THR B 293 ASN B 299 K 3 LEU B 326 ? TRP B 330 ? LEU B 326 TRP B 330 K 4 TYR B 336 ? TYR B 338 ? TYR B 336 TYR B 338 L 1 TYR C 23 ? PRO C 30 ? TYR F 1 PRO F 8 L 2 ASN C 297 ? ILE C 304 ? ASN F 275 ILE F 282 L 3 ALA C 181 ? VAL C 185 ? ALA F 159 VAL F 163 L 4 ALA C 175 ? VAL C 178 ? ALA F 153 VAL F 156 M 1 TYR C 37 ? VAL C 41 ? TYR F 15 VAL F 19 M 2 MET C 49 ? THR C 70 ? MET F 27 THR F 48 M 3 ALA C 141 ? TYR C 159 ? ALA F 119 TYR F 137 M 4 LYS C 198 ? TYR C 202 ? LYS F 176 TYR F 180 M 5 ASP C 205 ? ASN C 208 ? ASP F 183 ASN F 186 N 1 ASN C 162 ? TYR C 169 ? ASN F 140 TYR F 147 N 2 ALA C 141 ? TYR C 159 ? ALA F 119 TYR F 137 N 3 MET C 49 ? THR C 70 ? MET F 27 THR F 48 N 4 ARG C 289 ? VAL C 291 ? ARG F 267 VAL F 269 N 5 GLN C 282 ? ALA C 284 ? GLN F 260 ALA F 262 O 1 TYR C 73 ? VAL C 76 ? TYR F 51 VAL F 54 O 2 THR C 123 ? LYS C 132 ? THR F 101 LYS F 110 O 3 TYR C 81 ? LYS C 83 ? TYR F 59 LYS F 61 P 1 TYR C 73 ? VAL C 76 ? TYR F 51 VAL F 54 P 2 THR C 123 ? LYS C 132 ? THR F 101 LYS F 110 P 3 SER C 99 ? THR C 104 ? SER F 77 THR F 82 Q 1 PHE C 109 ? MET C 110 ? PHE F 87 MET F 88 Q 2 GLY C 113 ? ALA C 114 ? GLY F 91 ALA F 92 R 1 ILE C 225 ? GLN C 226 ? ILE F 203 GLN F 204 R 2 TYR C 236 ? ALA C 237 ? TYR F 214 ALA F 215 S 1 VAL C 242 ? LEU C 243 ? VAL F 220 LEU F 221 S 2 TYR C 255 ? SER C 256 ? TYR F 233 SER F 234 T 1 LEU C 318 ? ALA C 327 ? LEU F 296 ALA F 305 T 2 GLY C 336 ? ALA C 344 ? GLY F 314 ALA F 322 T 3 GLN C 373 ? THR C 380 ? GLN F 351 THR F 358 T 4 VAL C 359 ? ILE C 361 ? VAL F 337 ILE F 339 U 1 GLU C 365 ? VAL C 368 ? GLU F 343 VAL F 346 U 2 GLY C 348 ? SER C 354 ? GLY F 326 SER F 332 U 3 SER C 384 ? VAL C 391 ? SER F 362 VAL F 369 U 4 THR C 394 ? GLU C 401 ? THR F 372 GLU F 379 # 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 A 1 2 N CYS A 9 ? N CYS A 8 O PHE A 16 ? O PHE A 15 B 1 2 N ALA B 17 ? N ALA B 17 O SER B 30 ? O SER B 30 C 1 2 N ARG B 38 ? N ARG B 38 O LYS B 47 ? O LYS B 47 C 2 3 N GLN B 53 ? N GLN B 53 O ARG B 68 ? O ARG B 68 C 3 4 N LEU B 67 ? N LEU B 67 O ALA B 78 ? O ALA B 78 D 1 2 N ARG B 38 ? N ARG B 38 O LYS B 47 ? O LYS B 47 D 2 3 N ILE B 48 ? N ILE B 48 O ILE B 101 ? O ILE B 101 E 1 2 N ARG B 86 ? N ARG B 86 O THR B 112 ? O THR B 112 E 2 3 N GLY B 108 ? N GLY B 108 O HIS B 131 ? O HIS B 131 F 1 2 N CYS B 153 ? N CYS B 153 O VAL B 264 ? O VAL B 264 G 1 2 O GLN B 236 ? O GLN B 236 N HIS B 170 ? N HIS B 170 G 2 3 N VAL B 169 ? N VAL B 169 O GLY B 253 ? O GLY B 253 H 1 2 N THR B 175 ? N THR B 175 O VAL B 229 ? O VAL B 229 H 2 3 O ALA B 228 ? O ALA B 228 N ARG B 198 ? N ARG B 198 H 3 4 N VAL B 197 ? N VAL B 197 O THR B 211 ? O THR B 211 I 1 2 N SER B 182 ? N SER B 182 O LYS B 189 ? O LYS B 189 I 2 3 N VAL B 188 ? N VAL B 188 O ILE B 217 ? O ILE B 217 J 1 2 N THR B 277 ? N THR B 277 O ILE B 284 ? O ILE B 284 J 2 3 N VAL B 283 ? N VAL B 283 O LEU B 319 ? O LEU B 319 K 1 2 O VAL B 311 ? O VAL B 311 N THR B 293 ? N THR B 293 K 2 3 N SER B 296 ? N SER B 296 O THR B 329 ? O THR B 329 K 3 4 N VAL B 328 ? N VAL B 328 O TYR B 336 ? O TYR B 336 L 1 2 N THR C 27 ? N THR F 5 O ILE C 300 ? O ILE F 278 L 2 3 O ASP C 303 ? O ASP F 281 N LYS C 182 ? N LYS F 160 L 3 4 O PHE C 183 ? O PHE F 161 N VAL C 176 ? N VAL F 154 M 1 2 N VAL C 41 ? N VAL F 19 O MET C 49 ? O MET F 27 M 2 3 N GLU C 54 ? N GLU F 32 O ARG C 156 ? O ARG F 134 M 3 4 N SER C 142 ? N SER F 120 O VAL C 201 ? O VAL F 179 M 4 5 N VAL C 200 ? N VAL F 178 O TYR C 207 ? O TYR F 185 N 1 2 O ALA C 168 ? O ALA F 146 N ALA C 153 ? N ALA F 131 N 2 3 O ARG C 156 ? O ARG F 134 N GLU C 54 ? N GLU F 32 N 3 4 N LEU C 60 ? N LEU F 38 O ALA C 290 ? O ALA F 268 N 4 5 O VAL C 291 ? O VAL F 269 N GLN C 282 ? N GLN F 260 O 1 2 N LYS C 74 ? N LYS F 52 O GLU C 131 ? O GLU F 109 O 2 3 O LEU C 125 ? O LEU F 103 N TYR C 81 ? N TYR F 59 P 1 2 N LYS C 74 ? N LYS F 52 O GLU C 131 ? O GLU F 109 P 2 3 O ALA C 128 ? O ALA F 106 N SER C 99 ? N SER F 77 Q 1 2 N MET C 110 ? N MET F 88 O GLY C 113 ? O GLY F 91 R 1 2 N GLN C 226 ? N GLN F 204 O TYR C 236 ? O TYR F 214 S 1 2 N VAL C 242 ? N VAL F 220 O SER C 256 ? O SER F 234 T 1 2 N GLU C 324 ? N GLU F 302 O ILE C 339 ? O ILE F 317 T 2 3 N ILE C 340 ? N ILE F 318 O LEU C 374 ? O LEU F 352 T 3 4 O SER C 379 ? O SER F 357 N THR C 360 ? N THR F 338 U 1 2 O VAL C 368 ? O VAL F 346 N GLY C 348 ? N GLY F 326 U 2 3 N HIS C 353 ? N HIS F 331 O GLN C 390 ? O GLN F 368 U 3 4 N PHE C 387 ? N PHE F 365 O CYS C 398 ? O CYS F 376 # 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 ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG B 1001' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NDG B 1002' AC3 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG F 1001' # 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 4 ASN B 263 ? ASN B 263 . ? 1_555 ? 2 AC1 4 NDG E . ? NDG B 1002 . ? 1_555 ? 3 AC1 4 LYS C 137 ? LYS F 115 . ? 1_555 ? 4 AC1 4 THR C 138 ? THR F 116 . ? 1_555 ? 5 AC2 4 NAG D . ? NAG B 1001 . ? 1_555 ? 6 AC2 4 PHE C 140 ? PHE F 118 . ? 1_555 ? 7 AC2 4 PRO C 230 ? PRO F 208 . ? 1_555 ? 8 AC2 4 GLU C 231 ? GLU F 209 . ? 1_555 ? 9 AC3 2 ARG C 156 ? ARG F 134 . ? 1_555 ? 10 AC3 2 ASN C 163 ? ASN F 141 . ? 1_555 ? # _database_PDB_matrix.entry_id 3N41 _database_PDB_matrix.origx[1][1] 1.000000 _database_PDB_matrix.origx[1][2] 0.000000 _database_PDB_matrix.origx[1][3] 0.000000 _database_PDB_matrix.origx[2][1] 0.000000 _database_PDB_matrix.origx[2][2] 1.000000 _database_PDB_matrix.origx[2][3] 0.000000 _database_PDB_matrix.origx[3][1] 0.000000 _database_PDB_matrix.origx[3][2] 0.000000 _database_PDB_matrix.origx[3][3] 1.000000 _database_PDB_matrix.origx_vector[1] 0.00000 _database_PDB_matrix.origx_vector[2] 0.00000 _database_PDB_matrix.origx_vector[3] 0.00000 # _atom_sites.entry_id 3N41 _atom_sites.fract_transf_matrix[1][1] 0.019904 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.004559 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.010039 _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] 0.009579 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . PRO A 1 6 ? -20.489 9.226 -13.759 1.00 80.68 ? 5 PRO A N 1 ATOM 2 C CA . PRO A 1 6 ? -19.696 8.017 -13.649 1.00 80.11 ? 5 PRO A CA 1 ATOM 3 C C . PRO A 1 6 ? -20.552 6.782 -13.509 1.00 83.62 ? 5 PRO A C 1 ATOM 4 O O . PRO A 1 6 ? -21.696 6.771 -13.923 1.00 83.41 ? 5 PRO A O 1 ATOM 5 C CB . PRO A 1 6 ? -18.934 8.242 -12.362 1.00 81.40 ? 5 PRO A CB 1 ATOM 6 C CG . PRO A 1 6 ? -19.775 9.058 -11.591 1.00 85.64 ? 5 PRO A CG 1 ATOM 7 C CD . PRO A 1 6 ? -20.381 10.015 -12.533 1.00 81.85 ? 5 PRO A CD 1 ATOM 8 N N . VAL A 1 7 ? -19.985 5.746 -12.914 1.00 79.78 ? 6 VAL A N 1 ATOM 9 C CA . VAL A 1 7 ? -20.592 4.440 -12.900 1.00 79.28 ? 6 VAL A CA 1 ATOM 10 C C . VAL A 1 7 ? -21.220 4.133 -11.576 1.00 82.47 ? 6 VAL A C 1 ATOM 11 O O . VAL A 1 7 ? -20.547 4.049 -10.573 1.00 81.55 ? 6 VAL A O 1 ATOM 12 C CB . VAL A 1 7 ? -19.546 3.396 -13.112 1.00 83.17 ? 6 VAL A CB 1 ATOM 13 C CG1 . VAL A 1 7 ? -19.508 2.496 -11.913 1.00 82.59 ? 6 VAL A CG1 1 ATOM 14 C CG2 . VAL A 1 7 ? -19.821 2.632 -14.373 1.00 82.89 ? 6 VAL A CG2 1 ATOM 15 N N . MET A 1 8 ? -22.520 3.930 -11.588 1.00 79.28 ? 7 MET A N 1 ATOM 16 C CA . MET A 1 8 ? -23.273 3.766 -10.372 1.00 78.95 ? 7 MET A CA 1 ATOM 17 C C . MET A 1 8 ? -23.429 2.333 -9.936 1.00 82.73 ? 7 MET A C 1 ATOM 18 O O . MET A 1 8 ? -23.591 1.438 -10.732 1.00 82.54 ? 7 MET A O 1 ATOM 19 C CB . MET A 1 8 ? -24.654 4.356 -10.560 1.00 82.02 ? 7 MET A CB 1 ATOM 20 C CG . MET A 1 8 ? -24.806 5.758 -10.063 1.00 85.73 ? 7 MET A CG 1 ATOM 21 S SD . MET A 1 8 ? -23.448 6.798 -10.528 1.00 89.92 ? 7 MET A SD 1 ATOM 22 C CE . MET A 1 8 ? -22.722 7.016 -8.935 1.00 86.16 ? 7 MET A CE 1 ATOM 23 N N . CYS A 1 9 ? -23.392 2.159 -8.634 1.00 79.08 ? 8 CYS A N 1 ATOM 24 C CA . CYS A 1 9 ? -23.606 0.906 -7.909 1.00 78.82 ? 8 CYS A CA 1 ATOM 25 C C . CYS A 1 9 ? -24.750 1.099 -6.897 1.00 83.60 ? 8 CYS A C 1 ATOM 26 O O . CYS A 1 9 ? -25.115 2.241 -6.599 1.00 83.37 ? 8 CYS A O 1 ATOM 27 C CB . CYS A 1 9 ? -22.318 0.444 -7.229 1.00 78.36 ? 8 CYS A CB 1 ATOM 28 S SG . CYS A 1 9 ? -21.229 -0.554 -8.283 1.00 81.85 ? 8 CYS A SG 1 ATOM 29 N N . LEU A 1 10 ? -25.332 -0.004 -6.390 1.00 80.90 ? 9 LEU A N 1 ATOM 30 C CA . LEU A 1 10 ? -26.441 0.076 -5.437 1.00 81.78 ? 9 LEU A CA 1 ATOM 31 C C . LEU A 1 10 ? -26.172 -0.534 -4.060 1.00 85.99 ? 9 LEU A C 1 ATOM 32 O O . LEU A 1 10 ? -25.453 -1.527 -3.946 1.00 85.00 ? 9 LEU A O 1 ATOM 33 C CB . LEU A 1 10 ? -27.773 -0.417 -6.039 1.00 83.01 ? 9 LEU A CB 1 ATOM 34 C CG . LEU A 1 10 ? -27.874 -1.884 -6.443 1.00 87.98 ? 9 LEU A CG 1 ATOM 35 C CD1 . LEU A 1 10 ? -29.132 -2.515 -5.877 1.00 89.53 ? 9 LEU A CD1 1 ATOM 36 C CD2 . LEU A 1 10 ? -27.848 -2.032 -7.949 1.00 90.64 ? 9 LEU A CD2 1 ATOM 37 N N . LEU A 1 11 ? -26.752 0.088 -3.017 1.00 83.60 ? 10 LEU A N 1 ATOM 38 C CA . LEU A 1 11 ? -26.671 -0.333 -1.618 1.00 83.82 ? 10 LEU A CA 1 ATOM 39 C C . LEU A 1 11 ? -28.083 -0.239 -1.030 1.00 89.44 ? 10 LEU A C 1 ATOM 40 O O . LEU A 1 11 ? -28.522 0.847 -0.638 1.00 89.60 ? 10 LEU A O 1 ATOM 41 C CB . LEU A 1 11 ? -25.685 0.557 -0.829 1.00 83.36 ? 10 LEU A CB 1 ATOM 42 C CG . LEU A 1 11 ? -24.854 -0.113 0.274 1.00 87.84 ? 10 LEU A CG 1 ATOM 43 C CD1 . LEU A 1 11 ? -23.655 0.737 0.629 1.00 87.43 ? 10 LEU A CD1 1 ATOM 44 C CD2 . LEU A 1 11 ? -25.677 -0.372 1.536 1.00 91.52 ? 10 LEU A CD2 1 ATOM 45 N N . ALA A 1 12 ? -28.797 -1.386 -1.010 1.00 87.00 ? 11 ALA A N 1 ATOM 46 C CA . ALA A 1 12 ? -30.175 -1.566 -0.530 1.00 88.73 ? 11 ALA A CA 1 ATOM 47 C C . ALA A 1 12 ? -31.217 -0.658 -1.214 1.00 93.72 ? 11 ALA A C 1 ATOM 48 O O . ALA A 1 12 ? -31.988 -1.150 -2.039 1.00 94.16 ? 11 ALA A O 1 ATOM 49 C CB . ALA A 1 12 ? -30.250 -1.461 0.993 1.00 90.18 ? 11 ALA A CB 1 ATOM 50 N N . ASN A 1 13 ? -31.228 0.654 -0.890 1.00 90.34 ? 12 ASN A N 1 ATOM 51 C CA . ASN A 1 13 ? -32.168 1.627 -1.454 1.00 91.19 ? 12 ASN A CA 1 ATOM 52 C C . ASN A 1 13 ? -31.492 2.904 -1.995 1.00 93.62 ? 12 ASN A C 1 ATOM 53 O O . ASN A 1 13 ? -32.178 3.754 -2.569 1.00 93.94 ? 12 ASN A O 1 ATOM 54 C CB . ASN A 1 13 ? -33.259 1.974 -0.422 1.00 94.51 ? 12 ASN A CB 1 ATOM 55 C CG . ASN A 1 13 ? -32.786 2.763 0.783 1.00 119.59 ? 12 ASN A CG 1 ATOM 56 O OD1 . ASN A 1 13 ? -31.665 2.601 1.284 1.00 113.36 ? 12 ASN A OD1 1 ATOM 57 N ND2 . ASN A 1 13 ? -33.654 3.623 1.295 1.00 113.15 ? 12 ASN A ND2 1 ATOM 58 N N . THR A 1 14 ? -30.160 3.037 -1.818 1.00 88.32 ? 13 THR A N 1 ATOM 59 C CA . THR A 1 14 ? -29.399 4.218 -2.253 1.00 87.10 ? 13 THR A CA 1 ATOM 60 C C . THR A 1 14 ? -28.372 3.930 -3.353 1.00 89.14 ? 13 THR A C 1 ATOM 61 O O . THR A 1 14 ? -27.788 2.844 -3.388 1.00 88.01 ? 13 THR A O 1 ATOM 62 C CB . THR A 1 14 ? -28.748 4.926 -1.054 1.00 95.03 ? 13 THR A CB 1 ATOM 63 O OG1 . THR A 1 14 ? -27.910 4.003 -0.357 1.00 93.67 ? 13 THR A OG1 1 ATOM 64 C CG2 . THR A 1 14 ? -29.772 5.539 -0.101 1.00 95.33 ? 13 THR A CG2 1 ATOM 65 N N . THR A 1 15 ? -28.148 4.922 -4.236 1.00 85.04 ? 14 THR A N 1 ATOM 66 C CA . THR A 1 15 ? -27.193 4.854 -5.347 1.00 83.67 ? 14 THR A CA 1 ATOM 67 C C . THR A 1 15 ? -25.889 5.585 -5.008 1.00 85.94 ? 14 THR A C 1 ATOM 68 O O . THR A 1 15 ? -25.921 6.625 -4.344 1.00 85.71 ? 14 THR A O 1 ATOM 69 C CB . THR A 1 15 ? -27.845 5.275 -6.682 1.00 92.60 ? 14 THR A CB 1 ATOM 70 O OG1 . THR A 1 15 ? -26.907 5.098 -7.744 1.00 91.37 ? 14 THR A OG1 1 ATOM 71 C CG2 . THR A 1 15 ? -28.377 6.715 -6.675 1.00 92.09 ? 14 THR A CG2 1 ATOM 72 N N . PHE A 1 16 ? -24.745 5.030 -5.455 1.00 81.14 ? 15 PHE A N 1 ATOM 73 C CA . PHE A 1 16 ? -23.412 5.580 -5.188 1.00 80.15 ? 15 PHE A CA 1 ATOM 74 C C . PHE A 1 16 ? -22.407 5.220 -6.305 1.00 83.00 ? 15 PHE A C 1 ATOM 75 O O . PHE A 1 16 ? -22.597 4.186 -6.950 1.00 82.49 ? 15 PHE A O 1 ATOM 76 C CB . PHE A 1 16 ? -22.902 5.079 -3.815 1.00 81.71 ? 15 PHE A CB 1 ATOM 77 C CG . PHE A 1 16 ? -22.574 3.603 -3.742 1.00 82.84 ? 15 PHE A CG 1 ATOM 78 C CD1 . PHE A 1 16 ? -23.560 2.667 -3.452 1.00 86.27 ? 15 PHE A CD1 1 ATOM 79 C CD2 . PHE A 1 16 ? -21.275 3.153 -3.933 1.00 84.40 ? 15 PHE A CD2 1 ATOM 80 C CE1 . PHE A 1 16 ? -23.255 1.305 -3.391 1.00 86.84 ? 15 PHE A CE1 1 ATOM 81 C CE2 . PHE A 1 16 ? -20.973 1.791 -3.876 1.00 86.85 ? 15 PHE A CE2 1 ATOM 82 C CZ . PHE A 1 16 ? -21.962 0.877 -3.593 1.00 85.18 ? 15 PHE A CZ 1 ATOM 83 N N . PRO A 1 17 ? -21.308 5.995 -6.521 1.00 79.05 ? 16 PRO A N 1 ATOM 84 C CA . PRO A 1 17 ? -20.332 5.595 -7.553 1.00 78.57 ? 16 PRO A CA 1 ATOM 85 C C . PRO A 1 17 ? -19.561 4.343 -7.128 1.00 81.73 ? 16 PRO A C 1 ATOM 86 O O . PRO A 1 17 ? -19.070 4.282 -5.999 1.00 81.13 ? 16 PRO A O 1 ATOM 87 C CB . PRO A 1 17 ? -19.430 6.826 -7.699 1.00 80.62 ? 16 PRO A CB 1 ATOM 88 C CG . PRO A 1 17 ? -19.542 7.541 -6.412 1.00 85.19 ? 16 PRO A CG 1 ATOM 89 C CD . PRO A 1 17 ? -20.901 7.247 -5.847 1.00 80.77 ? 16 PRO A CD 1 ATOM 90 N N . CYS A 1 18 ? -19.507 3.329 -8.019 1.00 78.03 ? 17 CYS A N 1 ATOM 91 C CA . CYS A 1 18 ? -18.860 2.026 -7.802 1.00 77.45 ? 17 CYS A CA 1 ATOM 92 C C . CYS A 1 18 ? -17.468 2.098 -7.175 1.00 80.83 ? 17 CYS A C 1 ATOM 93 O O . CYS A 1 18 ? -17.198 1.373 -6.218 1.00 80.09 ? 17 CYS A O 1 ATOM 94 C CB . CYS A 1 18 ? -18.854 1.199 -9.083 1.00 77.94 ? 17 CYS A CB 1 ATOM 95 S SG . CYS A 1 18 ? -20.500 0.734 -9.679 1.00 82.14 ? 17 CYS A SG 1 ATOM 96 N N . SER A 1 19 ? -16.605 2.996 -7.688 1.00 77.59 ? 18 SER A N 1 ATOM 97 C CA . SER A 1 19 ? -15.242 3.197 -7.192 1.00 77.61 ? 18 SER A CA 1 ATOM 98 C C . SER A 1 19 ? -15.203 3.825 -5.792 1.00 81.27 ? 18 SER A C 1 ATOM 99 O O . SER A 1 19 ? -14.160 3.777 -5.136 1.00 81.14 ? 18 SER A O 1 ATOM 100 C CB . SER A 1 19 ? -14.433 4.035 -8.177 1.00 81.89 ? 18 SER A CB 1 ATOM 101 O OG . SER A 1 19 ? -14.988 5.330 -8.336 1.00 90.93 ? 18 SER A OG 1 ATOM 102 N N . GLN A 1 20 ? -16.331 4.406 -5.334 1.00 77.59 ? 19 GLN A N 1 ATOM 103 C CA . GLN A 1 20 ? -16.405 5.038 -4.022 1.00 77.55 ? 19 GLN A CA 1 ATOM 104 C C . GLN A 1 20 ? -17.537 4.583 -3.096 1.00 80.82 ? 19 GLN A C 1 ATOM 105 O O . GLN A 1 20 ? -18.501 5.328 -2.887 1.00 80.57 ? 19 GLN A O 1 ATOM 106 C CB . GLN A 1 20 ? -16.305 6.554 -4.127 1.00 79.54 ? 19 GLN A CB 1 ATOM 107 C CG . GLN A 1 20 ? -14.870 7.007 -4.024 1.00 97.94 ? 19 GLN A CG 1 ATOM 108 C CD . GLN A 1 20 ? -14.710 8.329 -4.686 1.00 120.65 ? 19 GLN A CD 1 ATOM 109 O OE1 . GLN A 1 20 ? -14.924 9.378 -4.075 1.00 117.36 ? 19 GLN A OE1 1 ATOM 110 N NE2 . GLN A 1 20 ? -14.396 8.295 -5.972 1.00 113.55 ? 19 GLN A NE2 1 ATOM 111 N N . PRO A 1 21 ? -17.412 3.386 -2.477 1.00 76.88 ? 20 PRO A N 1 ATOM 112 C CA . PRO A 1 21 ? -18.445 2.956 -1.518 1.00 76.63 ? 20 PRO A CA 1 ATOM 113 C C . PRO A 1 21 ? -18.369 3.766 -0.212 1.00 80.88 ? 20 PRO A C 1 ATOM 114 O O . PRO A 1 21 ? -17.280 4.242 0.116 1.00 80.73 ? 20 PRO A O 1 ATOM 115 C CB . PRO A 1 21 ? -18.159 1.466 -1.322 1.00 78.05 ? 20 PRO A CB 1 ATOM 116 C CG . PRO A 1 21 ? -16.733 1.291 -1.675 1.00 82.42 ? 20 PRO A CG 1 ATOM 117 C CD . PRO A 1 21 ? -16.320 2.396 -2.590 1.00 78.22 ? 20 PRO A CD 1 ATOM 118 N N . PRO A 1 22 ? -19.486 3.981 0.531 1.00 77.68 ? 21 PRO A N 1 ATOM 119 C CA . PRO A 1 22 ? -19.408 4.806 1.758 1.00 78.07 ? 21 PRO A CA 1 ATOM 120 C C . PRO A 1 22 ? -18.553 4.248 2.901 1.00 81.86 ? 21 PRO A C 1 ATOM 121 O O . PRO A 1 22 ? -18.147 5.009 3.782 1.00 82.00 ? 21 PRO A O 1 ATOM 122 C CB . PRO A 1 22 ? -20.874 4.969 2.170 1.00 80.36 ? 21 PRO A CB 1 ATOM 123 C CG . PRO A 1 22 ? -21.566 3.795 1.579 1.00 84.49 ? 21 PRO A CG 1 ATOM 124 C CD . PRO A 1 22 ? -20.869 3.525 0.280 1.00 79.30 ? 21 PRO A CD 1 ATOM 125 N N . CYS A 1 23 ? -18.278 2.932 2.880 1.00 77.80 ? 22 CYS A N 1 ATOM 126 C CA . CYS A 1 23 ? -17.491 2.214 3.886 1.00 77.70 ? 22 CYS A CA 1 ATOM 127 C C . CYS A 1 23 ? -15.983 2.516 3.876 1.00 81.45 ? 22 CYS A C 1 ATOM 128 O O . CYS A 1 23 ? -15.311 2.215 4.864 1.00 81.49 ? 22 CYS A O 1 ATOM 129 C CB . CYS A 1 23 ? -17.765 0.713 3.815 1.00 77.58 ? 22 CYS A CB 1 ATOM 130 S SG . CYS A 1 23 ? -17.614 0.001 2.153 1.00 80.55 ? 22 CYS A SG 1 ATOM 131 N N . THR A 1 24 ? -15.450 3.077 2.765 1.00 77.67 ? 23 THR A N 1 ATOM 132 C CA . THR A 1 24 ? -14.024 3.393 2.580 1.00 77.90 ? 23 THR A CA 1 ATOM 133 C C . THR A 1 24 ? -13.414 4.291 3.687 1.00 82.77 ? 23 THR A C 1 ATOM 134 O O . THR A 1 24 ? -14.071 5.249 4.105 1.00 82.75 ? 23 THR A O 1 ATOM 135 C CB . THR A 1 24 ? -13.738 3.859 1.130 1.00 85.79 ? 23 THR A CB 1 ATOM 136 O OG1 . THR A 1 24 ? -12.347 3.732 0.840 1.00 85.97 ? 23 THR A OG1 1 ATOM 137 C CG2 . THR A 1 24 ? -14.207 5.286 0.842 1.00 84.81 ? 23 THR A CG2 1 ATOM 138 N N . PRO A 1 25 ? -12.189 4.002 4.200 1.00 79.92 ? 24 PRO A N 1 ATOM 139 C CA . PRO A 1 25 ? -11.276 2.905 3.835 1.00 79.60 ? 24 PRO A CA 1 ATOM 140 C C . PRO A 1 25 ? -11.524 1.598 4.591 1.00 82.96 ? 24 PRO A C 1 ATOM 141 O O . PRO A 1 25 ? -12.222 1.596 5.605 1.00 82.71 ? 24 PRO A O 1 ATOM 142 C CB . PRO A 1 25 ? -9.900 3.509 4.131 1.00 82.66 ? 24 PRO A CB 1 ATOM 143 C CG . PRO A 1 25 ? -10.140 4.413 5.317 1.00 87.93 ? 24 PRO A CG 1 ATOM 144 C CD . PRO A 1 25 ? -11.594 4.855 5.250 1.00 82.71 ? 24 PRO A CD 1 ATOM 145 N N . CYS A 1 26 ? -10.933 0.489 4.090 1.00 79.03 ? 25 CYS A N 1 ATOM 146 C CA . CYS A 1 26 ? -11.002 -0.868 4.651 1.00 78.51 ? 25 CYS A CA 1 ATOM 147 C C . CYS A 1 26 ? -12.445 -1.344 4.909 1.00 81.55 ? 25 CYS A C 1 ATOM 148 O O . CYS A 1 26 ? -12.830 -1.582 6.058 1.00 81.50 ? 25 CYS A O 1 ATOM 149 C CB . CYS A 1 26 ? -10.116 -1.006 5.891 1.00 79.86 ? 25 CYS A CB 1 ATOM 150 S SG . CYS A 1 26 ? -8.468 -0.268 5.718 1.00 85.06 ? 25 CYS A SG 1 ATOM 151 N N . CYS A 1 27 ? -13.240 -1.455 3.825 1.00 77.20 ? 26 CYS A N 1 ATOM 152 C CA . CYS A 1 27 ? -14.643 -1.889 3.847 1.00 76.50 ? 26 CYS A CA 1 ATOM 153 C C . CYS A 1 27 ? -14.815 -3.263 4.481 1.00 79.56 ? 26 CYS A C 1 ATOM 154 O O . CYS A 1 27 ? -15.675 -3.432 5.348 1.00 79.43 ? 26 CYS A O 1 ATOM 155 C CB . CYS A 1 27 ? -15.242 -1.853 2.444 1.00 76.33 ? 26 CYS A CB 1 ATOM 156 S SG . CYS A 1 27 ? -15.614 -0.191 1.836 1.00 80.44 ? 26 CYS A SG 1 ATOM 157 N N . TYR A 1 28 ? -13.998 -4.239 4.044 1.00 75.29 ? 27 TYR A N 1 ATOM 158 C CA . TYR A 1 28 ? -14.030 -5.615 4.532 1.00 74.78 ? 27 TYR A CA 1 ATOM 159 C C . TYR A 1 28 ? -13.568 -5.738 5.986 1.00 78.78 ? 27 TYR A C 1 ATOM 160 O O . TYR A 1 28 ? -14.137 -6.537 6.727 1.00 78.52 ? 27 TYR A O 1 ATOM 161 C CB . TYR A 1 28 ? -13.219 -6.545 3.611 1.00 75.51 ? 27 TYR A CB 1 ATOM 162 C CG . TYR A 1 28 ? -13.364 -8.011 3.956 1.00 77.06 ? 27 TYR A CG 1 ATOM 163 C CD1 . TYR A 1 28 ? -14.436 -8.758 3.476 1.00 78.61 ? 27 TYR A CD1 1 ATOM 164 C CD2 . TYR A 1 28 ? -12.437 -8.650 4.774 1.00 78.30 ? 27 TYR A CD2 1 ATOM 165 C CE1 . TYR A 1 28 ? -14.583 -10.105 3.804 1.00 79.41 ? 27 TYR A CE1 1 ATOM 166 C CE2 . TYR A 1 28 ? -12.578 -9.993 5.116 1.00 79.20 ? 27 TYR A CE2 1 ATOM 167 C CZ . TYR A 1 28 ? -13.651 -10.718 4.625 1.00 86.04 ? 27 TYR A CZ 1 ATOM 168 O OH . TYR A 1 28 ? -13.785 -12.044 4.952 1.00 87.06 ? 27 TYR A OH 1 ATOM 169 N N . GLU A 1 29 ? -12.530 -4.978 6.383 1.00 75.52 ? 28 GLU A N 1 ATOM 170 C CA . GLU A 1 29 ? -11.993 -5.006 7.747 1.00 76.12 ? 28 GLU A CA 1 ATOM 171 C C . GLU A 1 29 ? -12.995 -4.485 8.778 1.00 80.04 ? 28 GLU A C 1 ATOM 172 O O . GLU A 1 29 ? -13.151 -5.098 9.835 1.00 80.23 ? 28 GLU A O 1 ATOM 173 C CB . GLU A 1 29 ? -10.669 -4.236 7.839 1.00 78.30 ? 28 GLU A CB 1 ATOM 174 C CG . GLU A 1 29 ? -9.465 -5.055 7.407 1.00 89.10 ? 28 GLU A CG 1 ATOM 175 C CD . GLU A 1 29 ? -9.028 -4.940 5.958 1.00 108.65 ? 28 GLU A CD 1 ATOM 176 O OE1 . GLU A 1 29 ? -9.836 -4.506 5.105 1.00 99.74 ? 28 GLU A OE1 1 ATOM 177 O OE2 . GLU A 1 29 ? -7.858 -5.287 5.679 1.00 104.16 ? 28 GLU A OE2 1 ATOM 178 N N . LYS A 1 30 ? -13.685 -3.372 8.455 1.00 76.10 ? 29 LYS A N 1 ATOM 179 C CA . LYS A 1 30 ? -14.682 -2.728 9.315 1.00 76.33 ? 29 LYS A CA 1 ATOM 180 C C . LYS A 1 30 ? -15.919 -3.605 9.530 1.00 79.67 ? 29 LYS A C 1 ATOM 181 O O . LYS A 1 30 ? -16.321 -3.820 10.673 1.00 80.17 ? 29 LYS A O 1 ATOM 182 C CB . LYS A 1 30 ? -15.089 -1.357 8.745 1.00 78.71 ? 29 LYS A CB 1 ATOM 183 C CG . LYS A 1 30 ? -14.055 -0.259 8.956 1.00 94.02 ? 29 LYS A CG 1 ATOM 184 C CD . LYS A 1 30 ? -14.487 1.040 8.293 1.00 104.18 ? 29 LYS A CD 1 ATOM 185 C CE . LYS A 1 30 ? -13.573 2.192 8.632 1.00 116.52 ? 29 LYS A CE 1 ATOM 186 N NZ . LYS A 1 30 ? -13.981 3.438 7.932 1.00 125.74 ? 29 LYS A NZ 1 ATOM 187 N N . GLU A 1 31 ? -16.513 -4.109 8.434 1.00 75.00 ? 30 GLU A N 1 ATOM 188 C CA . GLU A 1 31 ? -17.716 -4.949 8.447 1.00 74.70 ? 30 GLU A CA 1 ATOM 189 C C . GLU A 1 31 ? -17.673 -5.968 7.287 1.00 77.01 ? 30 GLU A C 1 ATOM 190 O O . GLU A 1 31 ? -18.084 -5.642 6.171 1.00 75.92 ? 30 GLU A O 1 ATOM 191 C CB . GLU A 1 31 ? -19.002 -4.088 8.450 1.00 76.53 ? 30 GLU A CB 1 ATOM 192 C CG . GLU A 1 31 ? -18.894 -2.783 7.666 1.00 86.97 ? 30 GLU A CG 1 ATOM 193 C CD . GLU A 1 31 ? -19.584 -1.560 8.242 1.00 109.38 ? 30 GLU A CD 1 ATOM 194 O OE1 . GLU A 1 31 ? -19.326 -0.449 7.725 1.00 104.06 ? 30 GLU A OE1 1 ATOM 195 O OE2 . GLU A 1 31 ? -20.376 -1.700 9.202 1.00 105.18 ? 30 GLU A OE2 1 ATOM 196 N N . PRO A 1 32 ? -17.132 -7.192 7.521 1.00 73.07 ? 31 PRO A N 1 ATOM 197 C CA . PRO A 1 32 ? -17.006 -8.167 6.419 1.00 71.94 ? 31 PRO A CA 1 ATOM 198 C C . PRO A 1 32 ? -18.306 -8.695 5.820 1.00 75.21 ? 31 PRO A C 1 ATOM 199 O O . PRO A 1 32 ? -18.363 -8.890 4.605 1.00 74.09 ? 31 PRO A O 1 ATOM 200 C CB . PRO A 1 32 ? -16.151 -9.286 7.022 1.00 73.91 ? 31 PRO A CB 1 ATOM 201 C CG . PRO A 1 32 ? -16.363 -9.182 8.480 1.00 79.40 ? 31 PRO A CG 1 ATOM 202 C CD . PRO A 1 32 ? -16.562 -7.726 8.776 1.00 75.30 ? 31 PRO A CD 1 ATOM 203 N N . GLU A 1 33 ? -19.337 -8.923 6.659 1.00 72.30 ? 32 GLU A N 1 ATOM 204 C CA . GLU A 1 33 ? -20.633 -9.452 6.229 1.00 72.30 ? 32 GLU A CA 1 ATOM 205 C C . GLU A 1 33 ? -21.366 -8.526 5.254 1.00 75.21 ? 32 GLU A C 1 ATOM 206 O O . GLU A 1 33 ? -21.718 -8.971 4.160 1.00 74.38 ? 32 GLU A O 1 ATOM 207 C CB . GLU A 1 33 ? -21.517 -9.814 7.436 1.00 75.05 ? 32 GLU A CB 1 ATOM 208 C CG . GLU A 1 33 ? -22.601 -10.832 7.112 1.00 86.64 ? 32 GLU A CG 1 ATOM 209 C CD . GLU A 1 33 ? -23.536 -11.193 8.250 1.00 109.82 ? 32 GLU A CD 1 ATOM 210 O OE1 . GLU A 1 33 ? -23.041 -11.546 9.345 1.00 105.62 ? 32 GLU A OE1 1 ATOM 211 O OE2 . GLU A 1 33 ? -24.769 -11.170 8.030 1.00 105.13 ? 32 GLU A OE2 1 ATOM 212 N N . GLU A 1 34 ? -21.572 -7.245 5.631 1.00 71.54 ? 33 GLU A N 1 ATOM 213 C CA . GLU A 1 34 ? -22.271 -6.280 4.777 1.00 70.98 ? 33 GLU A CA 1 ATOM 214 C C . GLU A 1 34 ? -21.498 -5.854 3.521 1.00 72.70 ? 33 GLU A C 1 ATOM 215 O O . GLU A 1 34 ? -22.125 -5.411 2.559 1.00 72.21 ? 33 GLU A O 1 ATOM 216 C CB . GLU A 1 34 ? -22.853 -5.092 5.569 1.00 73.25 ? 33 GLU A CB 1 ATOM 217 C CG . GLU A 1 34 ? -21.840 -4.059 6.022 1.00 84.13 ? 33 GLU A CG 1 ATOM 218 C CD . GLU A 1 34 ? -22.435 -2.844 6.706 1.00 106.66 ? 33 GLU A CD 1 ATOM 219 O OE1 . GLU A 1 34 ? -22.916 -2.981 7.854 1.00 103.14 ? 33 GLU A OE1 1 ATOM 220 O OE2 . GLU A 1 34 ? -22.400 -1.747 6.102 1.00 100.41 ? 33 GLU A OE2 1 ATOM 221 N N . THR A 1 35 ? -20.153 -6.011 3.521 1.00 67.71 ? 34 THR A N 1 ATOM 222 C CA . THR A 1 35 ? -19.294 -5.700 2.371 1.00 66.26 ? 34 THR A CA 1 ATOM 223 C C . THR A 1 35 ? -19.550 -6.733 1.265 1.00 68.78 ? 34 THR A C 1 ATOM 224 O O . THR A 1 35 ? -19.758 -6.348 0.114 1.00 68.08 ? 34 THR A O 1 ATOM 225 C CB . THR A 1 35 ? -17.812 -5.600 2.797 1.00 73.79 ? 34 THR A CB 1 ATOM 226 O OG1 . THR A 1 35 ? -17.683 -4.587 3.794 1.00 74.20 ? 34 THR A OG1 1 ATOM 227 C CG2 . THR A 1 35 ? -16.877 -5.275 1.631 1.00 71.63 ? 34 THR A CG2 1 ATOM 228 N N . LEU A 1 36 ? -19.571 -8.035 1.629 1.00 64.63 ? 35 LEU A N 1 ATOM 229 C CA . LEU A 1 36 ? -19.827 -9.142 0.702 1.00 63.84 ? 35 LEU A CA 1 ATOM 230 C C . LEU A 1 36 ? -21.257 -9.113 0.174 1.00 67.42 ? 35 LEU A C 1 ATOM 231 O O . LEU A 1 36 ? -21.465 -9.386 -1.009 1.00 66.74 ? 35 LEU A O 1 ATOM 232 C CB . LEU A 1 36 ? -19.518 -10.505 1.345 1.00 64.01 ? 35 LEU A CB 1 ATOM 233 C CG . LEU A 1 36 ? -18.075 -10.764 1.793 1.00 68.31 ? 35 LEU A CG 1 ATOM 234 C CD1 . LEU A 1 36 ? -17.959 -12.119 2.431 1.00 68.74 ? 35 LEU A CD1 1 ATOM 235 C CD2 . LEU A 1 36 ? -17.094 -10.664 0.635 1.00 70.15 ? 35 LEU A CD2 1 ATOM 236 N N . ARG A 1 37 ? -22.231 -8.753 1.041 1.00 64.34 ? 36 ARG A N 1 ATOM 237 C CA . ARG A 1 37 ? -23.650 -8.625 0.689 1.00 64.80 ? 36 ARG A CA 1 ATOM 238 C C . ARG A 1 37 ? -23.825 -7.534 -0.374 1.00 67.63 ? 36 ARG A C 1 ATOM 239 O O . ARG A 1 37 ? -24.550 -7.742 -1.346 1.00 67.52 ? 36 ARG A O 1 ATOM 240 C CB . ARG A 1 37 ? -24.504 -8.305 1.932 1.00 66.42 ? 36 ARG A CB 1 ATOM 241 C CG . ARG A 1 37 ? -24.741 -9.486 2.871 1.00 78.54 ? 36 ARG A CG 1 ATOM 242 C CD . ARG A 1 37 ? -26.031 -10.224 2.569 1.00 91.73 ? 36 ARG A CD 1 ATOM 243 N NE . ARG A 1 37 ? -26.346 -11.214 3.602 1.00 102.92 ? 36 ARG A NE 1 ATOM 244 C CZ . ARG A 1 37 ? -27.164 -10.998 4.628 1.00 119.13 ? 36 ARG A CZ 1 ATOM 245 N NH1 . ARG A 1 37 ? -27.766 -9.823 4.773 1.00 107.22 ? 36 ARG A NH1 1 ATOM 246 N NH2 . ARG A 1 37 ? -27.389 -11.956 5.517 1.00 106.90 ? 36 ARG A NH2 1 ATOM 247 N N . MET A 1 38 ? -23.119 -6.395 -0.198 1.00 63.15 ? 37 MET A N 1 ATOM 248 C CA . MET A 1 38 ? -23.105 -5.245 -1.107 1.00 62.43 ? 37 MET A CA 1 ATOM 249 C C . MET A 1 38 ? -22.533 -5.656 -2.471 1.00 65.18 ? 37 MET A C 1 ATOM 250 O O . MET A 1 38 ? -23.101 -5.287 -3.500 1.00 64.91 ? 37 MET A O 1 ATOM 251 C CB . MET A 1 38 ? -22.285 -4.099 -0.484 1.00 64.40 ? 37 MET A CB 1 ATOM 252 C CG . MET A 1 38 ? -22.200 -2.847 -1.336 1.00 67.84 ? 37 MET A CG 1 ATOM 253 S SD . MET A 1 38 ? -21.063 -1.607 -0.660 1.00 71.78 ? 37 MET A SD 1 ATOM 254 C CE . MET A 1 38 ? -19.493 -2.413 -0.923 1.00 67.80 ? 37 MET A CE 1 ATOM 255 N N . LEU A 1 39 ? -21.425 -6.429 -2.469 1.00 60.85 ? 38 LEU A N 1 ATOM 256 C CA . LEU A 1 39 ? -20.766 -6.928 -3.680 1.00 60.13 ? 38 LEU A CA 1 ATOM 257 C C . LEU A 1 39 ? -21.671 -7.899 -4.441 1.00 64.33 ? 38 LEU A C 1 ATOM 258 O O . LEU A 1 39 ? -21.745 -7.823 -5.667 1.00 63.93 ? 38 LEU A O 1 ATOM 259 C CB . LEU A 1 39 ? -19.413 -7.589 -3.346 1.00 59.70 ? 38 LEU A CB 1 ATOM 260 C CG . LEU A 1 39 ? -18.276 -6.655 -2.912 1.00 64.03 ? 38 LEU A CG 1 ATOM 261 C CD1 . LEU A 1 39 ? -17.179 -7.421 -2.199 1.00 64.07 ? 38 LEU A CD1 1 ATOM 262 C CD2 . LEU A 1 39 ? -17.701 -5.892 -4.088 1.00 66.23 ? 38 LEU A CD2 1 ATOM 263 N N . GLU A 1 40 ? -22.391 -8.775 -3.705 1.00 61.30 ? 39 GLU A N 1 ATOM 264 C CA . GLU A 1 40 ? -23.332 -9.757 -4.255 1.00 61.76 ? 39 GLU A CA 1 ATOM 265 C C . GLU A 1 40 ? -24.511 -9.090 -4.968 1.00 66.43 ? 39 GLU A C 1 ATOM 266 O O . GLU A 1 40 ? -25.000 -9.625 -5.963 1.00 66.52 ? 39 GLU A O 1 ATOM 267 C CB . GLU A 1 40 ? -23.845 -10.696 -3.153 1.00 63.70 ? 39 GLU A CB 1 ATOM 268 C CG . GLU A 1 40 ? -22.863 -11.792 -2.773 1.00 73.15 ? 39 GLU A CG 1 ATOM 269 C CD . GLU A 1 40 ? -23.145 -12.513 -1.468 1.00 91.98 ? 39 GLU A CD 1 ATOM 270 O OE1 . GLU A 1 40 ? -23.619 -11.865 -0.507 1.00 84.49 ? 39 GLU A OE1 1 ATOM 271 O OE2 . GLU A 1 40 ? -22.862 -13.730 -1.400 1.00 85.61 ? 39 GLU A OE2 1 ATOM 272 N N . ASP A 1 41 ? -24.955 -7.921 -4.466 1.00 63.20 ? 40 ASP A N 1 ATOM 273 C CA . ASP A 1 41 ? -26.062 -7.149 -5.035 1.00 63.85 ? 40 ASP A CA 1 ATOM 274 C C . ASP A 1 41 ? -25.671 -6.395 -6.314 1.00 67.10 ? 40 ASP A C 1 ATOM 275 O O . ASP A 1 41 ? -26.556 -5.915 -7.027 1.00 67.48 ? 40 ASP A O 1 ATOM 276 C CB . ASP A 1 41 ? -26.624 -6.161 -3.993 1.00 66.21 ? 40 ASP A CB 1 ATOM 277 C CG . ASP A 1 41 ? -27.236 -6.795 -2.756 1.00 77.46 ? 40 ASP A CG 1 ATOM 278 O OD1 . ASP A 1 41 ? -27.874 -7.865 -2.886 1.00 78.87 ? 40 ASP A OD1 1 ATOM 279 O OD2 . ASP A 1 41 ? -27.109 -6.202 -1.664 1.00 83.43 ? 40 ASP A OD2 1 ATOM 280 N N . ASN A 1 42 ? -24.357 -6.287 -6.600 1.00 62.46 ? 41 ASN A N 1 ATOM 281 C CA . ASN A 1 42 ? -23.838 -5.557 -7.759 1.00 61.85 ? 41 ASN A CA 1 ATOM 282 C C . ASN A 1 42 ? -23.109 -6.406 -8.819 1.00 65.27 ? 41 ASN A C 1 ATOM 283 O O . ASN A 1 42 ? -22.384 -5.840 -9.639 1.00 64.58 ? 41 ASN A O 1 ATOM 284 C CB . ASN A 1 42 ? -22.972 -4.381 -7.297 1.00 61.81 ? 41 ASN A CB 1 ATOM 285 C CG . ASN A 1 42 ? -23.754 -3.279 -6.630 1.00 83.36 ? 41 ASN A CG 1 ATOM 286 O OD1 . ASN A 1 42 ? -24.349 -2.421 -7.288 1.00 78.01 ? 41 ASN A OD1 1 ATOM 287 N ND2 . ASN A 1 42 ? -23.761 -3.272 -5.308 1.00 74.56 ? 41 ASN A ND2 1 ATOM 288 N N . VAL A 1 43 ? -23.324 -7.739 -8.837 1.00 61.99 ? 42 VAL A N 1 ATOM 289 C CA . VAL A 1 43 ? -22.686 -8.636 -9.820 1.00 61.76 ? 42 VAL A CA 1 ATOM 290 C C . VAL A 1 43 ? -23.094 -8.396 -11.271 1.00 66.30 ? 42 VAL A C 1 ATOM 291 O O . VAL A 1 43 ? -22.258 -8.531 -12.166 1.00 65.80 ? 42 VAL A O 1 ATOM 292 C CB . VAL A 1 43 ? -22.706 -10.140 -9.457 1.00 65.81 ? 42 VAL A CB 1 ATOM 293 C CG1 . VAL A 1 43 ? -21.678 -10.451 -8.385 1.00 64.83 ? 42 VAL A CG1 1 ATOM 294 C CG2 . VAL A 1 43 ? -24.099 -10.619 -9.053 1.00 66.53 ? 42 VAL A CG2 1 ATOM 295 N N . MET A 1 44 ? -24.371 -8.045 -11.500 1.00 63.78 ? 43 MET A N 1 ATOM 296 C CA . MET A 1 44 ? -24.917 -7.779 -12.835 1.00 64.53 ? 43 MET A CA 1 ATOM 297 C C . MET A 1 44 ? -24.537 -6.383 -13.346 1.00 68.03 ? 43 MET A C 1 ATOM 298 O O . MET A 1 44 ? -24.609 -6.136 -14.552 1.00 68.20 ? 43 MET A O 1 ATOM 299 C CB . MET A 1 44 ? -26.447 -7.980 -12.860 1.00 68.18 ? 43 MET A CB 1 ATOM 300 C CG . MET A 1 44 ? -26.899 -9.380 -12.468 1.00 72.42 ? 43 MET A CG 1 ATOM 301 S SD . MET A 1 44 ? -26.319 -10.681 -13.582 1.00 76.95 ? 43 MET A SD 1 ATOM 302 C CE . MET A 1 44 ? -26.722 -12.114 -12.622 1.00 74.05 ? 43 MET A CE 1 ATOM 303 N N . ARG A 1 45 ? -24.125 -5.481 -12.427 1.00 63.75 ? 44 ARG A N 1 ATOM 304 C CA . ARG A 1 45 ? -23.718 -4.103 -12.719 1.00 63.27 ? 44 ARG A CA 1 ATOM 305 C C . ARG A 1 45 ? -22.387 -4.060 -13.492 1.00 66.68 ? 44 ARG A C 1 ATOM 306 O O . ARG A 1 45 ? -21.453 -4.777 -13.119 1.00 65.63 ? 44 ARG A O 1 ATOM 307 C CB . ARG A 1 45 ? -23.612 -3.277 -11.424 1.00 62.95 ? 44 ARG A CB 1 ATOM 308 C CG . ARG A 1 45 ? -24.944 -3.054 -10.708 1.00 74.71 ? 44 ARG A CG 1 ATOM 309 C CD . ARG A 1 45 ? -25.461 -1.636 -10.869 1.00 86.31 ? 44 ARG A CD 1 ATOM 310 N NE . ARG A 1 45 ? -25.992 -1.388 -12.211 1.00 96.64 ? 44 ARG A NE 1 ATOM 311 C CZ . ARG A 1 45 ? -26.490 -0.225 -12.617 1.00 111.55 ? 44 ARG A CZ 1 ATOM 312 N NH1 . ARG A 1 45 ? -26.532 0.813 -11.790 1.00 98.44 ? 44 ARG A NH1 1 ATOM 313 N NH2 . ARG A 1 45 ? -26.948 -0.089 -13.854 1.00 99.58 ? 44 ARG A NH2 1 ATOM 314 N N . PRO A 1 46 ? -22.273 -3.219 -14.554 1.00 63.71 ? 45 PRO A N 1 ATOM 315 C CA . PRO A 1 46 ? -21.014 -3.163 -15.327 1.00 63.56 ? 45 PRO A CA 1 ATOM 316 C C . PRO A 1 46 ? -19.778 -2.706 -14.548 1.00 66.61 ? 45 PRO A C 1 ATOM 317 O O . PRO A 1 46 ? -18.662 -3.084 -14.907 1.00 66.39 ? 45 PRO A O 1 ATOM 318 C CB . PRO A 1 46 ? -21.341 -2.202 -16.477 1.00 66.14 ? 45 PRO A CB 1 ATOM 319 C CG . PRO A 1 46 ? -22.832 -2.168 -16.548 1.00 71.13 ? 45 PRO A CG 1 ATOM 320 C CD . PRO A 1 46 ? -23.286 -2.314 -15.132 1.00 66.01 ? 45 PRO A CD 1 ATOM 321 N N . GLY A 1 47 ? -19.988 -1.914 -13.497 1.00 62.42 ? 46 GLY A N 1 ATOM 322 C CA . GLY A 1 47 ? -18.918 -1.403 -12.648 1.00 61.67 ? 46 GLY A CA 1 ATOM 323 C C . GLY A 1 47 ? -18.654 -2.233 -11.408 1.00 64.60 ? 46 GLY A C 1 ATOM 324 O O . GLY A 1 47 ? -18.210 -1.694 -10.390 1.00 63.77 ? 46 GLY A O 1 ATOM 325 N N . TYR A 1 48 ? -18.905 -3.554 -11.487 1.00 60.94 ? 47 TYR A N 1 ATOM 326 C CA . TYR A 1 48 ? -18.695 -4.483 -10.377 1.00 60.19 ? 47 TYR A CA 1 ATOM 327 C C . TYR A 1 48 ? -17.227 -4.568 -9.940 1.00 64.05 ? 47 TYR A C 1 ATOM 328 O O . TYR A 1 48 ? -16.952 -4.542 -8.738 1.00 63.33 ? 47 TYR A O 1 ATOM 329 C CB . TYR A 1 48 ? -19.258 -5.882 -10.702 1.00 61.32 ? 47 TYR A CB 1 ATOM 330 C CG . TYR A 1 48 ? -18.860 -6.929 -9.684 1.00 62.31 ? 47 TYR A CG 1 ATOM 331 C CD1 . TYR A 1 48 ? -19.522 -7.030 -8.464 1.00 63.98 ? 47 TYR A CD1 1 ATOM 332 C CD2 . TYR A 1 48 ? -17.779 -7.774 -9.912 1.00 62.99 ? 47 TYR A CD2 1 ATOM 333 C CE1 . TYR A 1 48 ? -19.124 -7.955 -7.501 1.00 64.30 ? 47 TYR A CE1 1 ATOM 334 C CE2 . TYR A 1 48 ? -17.368 -8.695 -8.954 1.00 63.55 ? 47 TYR A CE2 1 ATOM 335 C CZ . TYR A 1 48 ? -18.055 -8.796 -7.756 1.00 70.32 ? 47 TYR A CZ 1 ATOM 336 O OH . TYR A 1 48 ? -17.664 -9.719 -6.818 1.00 70.75 ? 47 TYR A OH 1 ATOM 337 N N . TYR A 1 49 ? -16.297 -4.705 -10.907 1.00 61.05 ? 48 TYR A N 1 ATOM 338 C CA . TYR A 1 49 ? -14.867 -4.815 -10.618 1.00 61.06 ? 48 TYR A CA 1 ATOM 339 C C . TYR A 1 49 ? -14.235 -3.547 -10.053 1.00 65.32 ? 48 TYR A C 1 ATOM 340 O O . TYR A 1 49 ? -13.220 -3.636 -9.361 1.00 64.99 ? 48 TYR A O 1 ATOM 341 C CB . TYR A 1 49 ? -14.085 -5.423 -11.790 1.00 62.91 ? 48 TYR A CB 1 ATOM 342 C CG . TYR A 1 49 ? -14.339 -6.907 -11.945 1.00 64.44 ? 48 TYR A CG 1 ATOM 343 C CD1 . TYR A 1 49 ? -13.766 -7.828 -11.071 1.00 66.12 ? 48 TYR A CD1 1 ATOM 344 C CD2 . TYR A 1 49 ? -15.168 -7.391 -12.952 1.00 65.47 ? 48 TYR A CD2 1 ATOM 345 C CE1 . TYR A 1 49 ? -14.010 -9.194 -11.197 1.00 66.77 ? 48 TYR A CE1 1 ATOM 346 C CE2 . TYR A 1 49 ? -15.415 -8.757 -13.092 1.00 66.40 ? 48 TYR A CE2 1 ATOM 347 C CZ . TYR A 1 49 ? -14.832 -9.655 -12.212 1.00 73.24 ? 48 TYR A CZ 1 ATOM 348 O OH . TYR A 1 49 ? -15.067 -11.002 -12.344 1.00 74.05 ? 48 TYR A OH 1 ATOM 349 N N . GLN A 1 50 ? -14.864 -2.378 -10.300 1.00 62.23 ? 49 GLN A N 1 ATOM 350 C CA . GLN A 1 50 ? -14.441 -1.093 -9.745 1.00 62.32 ? 49 GLN A CA 1 ATOM 351 C C . GLN A 1 50 ? -14.819 -1.082 -8.260 1.00 65.97 ? 49 GLN A C 1 ATOM 352 O O . GLN A 1 50 ? -14.051 -0.585 -7.435 1.00 65.69 ? 49 GLN A O 1 ATOM 353 C CB . GLN A 1 50 ? -15.102 0.078 -10.489 1.00 63.93 ? 49 GLN A CB 1 ATOM 354 C CG . GLN A 1 50 ? -14.404 0.439 -11.799 1.00 80.70 ? 49 GLN A CG 1 ATOM 355 C CD . GLN A 1 50 ? -15.011 1.645 -12.480 1.00 100.19 ? 49 GLN A CD 1 ATOM 356 O OE1 . GLN A 1 50 ? -15.087 2.745 -11.920 1.00 95.20 ? 49 GLN A OE1 1 ATOM 357 N NE2 . GLN A 1 50 ? -15.414 1.474 -13.730 1.00 93.35 ? 49 GLN A NE2 1 ATOM 358 N N . LEU A 1 51 ? -15.986 -1.682 -7.926 1.00 62.41 ? 50 LEU A N 1 ATOM 359 C CA . LEU A 1 51 ? -16.489 -1.821 -6.559 1.00 62.04 ? 50 LEU A CA 1 ATOM 360 C C . LEU A 1 51 ? -15.684 -2.872 -5.789 1.00 66.31 ? 50 LEU A C 1 ATOM 361 O O . LEU A 1 51 ? -15.363 -2.642 -4.622 1.00 65.92 ? 50 LEU A O 1 ATOM 362 C CB . LEU A 1 51 ? -18.000 -2.148 -6.554 1.00 61.97 ? 50 LEU A CB 1 ATOM 363 C CG . LEU A 1 51 ? -18.694 -2.332 -5.190 1.00 66.60 ? 50 LEU A CG 1 ATOM 364 C CD1 . LEU A 1 51 ? -18.726 -1.038 -4.391 1.00 66.94 ? 50 LEU A CD1 1 ATOM 365 C CD2 . LEU A 1 51 ? -20.099 -2.855 -5.366 1.00 69.35 ? 50 LEU A CD2 1 ATOM 366 N N . LEU A 1 52 ? -15.348 -4.009 -6.445 1.00 63.23 ? 51 LEU A N 1 ATOM 367 C CA . LEU A 1 52 ? -14.558 -5.104 -5.865 1.00 63.17 ? 51 LEU A CA 1 ATOM 368 C C . LEU A 1 52 ? -13.164 -4.617 -5.465 1.00 68.03 ? 51 LEU A C 1 ATOM 369 O O . LEU A 1 52 ? -12.684 -4.956 -4.380 1.00 67.55 ? 51 LEU A O 1 ATOM 370 C CB . LEU A 1 52 ? -14.434 -6.279 -6.859 1.00 63.30 ? 51 LEU A CB 1 ATOM 371 C CG . LEU A 1 52 ? -14.835 -7.698 -6.408 1.00 67.75 ? 51 LEU A CG 1 ATOM 372 C CD1 . LEU A 1 52 ? -14.129 -8.740 -7.245 1.00 68.20 ? 51 LEU A CD1 1 ATOM 373 C CD2 . LEU A 1 52 ? -14.520 -7.962 -4.947 1.00 69.99 ? 51 LEU A CD2 1 ATOM 374 N N . GLN A 1 53 ? -12.532 -3.803 -6.340 1.00 65.68 ? 52 GLN A N 1 ATOM 375 C CA . GLN A 1 53 ? -11.206 -3.223 -6.136 1.00 66.50 ? 52 GLN A CA 1 ATOM 376 C C . GLN A 1 53 ? -11.198 -2.295 -4.917 1.00 70.83 ? 52 GLN A C 1 ATOM 377 O O . GLN A 1 53 ? -10.356 -2.469 -4.040 1.00 70.74 ? 52 GLN A O 1 ATOM 378 C CB . GLN A 1 53 ? -10.741 -2.481 -7.403 1.00 68.62 ? 52 GLN A CB 1 ATOM 379 C CG . GLN A 1 53 ? -9.251 -2.152 -7.424 1.00 86.15 ? 52 GLN A CG 1 ATOM 380 C CD . GLN A 1 53 ? -8.837 -1.467 -8.702 1.00 107.67 ? 52 GLN A CD 1 ATOM 381 O OE1 . GLN A 1 53 ? -9.262 -0.346 -9.009 1.00 103.91 ? 52 GLN A OE1 1 ATOM 382 N NE2 . GLN A 1 53 ? -7.974 -2.118 -9.467 1.00 100.71 ? 52 GLN A NE2 1 ATOM 383 N N . ALA A 1 54 ? -12.156 -1.351 -4.846 1.00 67.55 ? 53 ALA A N 1 ATOM 384 C CA . ALA A 1 54 ? -12.283 -0.381 -3.754 1.00 67.74 ? 53 ALA A CA 1 ATOM 385 C C . ALA A 1 54 ? -12.642 -1.001 -2.399 1.00 71.85 ? 53 ALA A C 1 ATOM 386 O O . ALA A 1 54 ? -12.111 -0.562 -1.377 1.00 71.91 ? 53 ALA A O 1 ATOM 387 C CB . ALA A 1 54 ? -13.292 0.691 -4.122 1.00 68.29 ? 53 ALA A CB 1 ATOM 388 N N . SER A 1 55 ? -13.537 -2.010 -2.391 1.00 68.21 ? 54 SER A N 1 ATOM 389 C CA . SER A 1 55 ? -13.991 -2.689 -1.172 1.00 68.06 ? 54 SER A CA 1 ATOM 390 C C . SER A 1 55 ? -12.920 -3.571 -0.531 1.00 72.89 ? 54 SER A C 1 ATOM 391 O O . SER A 1 55 ? -12.905 -3.704 0.694 1.00 72.61 ? 54 SER A O 1 ATOM 392 C CB . SER A 1 55 ? -15.252 -3.503 -1.441 1.00 71.04 ? 54 SER A CB 1 ATOM 393 O OG . SER A 1 55 ? -16.291 -2.685 -1.953 1.00 79.57 ? 54 SER A OG 1 ATOM 394 N N . LEU A 1 56 ? -12.041 -4.181 -1.348 1.00 70.25 ? 55 LEU A N 1 ATOM 395 C CA . LEU A 1 56 ? -10.979 -5.058 -0.851 1.00 70.78 ? 55 LEU A CA 1 ATOM 396 C C . LEU A 1 56 ? -9.586 -4.397 -0.790 1.00 76.61 ? 55 LEU A C 1 ATOM 397 O O . LEU A 1 56 ? -8.565 -5.090 -0.781 1.00 76.70 ? 55 LEU A O 1 ATOM 398 C CB . LEU A 1 56 ? -10.973 -6.426 -1.570 1.00 70.47 ? 55 LEU A CB 1 ATOM 399 C CG . LEU A 1 56 ? -12.248 -7.287 -1.452 1.00 74.43 ? 55 LEU A CG 1 ATOM 400 C CD1 . LEU A 1 56 ? -12.135 -8.529 -2.292 1.00 74.50 ? 55 LEU A CD1 1 ATOM 401 C CD2 . LEU A 1 56 ? -12.534 -7.696 -0.009 1.00 76.86 ? 55 LEU A CD2 1 ATOM 402 N N . THR A 1 57 ? -9.562 -3.051 -0.709 1.00 74.40 ? 56 THR A N 1 ATOM 403 C CA . THR A 1 57 ? -8.351 -2.239 -0.559 1.00 75.82 ? 56 THR A CA 1 ATOM 404 C C . THR A 1 57 ? -8.379 -1.637 0.843 1.00 81.02 ? 56 THR A C 1 ATOM 405 O O . THR A 1 57 ? -9.406 -1.086 1.250 1.00 80.03 ? 56 THR A O 1 ATOM 406 C CB . THR A 1 57 ? -8.258 -1.143 -1.646 1.00 84.26 ? 56 THR A CB 1 ATOM 407 O OG1 . THR A 1 57 ? -8.271 -1.750 -2.931 1.00 83.62 ? 56 THR A OG1 1 ATOM 408 C CG2 . THR A 1 57 ? -6.989 -0.298 -1.528 1.00 84.40 ? 56 THR A CG2 1 ATOM 409 N N . CYS A 1 58 ? -7.256 -1.750 1.575 1.00 79.50 ? 57 CYS A N 1 ATOM 410 C CA . CYS A 1 58 ? -7.088 -1.218 2.929 1.00 80.43 ? 57 CYS A CA 1 ATOM 411 C C . CYS A 1 58 ? -5.853 -0.287 2.989 1.00 86.54 ? 57 CYS A C 1 ATOM 412 O O . CYS A 1 58 ? -5.388 0.158 1.935 1.00 86.56 ? 57 CYS A O 1 ATOM 413 C CB . CYS A 1 58 ? -7.008 -2.357 3.946 1.00 80.83 ? 57 CYS A CB 1 ATOM 414 S SG . CYS A 1 58 ? -7.178 -1.844 5.681 1.00 85.53 ? 57 CYS A SG 1 ATOM 415 N N . SER A 1 59 ? -5.351 0.024 4.211 1.00 84.60 ? 58 SER A N 1 ATOM 416 C CA . SER A 1 59 ? -4.203 0.894 4.505 1.00 86.42 ? 58 SER A CA 1 ATOM 417 C C . SER A 1 59 ? -4.418 2.351 4.044 1.00 90.90 ? 58 SER A C 1 ATOM 418 O O . SER A 1 59 ? -4.129 2.684 2.890 1.00 90.65 ? 58 SER A O 1 ATOM 419 C CB . SER A 1 59 ? -2.890 0.300 3.992 1.00 91.17 ? 58 SER A CB 1 ATOM 420 O OG . SER A 1 59 ? -2.596 -0.922 4.647 1.00 99.85 ? 58 SER A OG 1 ATOM 421 N N . PRO A 1 60 ? -4.959 3.228 4.928 1.00 87.80 ? 59 PRO A N 1 ATOM 422 C CA . PRO A 1 60 ? -5.198 4.625 4.520 1.00 91.49 ? 59 PRO A CA 1 ATOM 423 C C . PRO A 1 60 ? -3.930 5.477 4.440 1.00 120.52 ? 59 PRO A C 1 ATOM 424 O O . PRO A 1 60 ? -2.889 5.119 4.988 1.00 82.86 ? 59 PRO A O 1 ATOM 425 C CB . PRO A 1 60 ? -6.171 5.142 5.580 1.00 92.37 ? 59 PRO A CB 1 ATOM 426 C CG . PRO A 1 60 ? -5.876 4.332 6.789 1.00 96.17 ? 59 PRO A CG 1 ATOM 427 C CD . PRO A 1 60 ? -5.377 2.991 6.327 1.00 90.48 ? 59 PRO A CD 1 ATOM 428 N N . ASN B 2 5 ? -2.587 -1.967 -3.152 1.00 70.93 ? 5 ASN B N 1 ATOM 429 C CA . ASN B 2 5 ? -2.591 -3.046 -2.164 1.00 70.19 ? 5 ASN B CA 1 ATOM 430 C C . ASN B 2 5 ? -3.968 -3.724 -1.932 1.00 71.51 ? 5 ASN B C 1 ATOM 431 O O . ASN B 2 5 ? -4.355 -3.990 -0.789 1.00 70.52 ? 5 ASN B O 1 ATOM 432 C CB . ASN B 2 5 ? -1.891 -2.624 -0.856 1.00 72.72 ? 5 ASN B CB 1 ATOM 433 C CG . ASN B 2 5 ? -2.603 -1.560 -0.050 1.00 97.93 ? 5 ASN B CG 1 ATOM 434 O OD1 . ASN B 2 5 ? -2.796 -0.425 -0.497 1.00 93.06 ? 5 ASN B OD1 1 ATOM 435 N ND2 . ASN B 2 5 ? -2.947 -1.885 1.189 1.00 89.91 ? 5 ASN B ND2 1 ATOM 436 N N . PHE B 2 6 ? -4.683 -4.025 -3.034 1.00 66.75 ? 6 PHE B N 1 ATOM 437 C CA . PHE B 2 6 ? -5.978 -4.718 -3.064 1.00 64.67 ? 6 PHE B CA 1 ATOM 438 C C . PHE B 2 6 ? -5.708 -6.226 -3.009 1.00 67.52 ? 6 PHE B C 1 ATOM 439 O O . PHE B 2 6 ? -4.868 -6.716 -3.765 1.00 67.88 ? 6 PHE B O 1 ATOM 440 C CB . PHE B 2 6 ? -6.746 -4.307 -4.345 1.00 65.99 ? 6 PHE B CB 1 ATOM 441 C CG . PHE B 2 6 ? -7.536 -5.348 -5.108 1.00 66.75 ? 6 PHE B CG 1 ATOM 442 C CD1 . PHE B 2 6 ? -8.793 -5.750 -4.671 1.00 68.68 ? 6 PHE B CD1 1 ATOM 443 C CD2 . PHE B 2 6 ? -7.064 -5.856 -6.313 1.00 69.57 ? 6 PHE B CD2 1 ATOM 444 C CE1 . PHE B 2 6 ? -9.539 -6.684 -5.398 1.00 69.02 ? 6 PHE B CE1 1 ATOM 445 C CE2 . PHE B 2 6 ? -7.809 -6.792 -7.037 1.00 71.75 ? 6 PHE B CE2 1 ATOM 446 C CZ . PHE B 2 6 ? -9.041 -7.199 -6.575 1.00 68.64 ? 6 PHE B CZ 1 ATOM 447 N N . ASN B 2 7 ? -6.401 -6.951 -2.112 1.00 62.64 ? 7 ASN B N 1 ATOM 448 C CA . ASN B 2 7 ? -6.235 -8.394 -1.921 1.00 62.08 ? 7 ASN B CA 1 ATOM 449 C C . ASN B 2 7 ? -7.609 -9.079 -1.939 1.00 63.92 ? 7 ASN B C 1 ATOM 450 O O . ASN B 2 7 ? -8.409 -8.888 -1.018 1.00 62.89 ? 7 ASN B O 1 ATOM 451 C CB . ASN B 2 7 ? -5.481 -8.653 -0.596 1.00 63.90 ? 7 ASN B CB 1 ATOM 452 C CG . ASN B 2 7 ? -5.112 -10.086 -0.270 1.00 88.57 ? 7 ASN B CG 1 ATOM 453 O OD1 . ASN B 2 7 ? -5.786 -11.045 -0.638 1.00 82.98 ? 7 ASN B OD1 1 ATOM 454 N ND2 . ASN B 2 7 ? -4.094 -10.253 0.555 1.00 81.55 ? 7 ASN B ND2 1 ATOM 455 N N . VAL B 2 8 ? -7.876 -9.876 -2.989 1.00 59.71 ? 8 VAL B N 1 ATOM 456 C CA . VAL B 2 8 ? -9.132 -10.613 -3.155 1.00 58.29 ? 8 VAL B CA 1 ATOM 457 C C . VAL B 2 8 ? -9.258 -11.800 -2.167 1.00 61.22 ? 8 VAL B C 1 ATOM 458 O O . VAL B 2 8 ? -10.371 -12.211 -1.818 1.00 60.21 ? 8 VAL B O 1 ATOM 459 C CB . VAL B 2 8 ? -9.373 -10.993 -4.643 1.00 62.17 ? 8 VAL B CB 1 ATOM 460 C CG1 . VAL B 2 8 ? -8.620 -12.261 -5.054 1.00 62.44 ? 8 VAL B CG1 1 ATOM 461 C CG2 . VAL B 2 8 ? -10.859 -11.105 -4.951 1.00 61.21 ? 8 VAL B CG2 1 ATOM 462 N N . TYR B 2 9 ? -8.102 -12.309 -1.698 1.00 57.84 ? 9 TYR B N 1 ATOM 463 C CA . TYR B 2 9 ? -7.995 -13.428 -0.765 1.00 57.41 ? 9 TYR B CA 1 ATOM 464 C C . TYR B 2 9 ? -8.396 -13.087 0.684 1.00 60.34 ? 9 TYR B C 1 ATOM 465 O O . TYR B 2 9 ? -8.462 -13.992 1.516 1.00 60.02 ? 9 TYR B O 1 ATOM 466 C CB . TYR B 2 9 ? -6.616 -14.111 -0.876 1.00 59.61 ? 9 TYR B CB 1 ATOM 467 C CG . TYR B 2 9 ? -6.343 -14.675 -2.256 1.00 61.64 ? 9 TYR B CG 1 ATOM 468 C CD1 . TYR B 2 9 ? -6.832 -15.924 -2.631 1.00 63.24 ? 9 TYR B CD1 1 ATOM 469 C CD2 . TYR B 2 9 ? -5.613 -13.951 -3.195 1.00 63.13 ? 9 TYR B CD2 1 ATOM 470 C CE1 . TYR B 2 9 ? -6.601 -16.440 -3.906 1.00 64.42 ? 9 TYR B CE1 1 ATOM 471 C CE2 . TYR B 2 9 ? -5.373 -14.458 -4.473 1.00 64.43 ? 9 TYR B CE2 1 ATOM 472 C CZ . TYR B 2 9 ? -5.866 -15.705 -4.823 1.00 71.52 ? 9 TYR B CZ 1 ATOM 473 O OH . TYR B 2 9 ? -5.627 -16.211 -6.079 1.00 72.98 ? 9 TYR B OH 1 ATOM 474 N N . LYS B 2 10 ? -8.716 -11.796 0.968 1.00 56.63 ? 10 LYS B N 1 ATOM 475 C CA . LYS B 2 10 ? -9.220 -11.313 2.265 1.00 57.88 ? 10 LYS B CA 1 ATOM 476 C C . LYS B 2 10 ? -10.609 -11.914 2.468 1.00 60.26 ? 10 LYS B C 1 ATOM 477 O O . LYS B 2 10 ? -10.945 -12.369 3.562 1.00 60.01 ? 10 LYS B O 1 ATOM 478 C CB . LYS B 2 10 ? -9.426 -9.787 2.228 1.00 62.88 ? 10 LYS B CB 1 ATOM 479 C CG . LYS B 2 10 ? -8.234 -8.921 2.544 1.00 77.63 ? 10 LYS B CG 1 ATOM 480 C CD . LYS B 2 10 ? -8.598 -7.480 2.207 1.00 88.94 ? 10 LYS B CD 1 ATOM 481 C CE . LYS B 2 10 ? -7.579 -6.479 2.683 1.00 102.13 ? 10 LYS B CE 1 ATOM 482 N NZ . LYS B 2 10 ? -7.564 -5.254 1.838 1.00 112.64 ? 10 LYS B NZ 1 ATOM 483 N N . ALA B 2 11 ? -11.415 -11.878 1.388 1.00 55.66 ? 11 ALA B N 1 ATOM 484 C CA . ALA B 2 11 ? -12.797 -12.325 1.321 1.00 54.62 ? 11 ALA B CA 1 ATOM 485 C C . ALA B 2 11 ? -12.931 -13.819 1.078 1.00 55.93 ? 11 ALA B C 1 ATOM 486 O O . ALA B 2 11 ? -13.814 -14.439 1.666 1.00 55.15 ? 11 ALA B O 1 ATOM 487 C CB . ALA B 2 11 ? -13.525 -11.553 0.237 1.00 55.98 ? 11 ALA B CB 1 ATOM 488 N N . THR B 2 12 ? -12.076 -14.394 0.208 1.00 50.99 ? 12 THR B N 1 ATOM 489 C CA . THR B 2 12 ? -12.105 -15.821 -0.125 1.00 48.81 ? 12 THR B CA 1 ATOM 490 C C . THR B 2 12 ? -11.345 -16.657 0.908 1.00 52.24 ? 12 THR B C 1 ATOM 491 O O . THR B 2 12 ? -10.581 -16.109 1.707 1.00 53.00 ? 12 THR B O 1 ATOM 492 C CB . THR B 2 12 ? -11.645 -16.073 -1.570 1.00 56.03 ? 12 THR B CB 1 ATOM 493 O OG1 . THR B 2 12 ? -10.258 -15.764 -1.695 1.00 56.18 ? 12 THR B OG1 1 ATOM 494 C CG2 . THR B 2 12 ? -12.464 -15.300 -2.600 1.00 55.27 ? 12 THR B CG2 1 ATOM 495 N N . ARG B 2 13 ? -11.569 -17.982 0.900 1.00 47.47 ? 13 ARG B N 1 ATOM 496 C CA . ARG B 2 13 ? -10.932 -18.910 1.834 1.00 47.20 ? 13 ARG B CA 1 ATOM 497 C C . ARG B 2 13 ? -10.763 -20.321 1.240 1.00 49.39 ? 13 ARG B C 1 ATOM 498 O O . ARG B 2 13 ? -11.584 -20.720 0.406 1.00 48.02 ? 13 ARG B O 1 ATOM 499 C CB . ARG B 2 13 ? -11.723 -18.973 3.168 1.00 48.46 ? 13 ARG B CB 1 ATOM 500 C CG . ARG B 2 13 ? -13.128 -19.582 3.072 1.00 57.78 ? 13 ARG B CG 1 ATOM 501 C CD . ARG B 2 13 ? -13.683 -19.948 4.434 1.00 67.97 ? 13 ARG B CD 1 ATOM 502 N NE . ARG B 2 13 ? -14.771 -20.923 4.335 1.00 75.26 ? 13 ARG B NE 1 ATOM 503 C CZ . ARG B 2 13 ? -15.367 -21.495 5.377 1.00 89.72 ? 13 ARG B CZ 1 ATOM 504 N NH1 . ARG B 2 13 ? -14.984 -21.201 6.614 1.00 78.70 ? 13 ARG B NH1 1 ATOM 505 N NH2 . ARG B 2 13 ? -16.339 -22.376 5.191 1.00 75.48 ? 13 ARG B NH2 1 ATOM 506 N N . PRO B 2 14 ? -9.755 -21.119 1.687 1.00 45.86 ? 14 PRO B N 1 ATOM 507 C CA . PRO B 2 14 ? -9.664 -22.508 1.200 1.00 44.80 ? 14 PRO B CA 1 ATOM 508 C C . PRO B 2 14 ? -10.783 -23.342 1.836 1.00 48.85 ? 14 PRO B C 1 ATOM 509 O O . PRO B 2 14 ? -11.321 -22.942 2.870 1.00 49.43 ? 14 PRO B O 1 ATOM 510 C CB . PRO B 2 14 ? -8.277 -22.955 1.659 1.00 47.12 ? 14 PRO B CB 1 ATOM 511 C CG . PRO B 2 14 ? -7.998 -22.140 2.866 1.00 52.95 ? 14 PRO B CG 1 ATOM 512 C CD . PRO B 2 14 ? -8.706 -20.828 2.690 1.00 48.58 ? 14 PRO B CD 1 ATOM 513 N N . TYR B 2 15 ? -11.163 -24.470 1.220 1.00 44.62 ? 15 TYR B N 1 ATOM 514 C CA . TYR B 2 15 ? -12.276 -25.268 1.742 1.00 44.88 ? 15 TYR B CA 1 ATOM 515 C C . TYR B 2 15 ? -12.111 -26.781 1.629 1.00 49.33 ? 15 TYR B C 1 ATOM 516 O O . TYR B 2 15 ? -11.180 -27.262 0.980 1.00 48.55 ? 15 TYR B O 1 ATOM 517 C CB . TYR B 2 15 ? -13.606 -24.813 1.108 1.00 45.50 ? 15 TYR B CB 1 ATOM 518 C CG . TYR B 2 15 ? -13.655 -24.947 -0.400 1.00 45.95 ? 15 TYR B CG 1 ATOM 519 C CD1 . TYR B 2 15 ? -13.142 -23.951 -1.226 1.00 47.12 ? 15 TYR B CD1 1 ATOM 520 C CD2 . TYR B 2 15 ? -14.235 -26.060 -1.002 1.00 46.69 ? 15 TYR B CD2 1 ATOM 521 C CE1 . TYR B 2 15 ? -13.184 -24.069 -2.613 1.00 47.10 ? 15 TYR B CE1 1 ATOM 522 C CE2 . TYR B 2 15 ? -14.285 -26.188 -2.388 1.00 46.84 ? 15 TYR B CE2 1 ATOM 523 C CZ . TYR B 2 15 ? -13.757 -25.189 -3.189 1.00 53.50 ? 15 TYR B CZ 1 ATOM 524 O OH . TYR B 2 15 ? -13.799 -25.306 -4.555 1.00 54.46 ? 15 TYR B OH 1 ATOM 525 N N . LEU B 2 16 ? -13.028 -27.523 2.280 1.00 47.05 ? 16 LEU B N 1 ATOM 526 C CA . LEU B 2 16 ? -13.107 -28.981 2.255 1.00 47.78 ? 16 LEU B CA 1 ATOM 527 C C . LEU B 2 16 ? -14.246 -29.363 1.312 1.00 51.61 ? 16 LEU B C 1 ATOM 528 O O . LEU B 2 16 ? -15.359 -28.846 1.446 1.00 51.38 ? 16 LEU B O 1 ATOM 529 C CB . LEU B 2 16 ? -13.373 -29.553 3.662 1.00 49.63 ? 16 LEU B CB 1 ATOM 530 C CG . LEU B 2 16 ? -12.226 -29.506 4.672 1.00 55.17 ? 16 LEU B CG 1 ATOM 531 C CD1 . LEU B 2 16 ? -12.756 -29.543 6.090 1.00 57.05 ? 16 LEU B CD1 1 ATOM 532 C CD2 . LEU B 2 16 ? -11.252 -30.654 4.463 1.00 58.46 ? 16 LEU B CD2 1 ATOM 533 N N . ALA B 2 17 ? -13.960 -30.239 0.341 1.00 48.16 ? 17 ALA B N 1 ATOM 534 C CA . ALA B 2 17 ? -14.940 -30.697 -0.643 1.00 48.25 ? 17 ALA B CA 1 ATOM 535 C C . ALA B 2 17 ? -14.772 -32.186 -0.937 1.00 53.71 ? 17 ALA B C 1 ATOM 536 O O . ALA B 2 17 ? -13.719 -32.756 -0.639 1.00 53.75 ? 17 ALA B O 1 ATOM 537 C CB . ALA B 2 17 ? -14.816 -29.882 -1.923 1.00 47.47 ? 17 ALA B CB 1 ATOM 538 N N . HIS B 2 18 ? -15.817 -32.815 -1.511 1.00 51.42 ? 18 HIS B N 1 ATOM 539 C CA . HIS B 2 18 ? -15.828 -34.237 -1.848 1.00 53.02 ? 18 HIS B CA 1 ATOM 540 C C . HIS B 2 18 ? -14.779 -34.621 -2.887 1.00 56.93 ? 18 HIS B C 1 ATOM 541 O O . HIS B 2 18 ? -14.603 -33.928 -3.890 1.00 54.86 ? 18 HIS B O 1 ATOM 542 C CB . HIS B 2 18 ? -17.231 -34.696 -2.292 1.00 55.12 ? 18 HIS B CB 1 ATOM 543 C CG . HIS B 2 18 ? -17.255 -36.068 -2.897 1.00 60.28 ? 18 HIS B CG 1 ATOM 544 N ND1 . HIS B 2 18 ? -17.462 -36.254 -4.252 1.00 61.91 ? 18 HIS B ND1 1 ATOM 545 C CD2 . HIS B 2 18 ? -17.022 -37.270 -2.322 1.00 64.11 ? 18 HIS B CD2 1 ATOM 546 C CE1 . HIS B 2 18 ? -17.388 -37.560 -4.450 1.00 63.42 ? 18 HIS B CE1 1 ATOM 547 N NE2 . HIS B 2 18 ? -17.125 -38.213 -3.319 1.00 65.19 ? 18 HIS B NE2 1 ATOM 548 N N . CYS B 2 19 ? -14.095 -35.740 -2.627 1.00 55.65 ? 19 CYS B N 1 ATOM 549 C CA . CYS B 2 19 ? -13.093 -36.340 -3.496 1.00 55.85 ? 19 CYS B CA 1 ATOM 550 C C . CYS B 2 19 ? -13.379 -37.847 -3.560 1.00 62.19 ? 19 CYS B C 1 ATOM 551 O O . CYS B 2 19 ? -13.526 -38.470 -2.505 1.00 63.57 ? 19 CYS B O 1 ATOM 552 C CB . CYS B 2 19 ? -11.684 -36.054 -2.986 1.00 55.71 ? 19 CYS B CB 1 ATOM 553 S SG . CYS B 2 19 ? -10.370 -36.783 -3.995 1.00 60.07 ? 19 CYS B SG 1 ATOM 554 N N . PRO B 2 20 ? -13.502 -38.450 -4.768 1.00 59.20 ? 20 PRO B N 1 ATOM 555 C CA . PRO B 2 20 ? -13.812 -39.890 -4.837 1.00 61.98 ? 20 PRO B CA 1 ATOM 556 C C . PRO B 2 20 ? -12.677 -40.818 -4.399 1.00 67.30 ? 20 PRO B C 1 ATOM 557 O O . PRO B 2 20 ? -12.951 -41.937 -3.962 1.00 69.76 ? 20 PRO B O 1 ATOM 558 C CB . PRO B 2 20 ? -14.191 -40.102 -6.303 1.00 63.90 ? 20 PRO B CB 1 ATOM 559 C CG . PRO B 2 20 ? -13.468 -39.037 -7.036 1.00 65.56 ? 20 PRO B CG 1 ATOM 560 C CD . PRO B 2 20 ? -13.390 -37.855 -6.116 1.00 59.07 ? 20 PRO B CD 1 ATOM 561 N N . ASP B 2 21 ? -11.415 -40.358 -4.514 1.00 62.21 ? 21 ASP B N 1 ATOM 562 C CA . ASP B 2 21 ? -10.232 -41.137 -4.145 1.00 63.53 ? 21 ASP B CA 1 ATOM 563 C C . ASP B 2 21 ? -9.201 -40.285 -3.395 1.00 65.84 ? 21 ASP B C 1 ATOM 564 O O . ASP B 2 21 ? -8.450 -39.523 -4.009 1.00 63.53 ? 21 ASP B O 1 ATOM 565 C CB . ASP B 2 21 ? -9.619 -41.810 -5.395 1.00 66.07 ? 21 ASP B CB 1 ATOM 566 C CG . ASP B 2 21 ? -8.509 -42.831 -5.163 1.00 78.57 ? 21 ASP B CG 1 ATOM 567 O OD1 . ASP B 2 21 ? -8.089 -43.480 -6.143 1.00 80.26 ? 21 ASP B OD1 1 ATOM 568 O OD2 . ASP B 2 21 ? -8.065 -42.986 -4.001 1.00 85.25 ? 21 ASP B OD2 1 ATOM 569 N N . CYS B 2 22 ? -9.165 -40.437 -2.062 1.00 63.54 ? 22 CYS B N 1 ATOM 570 C CA . CYS B 2 22 ? -8.224 -39.744 -1.178 1.00 62.53 ? 22 CYS B CA 1 ATOM 571 C C . CYS B 2 22 ? -7.007 -40.632 -0.869 1.00 68.81 ? 22 CYS B C 1 ATOM 572 O O . CYS B 2 22 ? -6.098 -40.217 -0.144 1.00 68.34 ? 22 CYS B O 1 ATOM 573 C CB . CYS B 2 22 ? -8.925 -39.293 0.100 1.00 62.93 ? 22 CYS B CB 1 ATOM 574 S SG . CYS B 2 22 ? -10.177 -38.009 -0.151 1.00 64.12 ? 22 CYS B SG 1 ATOM 575 N N . GLY B 2 23 ? -7.010 -41.835 -1.440 1.00 67.64 ? 23 GLY B N 1 ATOM 576 C CA . GLY B 2 23 ? -5.983 -42.853 -1.262 1.00 70.21 ? 23 GLY B CA 1 ATOM 577 C C . GLY B 2 23 ? -6.618 -44.213 -1.062 1.00 77.67 ? 23 GLY B C 1 ATOM 578 O O . GLY B 2 23 ? -7.538 -44.350 -0.249 1.00 78.24 ? 23 GLY B O 1 ATOM 579 N N . GLU B 2 24 ? -6.141 -45.224 -1.823 1.00 76.42 ? 24 GLU B N 1 ATOM 580 C CA . GLU B 2 24 ? -6.625 -46.615 -1.821 1.00 80.16 ? 24 GLU B CA 1 ATOM 581 C C . GLU B 2 24 ? -8.097 -46.776 -2.278 1.00 83.81 ? 24 GLU B C 1 ATOM 582 O O . GLU B 2 24 ? -8.765 -47.746 -1.906 1.00 86.65 ? 24 GLU B O 1 ATOM 583 C CB . GLU B 2 24 ? -6.325 -47.341 -0.488 1.00 85.00 ? 24 GLU B CB 1 ATOM 584 C CG . GLU B 2 24 ? -5.221 -48.385 -0.584 1.00 99.12 ? 24 GLU B CG 1 ATOM 585 C CD . GLU B 2 24 ? -3.800 -47.857 -0.528 1.00 118.94 ? 24 GLU B CD 1 ATOM 586 O OE1 . GLU B 2 24 ? -3.436 -47.230 0.493 1.00 113.81 ? 24 GLU B OE1 1 ATOM 587 O OE2 . GLU B 2 24 ? -3.037 -48.104 -1.490 1.00 112.94 ? 24 GLU B OE2 1 ATOM 588 N N . GLY B 2 25 ? -8.561 -45.837 -3.106 1.00 76.85 ? 25 GLY B N 1 ATOM 589 C CA . GLY B 2 25 ? -9.908 -45.825 -3.670 1.00 76.37 ? 25 GLY B CA 1 ATOM 590 C C . GLY B 2 25 ? -11.026 -45.433 -2.722 1.00 79.68 ? 25 GLY B C 1 ATOM 591 O O . GLY B 2 25 ? -12.200 -45.620 -3.055 1.00 79.93 ? 25 GLY B O 1 ATOM 592 N N . HIS B 2 26 ? -10.680 -44.874 -1.545 1.00 75.22 ? 26 HIS B N 1 ATOM 593 C CA . HIS B 2 26 ? -11.652 -44.460 -0.532 1.00 74.84 ? 26 HIS B CA 1 ATOM 594 C C . HIS B 2 26 ? -11.965 -42.967 -0.595 1.00 74.37 ? 26 HIS B C 1 ATOM 595 O O . HIS B 2 26 ? -11.051 -42.143 -0.666 1.00 71.47 ? 26 HIS B O 1 ATOM 596 C CB . HIS B 2 26 ? -11.193 -44.870 0.877 1.00 77.86 ? 26 HIS B CB 1 ATOM 597 C CG . HIS B 2 26 ? -11.060 -46.350 1.057 1.00 85.65 ? 26 HIS B CG 1 ATOM 598 N ND1 . HIS B 2 26 ? -12.166 -47.152 1.275 1.00 90.38 ? 26 HIS B ND1 1 ATOM 599 C CD2 . HIS B 2 26 ? -9.952 -47.127 1.043 1.00 89.51 ? 26 HIS B CD2 1 ATOM 600 C CE1 . HIS B 2 26 ? -11.699 -48.385 1.385 1.00 93.63 ? 26 HIS B CE1 1 ATOM 601 N NE2 . HIS B 2 26 ? -10.373 -48.420 1.253 1.00 93.61 ? 26 HIS B NE2 1 ATOM 602 N N . SER B 2 27 ? -13.265 -42.632 -0.569 1.00 70.46 ? 27 SER B N 1 ATOM 603 C CA . SER B 2 27 ? -13.783 -41.264 -0.617 1.00 67.12 ? 27 SER B CA 1 ATOM 604 C C . SER B 2 27 ? -13.594 -40.540 0.720 1.00 70.13 ? 27 SER B C 1 ATOM 605 O O . SER B 2 27 ? -13.673 -41.176 1.775 1.00 72.12 ? 27 SER B O 1 ATOM 606 C CB . SER B 2 27 ? -15.260 -41.277 -0.999 1.00 71.23 ? 27 SER B CB 1 ATOM 607 O OG . SER B 2 27 ? -15.774 -39.966 -1.161 1.00 77.36 ? 27 SER B OG 1 ATOM 608 N N . CYS B 2 28 ? -13.356 -39.208 0.672 1.00 63.59 ? 28 CYS B N 1 ATOM 609 C CA . CYS B 2 28 ? -13.159 -38.359 1.858 1.00 62.65 ? 28 CYS B CA 1 ATOM 610 C C . CYS B 2 28 ? -13.493 -36.881 1.602 1.00 62.65 ? 28 CYS B C 1 ATOM 611 O O . CYS B 2 28 ? -13.616 -36.461 0.449 1.00 60.44 ? 28 CYS B O 1 ATOM 612 C CB . CYS B 2 28 ? -11.741 -38.517 2.410 1.00 63.60 ? 28 CYS B CB 1 ATOM 613 S SG . CYS B 2 28 ? -10.537 -37.339 1.734 1.00 64.59 ? 28 CYS B SG 1 ATOM 614 N N . HIS B 2 29 ? -13.596 -36.093 2.692 1.00 58.39 ? 29 HIS B N 1 ATOM 615 C CA . HIS B 2 29 ? -13.807 -34.645 2.654 1.00 55.79 ? 29 HIS B CA 1 ATOM 616 C C . HIS B 2 29 ? -12.389 -34.074 2.596 1.00 57.93 ? 29 HIS B C 1 ATOM 617 O O . HIS B 2 29 ? -11.722 -33.929 3.624 1.00 58.23 ? 29 HIS B O 1 ATOM 618 C CB . HIS B 2 29 ? -14.584 -34.164 3.895 1.00 57.33 ? 29 HIS B CB 1 ATOM 619 C CG . HIS B 2 29 ? -15.878 -34.888 4.102 1.00 62.54 ? 29 HIS B CG 1 ATOM 620 N ND1 . HIS B 2 29 ? -17.013 -34.555 3.388 1.00 63.74 ? 29 HIS B ND1 1 ATOM 621 C CD2 . HIS B 2 29 ? -16.165 -35.927 4.921 1.00 66.89 ? 29 HIS B CD2 1 ATOM 622 C CE1 . HIS B 2 29 ? -17.951 -35.395 3.794 1.00 65.44 ? 29 HIS B CE1 1 ATOM 623 N NE2 . HIS B 2 29 ? -17.490 -36.234 4.721 1.00 67.75 ? 29 HIS B NE2 1 ATOM 624 N N . SER B 2 30 ? -11.902 -33.857 1.367 1.00 52.59 ? 30 SER B N 1 ATOM 625 C CA . SER B 2 30 ? -10.535 -33.446 1.060 1.00 51.26 ? 30 SER B CA 1 ATOM 626 C C . SER B 2 30 ? -10.216 -31.945 1.121 1.00 53.12 ? 30 SER B C 1 ATOM 627 O O . SER B 2 30 ? -10.951 -31.140 0.543 1.00 51.41 ? 30 SER B O 1 ATOM 628 C CB . SER B 2 30 ? -10.116 -34.018 -0.292 1.00 54.35 ? 30 SER B CB 1 ATOM 629 O OG . SER B 2 30 ? -8.785 -33.679 -0.641 1.00 62.19 ? 30 SER B OG 1 ATOM 630 N N . PRO B 2 31 ? -9.057 -31.565 1.725 1.00 49.64 ? 31 PRO B N 1 ATOM 631 C CA . PRO B 2 31 ? -8.652 -30.148 1.711 1.00 48.16 ? 31 PRO B CA 1 ATOM 632 C C . PRO B 2 31 ? -7.878 -29.785 0.431 1.00 50.72 ? 31 PRO B C 1 ATOM 633 O O . PRO B 2 31 ? -7.468 -28.636 0.261 1.00 49.41 ? 31 PRO B O 1 ATOM 634 C CB . PRO B 2 31 ? -7.779 -30.023 2.963 1.00 51.20 ? 31 PRO B CB 1 ATOM 635 C CG . PRO B 2 31 ? -7.230 -31.399 3.193 1.00 57.17 ? 31 PRO B CG 1 ATOM 636 C CD . PRO B 2 31 ? -8.056 -32.399 2.425 1.00 52.75 ? 31 PRO B CD 1 ATOM 637 N N . VAL B 2 32 ? -7.692 -30.778 -0.467 1.00 47.45 ? 32 VAL B N 1 ATOM 638 C CA . VAL B 2 32 ? -6.986 -30.695 -1.750 1.00 46.40 ? 32 VAL B CA 1 ATOM 639 C C . VAL B 2 32 ? -7.885 -31.290 -2.881 1.00 50.10 ? 32 VAL B C 1 ATOM 640 O O . VAL B 2 32 ? -7.389 -31.809 -3.887 1.00 49.75 ? 32 VAL B O 1 ATOM 641 C CB . VAL B 2 32 ? -5.563 -31.342 -1.626 1.00 51.28 ? 32 VAL B CB 1 ATOM 642 C CG1 . VAL B 2 32 ? -5.618 -32.857 -1.418 1.00 52.75 ? 32 VAL B CG1 1 ATOM 643 C CG2 . VAL B 2 32 ? -4.650 -30.971 -2.793 1.00 50.21 ? 32 VAL B CG2 1 ATOM 644 N N . ALA B 2 33 ? -9.220 -31.177 -2.705 1.00 46.54 ? 33 ALA B N 1 ATOM 645 C CA . ALA B 2 33 ? -10.228 -31.686 -3.641 1.00 46.34 ? 33 ALA B CA 1 ATOM 646 C C . ALA B 2 33 ? -10.137 -31.046 -5.025 1.00 48.66 ? 33 ALA B C 1 ATOM 647 O O . ALA B 2 33 ? -9.922 -29.837 -5.136 1.00 47.20 ? 33 ALA B O 1 ATOM 648 C CB . ALA B 2 33 ? -11.620 -31.496 -3.065 1.00 47.47 ? 33 ALA B CB 1 ATOM 649 N N . LEU B 2 34 ? -10.282 -31.869 -6.076 1.00 45.47 ? 34 LEU B N 1 ATOM 650 C CA . LEU B 2 34 ? -10.213 -31.417 -7.465 1.00 44.36 ? 34 LEU B CA 1 ATOM 651 C C . LEU B 2 34 ? -11.561 -30.922 -7.955 1.00 47.61 ? 34 LEU B C 1 ATOM 652 O O . LEU B 2 34 ? -12.565 -31.627 -7.823 1.00 48.21 ? 34 LEU B O 1 ATOM 653 C CB . LEU B 2 34 ? -9.660 -32.515 -8.391 1.00 45.24 ? 34 LEU B CB 1 ATOM 654 C CG . LEU B 2 34 ? -8.202 -32.924 -8.169 1.00 50.36 ? 34 LEU B CG 1 ATOM 655 C CD1 . LEU B 2 34 ? -7.850 -34.137 -8.994 1.00 51.77 ? 34 LEU B CD1 1 ATOM 656 C CD2 . LEU B 2 34 ? -7.257 -31.793 -8.501 1.00 51.75 ? 34 LEU B CD2 1 ATOM 657 N N . GLU B 2 35 ? -11.579 -29.700 -8.509 1.00 42.90 ? 35 GLU B N 1 ATOM 658 C CA . GLU B 2 35 ? -12.787 -29.050 -9.010 1.00 42.67 ? 35 GLU B CA 1 ATOM 659 C C . GLU B 2 35 ? -12.964 -29.207 -10.513 1.00 46.71 ? 35 GLU B C 1 ATOM 660 O O . GLU B 2 35 ? -14.000 -29.706 -10.956 1.00 47.49 ? 35 GLU B O 1 ATOM 661 C CB . GLU B 2 35 ? -12.805 -27.559 -8.627 1.00 43.26 ? 35 GLU B CB 1 ATOM 662 C CG . GLU B 2 35 ? -13.083 -27.287 -7.158 1.00 53.45 ? 35 GLU B CG 1 ATOM 663 C CD . GLU B 2 35 ? -14.472 -27.621 -6.645 1.00 72.66 ? 35 GLU B CD 1 ATOM 664 O OE1 . GLU B 2 35 ? -15.433 -27.626 -7.448 1.00 67.52 ? 35 GLU B OE1 1 ATOM 665 O OE2 . GLU B 2 35 ? -14.602 -27.845 -5.420 1.00 65.44 ? 35 GLU B OE2 1 ATOM 666 N N . ARG B 2 36 ? -11.965 -28.761 -11.295 1.00 42.35 ? 36 ARG B N 1 ATOM 667 C CA . ARG B 2 36 ? -11.992 -28.785 -12.756 1.00 42.37 ? 36 ARG B CA 1 ATOM 668 C C . ARG B 2 36 ? -10.576 -28.847 -13.322 1.00 45.87 ? 36 ARG B C 1 ATOM 669 O O . ARG B 2 36 ? -9.688 -28.133 -12.848 1.00 44.93 ? 36 ARG B O 1 ATOM 670 C CB . ARG B 2 36 ? -12.716 -27.525 -13.277 1.00 42.50 ? 36 ARG B CB 1 ATOM 671 C CG . ARG B 2 36 ? -13.017 -27.511 -14.772 1.00 53.85 ? 36 ARG B CG 1 ATOM 672 C CD . ARG B 2 36 ? -13.547 -26.155 -15.196 1.00 63.55 ? 36 ARG B CD 1 ATOM 673 N NE . ARG B 2 36 ? -13.649 -26.030 -16.650 1.00 72.79 ? 36 ARG B NE 1 ATOM 674 C CZ . ARG B 2 36 ? -13.828 -24.880 -17.293 1.00 87.54 ? 36 ARG B CZ 1 ATOM 675 N NH1 . ARG B 2 36 ? -13.915 -23.740 -16.618 1.00 74.27 ? 36 ARG B NH1 1 ATOM 676 N NH2 . ARG B 2 36 ? -13.909 -24.858 -18.616 1.00 76.00 ? 36 ARG B NH2 1 ATOM 677 N N . ILE B 2 37 ? -10.377 -29.697 -14.345 1.00 42.90 ? 37 ILE B N 1 ATOM 678 C CA . ILE B 2 37 ? -9.105 -29.844 -15.052 1.00 42.55 ? 37 ILE B CA 1 ATOM 679 C C . ILE B 2 37 ? -9.335 -29.361 -16.488 1.00 46.40 ? 37 ILE B C 1 ATOM 680 O O . ILE B 2 37 ? -10.187 -29.907 -17.193 1.00 46.97 ? 37 ILE B O 1 ATOM 681 C CB . ILE B 2 37 ? -8.521 -31.290 -14.992 1.00 46.64 ? 37 ILE B CB 1 ATOM 682 C CG1 . ILE B 2 37 ? -8.465 -31.834 -13.542 1.00 47.19 ? 37 ILE B CG1 1 ATOM 683 C CG2 . ILE B 2 37 ? -7.130 -31.345 -15.657 1.00 47.54 ? 37 ILE B CG2 1 ATOM 684 C CD1 . ILE B 2 37 ? -8.497 -33.379 -13.420 1.00 55.99 ? 37 ILE B CD1 1 ATOM 685 N N . ARG B 2 38 ? -8.601 -28.316 -16.898 1.00 42.08 ? 38 ARG B N 1 ATOM 686 C CA . ARG B 2 38 ? -8.702 -27.730 -18.235 1.00 42.18 ? 38 ARG B CA 1 ATOM 687 C C . ARG B 2 38 ? -7.515 -28.154 -19.092 1.00 46.38 ? 38 ARG B C 1 ATOM 688 O O . ARG B 2 38 ? -6.370 -28.041 -18.652 1.00 45.35 ? 38 ARG B O 1 ATOM 689 C CB . ARG B 2 38 ? -8.819 -26.201 -18.152 1.00 41.58 ? 38 ARG B CB 1 ATOM 690 C CG . ARG B 2 38 ? -10.195 -25.720 -17.698 1.00 50.25 ? 38 ARG B CG 1 ATOM 691 C CD . ARG B 2 38 ? -10.230 -24.224 -17.453 1.00 58.28 ? 38 ARG B CD 1 ATOM 692 N NE . ARG B 2 38 ? -10.019 -23.451 -18.679 1.00 66.26 ? 38 ARG B NE 1 ATOM 693 C CZ . ARG B 2 38 ? -9.816 -22.138 -18.712 1.00 80.14 ? 38 ARG B CZ 1 ATOM 694 N NH1 . ARG B 2 38 ? -9.795 -21.433 -17.587 1.00 67.41 ? 38 ARG B NH1 1 ATOM 695 N NH2 . ARG B 2 38 ? -9.629 -21.519 -19.870 1.00 67.15 ? 38 ARG B NH2 1 ATOM 696 N N . ASN B 2 39 ? -7.795 -28.665 -20.307 1.00 44.13 ? 39 ASN B N 1 ATOM 697 C CA . ASN B 2 39 ? -6.787 -29.168 -21.249 1.00 44.64 ? 39 ASN B CA 1 ATOM 698 C C . ASN B 2 39 ? -6.959 -28.608 -22.671 1.00 49.44 ? 39 ASN B C 1 ATOM 699 O O . ASN B 2 39 ? -6.770 -29.324 -23.657 1.00 50.26 ? 39 ASN B O 1 ATOM 700 C CB . ASN B 2 39 ? -6.773 -30.706 -21.240 1.00 46.33 ? 39 ASN B CB 1 ATOM 701 C CG . ASN B 2 39 ? -8.087 -31.352 -21.609 1.00 72.18 ? 39 ASN B CG 1 ATOM 702 O OD1 . ASN B 2 39 ? -8.317 -31.727 -22.761 1.00 67.92 ? 39 ASN B OD1 1 ATOM 703 N ND2 . ASN B 2 39 ? -8.980 -31.500 -20.641 1.00 64.86 ? 39 ASN B ND2 1 ATOM 704 N N . GLU B 2 40 ? -7.281 -27.313 -22.768 1.00 45.71 ? 40 GLU B N 1 ATOM 705 C CA . GLU B 2 40 ? -7.502 -26.622 -24.040 1.00 46.59 ? 40 GLU B CA 1 ATOM 706 C C . GLU B 2 40 ? -6.199 -26.210 -24.719 1.00 50.65 ? 40 GLU B C 1 ATOM 707 O O . GLU B 2 40 ? -6.182 -26.020 -25.937 1.00 51.51 ? 40 GLU B O 1 ATOM 708 C CB . GLU B 2 40 ? -8.408 -25.405 -23.838 1.00 47.98 ? 40 GLU B CB 1 ATOM 709 C CG . GLU B 2 40 ? -9.690 -25.716 -23.081 1.00 58.22 ? 40 GLU B CG 1 ATOM 710 C CD . GLU B 2 40 ? -9.883 -24.971 -21.773 1.00 76.47 ? 40 GLU B CD 1 ATOM 711 O OE1 . GLU B 2 40 ? -9.140 -23.996 -21.514 1.00 68.28 ? 40 GLU B OE1 1 ATOM 712 O OE2 . GLU B 2 40 ? -10.802 -25.352 -21.014 1.00 71.23 ? 40 GLU B OE2 1 ATOM 713 N N . ALA B 2 41 ? -5.113 -26.074 -23.934 1.00 46.22 ? 41 ALA B N 1 ATOM 714 C CA . ALA B 2 41 ? -3.790 -25.692 -24.418 1.00 46.49 ? 41 ALA B CA 1 ATOM 715 C C . ALA B 2 41 ? -3.190 -26.791 -25.290 1.00 51.64 ? 41 ALA B C 1 ATOM 716 O O . ALA B 2 41 ? -3.041 -27.930 -24.838 1.00 51.12 ? 41 ALA B O 1 ATOM 717 C CB . ALA B 2 41 ? -2.874 -25.388 -23.245 1.00 46.29 ? 41 ALA B CB 1 ATOM 718 N N . THR B 2 42 ? -2.874 -26.446 -26.551 1.00 49.60 ? 42 THR B N 1 ATOM 719 C CA . THR B 2 42 ? -2.297 -27.371 -27.532 1.00 50.64 ? 42 THR B CA 1 ATOM 720 C C . THR B 2 42 ? -0.863 -27.790 -27.191 1.00 54.73 ? 42 THR B C 1 ATOM 721 O O . THR B 2 42 ? -0.424 -28.852 -27.636 1.00 55.35 ? 42 THR B O 1 ATOM 722 C CB . THR B 2 42 ? -2.455 -26.843 -28.964 1.00 59.50 ? 42 THR B CB 1 ATOM 723 O OG1 . THR B 2 42 ? -1.935 -25.515 -29.046 1.00 58.98 ? 42 THR B OG1 1 ATOM 724 C CG2 . THR B 2 42 ? -3.898 -26.885 -29.450 1.00 58.49 ? 42 THR B CG2 1 ATOM 725 N N . ASP B 2 43 ? -0.148 -26.984 -26.377 1.00 50.53 ? 43 ASP B N 1 ATOM 726 C CA . ASP B 2 43 ? 1.219 -27.289 -25.949 1.00 50.57 ? 43 ASP B CA 1 ATOM 727 C C . ASP B 2 43 ? 1.281 -28.395 -24.871 1.00 53.70 ? 43 ASP B C 1 ATOM 728 O O . ASP B 2 43 ? 2.372 -28.846 -24.518 1.00 53.79 ? 43 ASP B O 1 ATOM 729 C CB . ASP B 2 43 ? 1.976 -26.009 -25.527 1.00 52.43 ? 43 ASP B CB 1 ATOM 730 C CG . ASP B 2 43 ? 1.649 -25.455 -24.150 1.00 61.08 ? 43 ASP B CG 1 ATOM 731 O OD1 . ASP B 2 43 ? 0.467 -25.511 -23.749 1.00 60.59 ? 43 ASP B OD1 1 ATOM 732 O OD2 . ASP B 2 43 ? 2.569 -24.921 -23.494 1.00 67.10 ? 43 ASP B OD2 1 ATOM 733 N N . GLY B 2 44 ? 0.113 -28.818 -24.378 1.00 49.43 ? 44 GLY B N 1 ATOM 734 C CA . GLY B 2 44 ? -0.021 -29.879 -23.386 1.00 48.84 ? 44 GLY B CA 1 ATOM 735 C C . GLY B 2 44 ? -0.229 -29.435 -21.951 1.00 51.46 ? 44 GLY B C 1 ATOM 736 O O . GLY B 2 44 ? -0.477 -30.280 -21.087 1.00 50.93 ? 44 GLY B O 1 ATOM 737 N N . THR B 2 45 ? -0.129 -28.115 -21.683 1.00 47.26 ? 45 THR B N 1 ATOM 738 C CA . THR B 2 45 ? -0.286 -27.518 -20.349 1.00 45.91 ? 45 THR B CA 1 ATOM 739 C C . THR B 2 45 ? -1.702 -27.725 -19.794 1.00 48.69 ? 45 THR B C 1 ATOM 740 O O . THR B 2 45 ? -2.682 -27.489 -20.501 1.00 48.34 ? 45 THR B O 1 ATOM 741 C CB . THR B 2 45 ? 0.152 -26.036 -20.362 1.00 53.50 ? 45 THR B CB 1 ATOM 742 O OG1 . THR B 2 45 ? 1.458 -25.934 -20.933 1.00 54.68 ? 45 THR B OG1 1 ATOM 743 C CG2 . THR B 2 45 ? 0.157 -25.400 -18.970 1.00 51.04 ? 45 THR B CG2 1 ATOM 744 N N . LEU B 2 46 ? -1.794 -28.175 -18.530 1.00 44.47 ? 46 LEU B N 1 ATOM 745 C CA . LEU B 2 46 ? -3.060 -28.413 -17.835 1.00 43.48 ? 46 LEU B CA 1 ATOM 746 C C . LEU B 2 46 ? -3.320 -27.325 -16.795 1.00 46.35 ? 46 LEU B C 1 ATOM 747 O O . LEU B 2 46 ? -2.436 -27.029 -15.989 1.00 45.96 ? 46 LEU B O 1 ATOM 748 C CB . LEU B 2 46 ? -3.060 -29.792 -17.136 1.00 43.87 ? 46 LEU B CB 1 ATOM 749 C CG . LEU B 2 46 ? -2.928 -31.048 -18.003 1.00 49.67 ? 46 LEU B CG 1 ATOM 750 C CD1 . LEU B 2 46 ? -2.546 -32.239 -17.159 1.00 50.55 ? 46 LEU B CD1 1 ATOM 751 C CD2 . LEU B 2 46 ? -4.217 -31.361 -18.725 1.00 52.44 ? 46 LEU B CD2 1 ATOM 752 N N . LYS B 2 47 ? -4.529 -26.735 -16.809 1.00 42.34 ? 47 LYS B N 1 ATOM 753 C CA . LYS B 2 47 ? -4.950 -25.736 -15.826 1.00 41.55 ? 47 LYS B CA 1 ATOM 754 C C . LYS B 2 47 ? -5.851 -26.478 -14.836 1.00 45.44 ? 47 LYS B C 1 ATOM 755 O O . LYS B 2 47 ? -6.980 -26.846 -15.176 1.00 45.24 ? 47 LYS B O 1 ATOM 756 C CB . LYS B 2 47 ? -5.672 -24.546 -16.489 1.00 44.03 ? 47 LYS B CB 1 ATOM 757 C CG . LYS B 2 47 ? -5.930 -23.382 -15.532 1.00 55.89 ? 47 LYS B CG 1 ATOM 758 C CD . LYS B 2 47 ? -6.594 -22.197 -16.218 1.00 65.17 ? 47 LYS B CD 1 ATOM 759 C CE . LYS B 2 47 ? -6.814 -21.056 -15.256 1.00 74.36 ? 47 LYS B CE 1 ATOM 760 N NZ . LYS B 2 47 ? -7.084 -19.778 -15.962 1.00 83.37 ? 47 LYS B NZ 1 ATOM 761 N N . ILE B 2 48 ? -5.318 -26.756 -13.636 1.00 41.88 ? 48 ILE B N 1 ATOM 762 C CA . ILE B 2 48 ? -6.005 -27.526 -12.597 1.00 41.69 ? 48 ILE B CA 1 ATOM 763 C C . ILE B 2 48 ? -6.562 -26.628 -11.484 1.00 45.32 ? 48 ILE B C 1 ATOM 764 O O . ILE B 2 48 ? -5.829 -25.794 -10.948 1.00 45.02 ? 48 ILE B O 1 ATOM 765 C CB . ILE B 2 48 ? -5.065 -28.647 -12.046 1.00 45.35 ? 48 ILE B CB 1 ATOM 766 C CG1 . ILE B 2 48 ? -4.442 -29.490 -13.189 1.00 46.39 ? 48 ILE B CG1 1 ATOM 767 C CG2 . ILE B 2 48 ? -5.788 -29.549 -11.039 1.00 46.45 ? 48 ILE B CG2 1 ATOM 768 C CD1 . ILE B 2 48 ? -3.029 -30.016 -12.912 1.00 54.03 ? 48 ILE B CD1 1 ATOM 769 N N . GLN B 2 49 ? -7.856 -26.811 -11.136 1.00 41.61 ? 49 GLN B N 1 ATOM 770 C CA . GLN B 2 49 ? -8.509 -26.077 -10.051 1.00 41.08 ? 49 GLN B CA 1 ATOM 771 C C . GLN B 2 49 ? -8.641 -26.985 -8.827 1.00 45.08 ? 49 GLN B C 1 ATOM 772 O O . GLN B 2 49 ? -9.151 -28.104 -8.932 1.00 45.18 ? 49 GLN B O 1 ATOM 773 C CB . GLN B 2 49 ? -9.868 -25.495 -10.470 1.00 42.41 ? 49 GLN B CB 1 ATOM 774 C CG . GLN B 2 49 ? -10.385 -24.442 -9.482 1.00 54.30 ? 49 GLN B CG 1 ATOM 775 C CD . GLN B 2 49 ? -11.728 -23.846 -9.835 1.00 71.42 ? 49 GLN B CD 1 ATOM 776 O OE1 . GLN B 2 49 ? -12.115 -23.729 -11.005 1.00 66.78 ? 49 GLN B OE1 1 ATOM 777 N NE2 . GLN B 2 49 ? -12.450 -23.402 -8.818 1.00 63.10 ? 49 GLN B NE2 1 ATOM 778 N N . VAL B 2 50 ? -8.169 -26.493 -7.673 1.00 41.44 ? 50 VAL B N 1 ATOM 779 C CA . VAL B 2 50 ? -8.146 -27.215 -6.400 1.00 41.70 ? 50 VAL B CA 1 ATOM 780 C C . VAL B 2 50 ? -8.914 -26.453 -5.287 1.00 45.35 ? 50 VAL B C 1 ATOM 781 O O . VAL B 2 50 ? -9.156 -25.254 -5.432 1.00 44.78 ? 50 VAL B O 1 ATOM 782 C CB . VAL B 2 50 ? -6.671 -27.557 -6.041 1.00 46.08 ? 50 VAL B CB 1 ATOM 783 C CG1 . VAL B 2 50 ? -5.922 -26.362 -5.449 1.00 46.02 ? 50 VAL B CG1 1 ATOM 784 C CG2 . VAL B 2 50 ? -6.575 -28.779 -5.141 1.00 46.89 ? 50 VAL B CG2 1 ATOM 785 N N . SER B 2 51 ? -9.309 -27.150 -4.199 1.00 42.19 ? 51 SER B N 1 ATOM 786 C CA . SER B 2 51 ? -10.053 -26.540 -3.090 1.00 42.26 ? 51 SER B CA 1 ATOM 787 C C . SER B 2 51 ? -9.205 -25.646 -2.163 1.00 46.18 ? 51 SER B C 1 ATOM 788 O O . SER B 2 51 ? -9.766 -24.789 -1.476 1.00 46.11 ? 51 SER B O 1 ATOM 789 C CB . SER B 2 51 ? -10.843 -27.587 -2.309 1.00 46.71 ? 51 SER B CB 1 ATOM 790 O OG . SER B 2 51 ? -10.026 -28.365 -1.450 1.00 56.92 ? 51 SER B OG 1 ATOM 791 N N . LEU B 2 52 ? -7.868 -25.834 -2.151 1.00 42.53 ? 52 LEU B N 1 ATOM 792 C CA . LEU B 2 52 ? -6.954 -25.019 -1.338 1.00 42.79 ? 52 LEU B CA 1 ATOM 793 C C . LEU B 2 52 ? -6.422 -23.792 -2.102 1.00 45.86 ? 52 LEU B C 1 ATOM 794 O O . LEU B 2 52 ? -6.674 -23.669 -3.302 1.00 44.71 ? 52 LEU B O 1 ATOM 795 C CB . LEU B 2 52 ? -5.810 -25.853 -0.709 1.00 43.78 ? 52 LEU B CB 1 ATOM 796 C CG . LEU B 2 52 ? -4.972 -26.779 -1.601 1.00 48.27 ? 52 LEU B CG 1 ATOM 797 C CD1 . LEU B 2 52 ? -3.861 -26.026 -2.304 1.00 48.20 ? 52 LEU B CD1 1 ATOM 798 C CD2 . LEU B 2 52 ? -4.322 -27.841 -0.770 1.00 52.05 ? 52 LEU B CD2 1 ATOM 799 N N . GLN B 2 53 ? -5.693 -22.889 -1.407 1.00 42.81 ? 53 GLN B N 1 ATOM 800 C CA . GLN B 2 53 ? -5.127 -21.671 -2.001 1.00 42.60 ? 53 GLN B CA 1 ATOM 801 C C . GLN B 2 53 ? -3.607 -21.590 -1.824 1.00 47.35 ? 53 GLN B C 1 ATOM 802 O O . GLN B 2 53 ? -3.119 -21.554 -0.692 1.00 48.09 ? 53 GLN B O 1 ATOM 803 C CB . GLN B 2 53 ? -5.828 -20.412 -1.463 1.00 44.49 ? 53 GLN B CB 1 ATOM 804 C CG . GLN B 2 53 ? -7.280 -20.277 -1.925 1.00 55.88 ? 53 GLN B CG 1 ATOM 805 C CD . GLN B 2 53 ? -8.063 -19.207 -1.199 1.00 74.10 ? 53 GLN B CD 1 ATOM 806 O OE1 . GLN B 2 53 ? -7.700 -18.744 -0.112 1.00 70.65 ? 53 GLN B OE1 1 ATOM 807 N NE2 . GLN B 2 53 ? -9.185 -18.813 -1.775 1.00 65.71 ? 53 GLN B NE2 1 ATOM 808 N N . ILE B 2 54 ? -2.865 -21.569 -2.952 1.00 43.64 ? 54 ILE B N 1 ATOM 809 C CA . ILE B 2 54 ? -1.394 -21.528 -2.990 1.00 44.54 ? 54 ILE B CA 1 ATOM 810 C C . ILE B 2 54 ? -0.869 -20.094 -3.124 1.00 49.65 ? 54 ILE B C 1 ATOM 811 O O . ILE B 2 54 ? -1.399 -19.315 -3.918 1.00 48.70 ? 54 ILE B O 1 ATOM 812 C CB . ILE B 2 54 ? -0.813 -22.456 -4.106 1.00 46.99 ? 54 ILE B CB 1 ATOM 813 C CG1 . ILE B 2 54 ? -1.507 -23.827 -4.137 1.00 46.48 ? 54 ILE B CG1 1 ATOM 814 C CG2 . ILE B 2 54 ? 0.704 -22.635 -3.970 1.00 49.09 ? 54 ILE B CG2 1 ATOM 815 C CD1 . ILE B 2 54 ? -2.101 -24.172 -5.440 1.00 52.70 ? 54 ILE B CD1 1 ATOM 816 N N . GLY B 2 55 ? 0.188 -19.790 -2.369 1.00 48.14 ? 55 GLY B N 1 ATOM 817 C CA . GLY B 2 55 ? 0.858 -18.494 -2.380 1.00 49.76 ? 55 GLY B CA 1 ATOM 818 C C . GLY B 2 55 ? 0.274 -17.457 -1.443 1.00 54.87 ? 55 GLY B C 1 ATOM 819 O O . GLY B 2 55 ? 0.675 -16.291 -1.492 1.00 56.07 ? 55 GLY B O 1 ATOM 820 N N . ILE B 2 56 ? -0.686 -17.867 -0.592 1.00 50.98 ? 56 ILE B N 1 ATOM 821 C CA . ILE B 2 56 ? -1.373 -16.996 0.369 1.00 51.97 ? 56 ILE B CA 1 ATOM 822 C C . ILE B 2 56 ? -1.356 -17.655 1.756 1.00 56.86 ? 56 ILE B C 1 ATOM 823 O O . ILE B 2 56 ? -1.619 -18.853 1.870 1.00 55.19 ? 56 ILE B O 1 ATOM 824 C CB . ILE B 2 56 ? -2.828 -16.642 -0.112 1.00 53.80 ? 56 ILE B CB 1 ATOM 825 C CG1 . ILE B 2 56 ? -2.838 -15.923 -1.479 1.00 54.03 ? 56 ILE B CG1 1 ATOM 826 C CG2 . ILE B 2 56 ? -3.600 -15.803 0.911 1.00 55.71 ? 56 ILE B CG2 1 ATOM 827 C CD1 . ILE B 2 56 ? -3.178 -16.810 -2.639 1.00 60.05 ? 56 ILE B CD1 1 ATOM 828 N N . LYS B 2 57 ? -1.030 -16.870 2.798 1.00 55.98 ? 57 LYS B N 1 ATOM 829 C CA . LYS B 2 57 ? -1.006 -17.316 4.193 1.00 57.11 ? 57 LYS B CA 1 ATOM 830 C C . LYS B 2 57 ? -2.390 -17.093 4.830 1.00 61.23 ? 57 LYS B C 1 ATOM 831 O O . LYS B 2 57 ? -3.231 -16.418 4.231 1.00 60.01 ? 57 LYS B O 1 ATOM 832 C CB . LYS B 2 57 ? 0.077 -16.559 4.980 1.00 62.37 ? 57 LYS B CB 1 ATOM 833 C CG . LYS B 2 57 ? 1.504 -17.020 4.691 1.00 75.46 ? 57 LYS B CG 1 ATOM 834 C CD . LYS B 2 57 ? 2.550 -16.081 5.294 1.00 87.82 ? 57 LYS B CD 1 ATOM 835 C CE . LYS B 2 57 ? 2.849 -16.363 6.748 1.00 100.14 ? 57 LYS B CE 1 ATOM 836 N NZ . LYS B 2 57 ? 3.748 -15.336 7.327 1.00 112.73 ? 57 LYS B NZ 1 ATOM 837 N N . THR B 2 58 ? -2.621 -17.646 6.042 1.00 59.11 ? 58 THR B N 1 ATOM 838 C CA . THR B 2 58 ? -3.887 -17.517 6.786 1.00 59.19 ? 58 THR B CA 1 ATOM 839 C C . THR B 2 58 ? -4.247 -16.066 7.127 1.00 65.26 ? 58 THR B C 1 ATOM 840 O O . THR B 2 58 ? -5.432 -15.737 7.215 1.00 64.53 ? 58 THR B O 1 ATOM 841 C CB . THR B 2 58 ? -3.902 -18.413 8.028 1.00 68.55 ? 58 THR B CB 1 ATOM 842 O OG1 . THR B 2 58 ? -2.773 -18.112 8.850 1.00 71.49 ? 58 THR B OG1 1 ATOM 843 C CG2 . THR B 2 58 ? -3.923 -19.887 7.682 1.00 65.37 ? 58 THR B CG2 1 ATOM 844 N N . ASP B 2 59 ? -3.225 -15.200 7.295 1.00 64.22 ? 59 ASP B N 1 ATOM 845 C CA . ASP B 2 59 ? -3.380 -13.771 7.588 1.00 66.31 ? 59 ASP B CA 1 ATOM 846 C C . ASP B 2 59 ? -3.628 -12.934 6.309 1.00 69.76 ? 59 ASP B C 1 ATOM 847 O O . ASP B 2 59 ? -3.617 -11.701 6.369 1.00 71.33 ? 59 ASP B O 1 ATOM 848 C CB . ASP B 2 59 ? -2.170 -13.241 8.395 1.00 71.25 ? 59 ASP B CB 1 ATOM 849 C CG . ASP B 2 59 ? -0.794 -13.614 7.859 1.00 81.16 ? 59 ASP B CG 1 ATOM 850 O OD1 . ASP B 2 59 ? -0.636 -13.695 6.622 1.00 79.79 ? 59 ASP B OD1 1 ATOM 851 O OD2 . ASP B 2 59 ? 0.130 -13.803 8.679 1.00 89.16 ? 59 ASP B OD2 1 ATOM 852 N N . ASP B 2 60 ? -3.858 -13.627 5.162 1.00 63.92 ? 60 ASP B N 1 ATOM 853 C CA . ASP B 2 60 ? -4.129 -13.112 3.807 1.00 62.83 ? 60 ASP B CA 1 ATOM 854 C C . ASP B 2 60 ? -2.904 -12.628 3.014 1.00 67.75 ? 60 ASP B C 1 ATOM 855 O O . ASP B 2 60 ? -3.022 -12.424 1.804 1.00 66.33 ? 60 ASP B O 1 ATOM 856 C CB . ASP B 2 60 ? -5.297 -12.098 3.760 1.00 65.37 ? 60 ASP B CB 1 ATOM 857 C CG . ASP B 2 60 ? -6.554 -12.552 4.475 1.00 74.80 ? 60 ASP B CG 1 ATOM 858 O OD1 . ASP B 2 60 ? -7.066 -13.643 4.144 1.00 73.21 ? 60 ASP B OD1 1 ATOM 859 O OD2 . ASP B 2 60 ? -7.034 -11.809 5.357 1.00 82.46 ? 60 ASP B OD2 1 ATOM 860 N N . SER B 2 61 ? -1.734 -12.473 3.678 1.00 66.49 ? 61 SER B N 1 ATOM 861 C CA . SER B 2 61 ? -0.486 -12.022 3.048 1.00 67.71 ? 61 SER B CA 1 ATOM 862 C C . SER B 2 61 ? 0.015 -12.990 1.975 1.00 69.61 ? 61 SER B C 1 ATOM 863 O O . SER B 2 61 ? -0.099 -14.208 2.138 1.00 67.34 ? 61 SER B O 1 ATOM 864 C CB . SER B 2 61 ? 0.599 -11.786 4.094 1.00 74.11 ? 61 SER B CB 1 ATOM 865 O OG . SER B 2 61 ? 1.026 -12.998 4.694 1.00 82.14 ? 61 SER B OG 1 ATOM 866 N N . HIS B 2 62 ? 0.560 -12.439 0.879 1.00 66.84 ? 62 HIS B N 1 ATOM 867 C CA . HIS B 2 62 ? 1.084 -13.218 -0.239 1.00 65.08 ? 62 HIS B CA 1 ATOM 868 C C . HIS B 2 62 ? 2.506 -13.699 0.041 1.00 70.01 ? 62 HIS B C 1 ATOM 869 O O . HIS B 2 62 ? 3.392 -12.887 0.316 1.00 72.32 ? 62 HIS B O 1 ATOM 870 C CB . HIS B 2 62 ? 0.998 -12.425 -1.555 1.00 66.02 ? 62 HIS B CB 1 ATOM 871 C CG . HIS B 2 62 ? -0.405 -12.221 -2.041 1.00 67.95 ? 62 HIS B CG 1 ATOM 872 N ND1 . HIS B 2 62 ? -0.919 -12.962 -3.092 1.00 67.35 ? 62 HIS B ND1 1 ATOM 873 C CD2 . HIS B 2 62 ? -1.360 -11.370 -1.599 1.00 70.58 ? 62 HIS B CD2 1 ATOM 874 C CE1 . HIS B 2 62 ? -2.163 -12.539 -3.255 1.00 66.27 ? 62 HIS B CE1 1 ATOM 875 N NE2 . HIS B 2 62 ? -2.474 -11.582 -2.379 1.00 68.49 ? 62 HIS B NE2 1 ATOM 876 N N . ASP B 2 63 ? 2.704 -15.029 0.007 1.00 64.71 ? 63 ASP B N 1 ATOM 877 C CA . ASP B 2 63 ? 3.987 -15.688 0.251 1.00 65.57 ? 63 ASP B CA 1 ATOM 878 C C . ASP B 2 63 ? 4.071 -16.930 -0.637 1.00 67.21 ? 63 ASP B C 1 ATOM 879 O O . ASP B 2 63 ? 3.362 -17.909 -0.392 1.00 65.01 ? 63 ASP B O 1 ATOM 880 C CB . ASP B 2 63 ? 4.130 -16.060 1.743 1.00 68.65 ? 63 ASP B CB 1 ATOM 881 C CG . ASP B 2 63 ? 5.551 -16.302 2.225 1.00 80.37 ? 63 ASP B CG 1 ATOM 882 O OD1 . ASP B 2 63 ? 6.302 -17.024 1.534 1.00 80.14 ? 63 ASP B OD1 1 ATOM 883 O OD2 . ASP B 2 63 ? 5.891 -15.821 3.326 1.00 89.01 ? 63 ASP B OD2 1 ATOM 884 N N . TRP B 2 64 ? 4.937 -16.880 -1.671 1.00 64.14 ? 64 TRP B N 1 ATOM 885 C CA . TRP B 2 64 ? 5.133 -17.960 -2.646 1.00 62.28 ? 64 TRP B CA 1 ATOM 886 C C . TRP B 2 64 ? 5.593 -19.301 -2.058 1.00 65.67 ? 64 TRP B C 1 ATOM 887 O O . TRP B 2 64 ? 5.289 -20.342 -2.637 1.00 63.49 ? 64 TRP B O 1 ATOM 888 C CB . TRP B 2 64 ? 6.030 -17.510 -3.813 1.00 61.98 ? 64 TRP B CB 1 ATOM 889 C CG . TRP B 2 64 ? 7.463 -17.267 -3.443 1.00 65.85 ? 64 TRP B CG 1 ATOM 890 C CD1 . TRP B 2 64 ? 7.994 -16.122 -2.927 1.00 71.47 ? 64 TRP B CD1 1 ATOM 891 C CD2 . TRP B 2 64 ? 8.556 -18.182 -3.601 1.00 66.52 ? 64 TRP B CD2 1 ATOM 892 N NE1 . TRP B 2 64 ? 9.348 -16.272 -2.735 1.00 73.37 ? 64 TRP B NE1 1 ATOM 893 C CE2 . TRP B 2 64 ? 9.721 -17.527 -3.143 1.00 73.64 ? 64 TRP B CE2 1 ATOM 894 C CE3 . TRP B 2 64 ? 8.663 -19.500 -4.077 1.00 66.40 ? 64 TRP B CE3 1 ATOM 895 C CZ2 . TRP B 2 64 ? 10.977 -18.144 -3.145 1.00 74.75 ? 64 TRP B CZ2 1 ATOM 896 C CZ3 . TRP B 2 64 ? 9.909 -20.110 -4.080 1.00 69.64 ? 64 TRP B CZ3 1 ATOM 897 C CH2 . TRP B 2 64 ? 11.047 -19.436 -3.618 1.00 73.40 ? 64 TRP B CH2 1 ATOM 898 N N . THR B 2 65 ? 6.299 -19.278 -0.910 1.00 64.11 ? 65 THR B N 1 ATOM 899 C CA . THR B 2 65 ? 6.782 -20.487 -0.228 1.00 64.40 ? 65 THR B CA 1 ATOM 900 C C . THR B 2 65 ? 5.689 -21.135 0.642 1.00 66.79 ? 65 THR B C 1 ATOM 901 O O . THR B 2 65 ? 5.893 -22.240 1.153 1.00 66.70 ? 65 THR B O 1 ATOM 902 C CB . THR B 2 65 ? 8.049 -20.190 0.601 1.00 75.61 ? 65 THR B CB 1 ATOM 903 O OG1 . THR B 2 65 ? 7.747 -19.242 1.624 1.00 76.19 ? 65 THR B OG1 1 ATOM 904 C CG2 . THR B 2 65 ? 9.220 -19.708 -0.248 1.00 75.96 ? 65 THR B CG2 1 ATOM 905 N N . LYS B 2 66 ? 4.537 -20.451 0.806 1.00 61.98 ? 66 LYS B N 1 ATOM 906 C CA . LYS B 2 66 ? 3.425 -20.924 1.634 1.00 60.71 ? 66 LYS B CA 1 ATOM 907 C C . LYS B 2 66 ? 2.175 -21.339 0.849 1.00 61.79 ? 66 LYS B C 1 ATOM 908 O O . LYS B 2 66 ? 2.012 -20.975 -0.318 1.00 60.09 ? 66 LYS B O 1 ATOM 909 C CB . LYS B 2 66 ? 3.087 -19.909 2.745 1.00 64.53 ? 66 LYS B CB 1 ATOM 910 C CG . LYS B 2 66 ? 4.243 -19.599 3.704 1.00 81.32 ? 66 LYS B CG 1 ATOM 911 C CD . LYS B 2 66 ? 4.532 -20.727 4.701 1.00 91.90 ? 66 LYS B CD 1 ATOM 912 C CE . LYS B 2 66 ? 5.842 -20.532 5.427 1.00 105.40 ? 66 LYS B CE 1 ATOM 913 N NZ . LYS B 2 66 ? 7.014 -20.814 4.555 1.00 114.84 ? 66 LYS B NZ 1 ATOM 914 N N . LEU B 2 67 ? 1.302 -22.113 1.514 1.00 57.75 ? 67 LEU B N 1 ATOM 915 C CA . LEU B 2 67 ? 0.053 -22.669 0.995 1.00 55.49 ? 67 LEU B CA 1 ATOM 916 C C . LEU B 2 67 ? -0.973 -22.679 2.131 1.00 59.71 ? 67 LEU B C 1 ATOM 917 O O . LEU B 2 67 ? -0.623 -23.024 3.262 1.00 60.83 ? 67 LEU B O 1 ATOM 918 C CB . LEU B 2 67 ? 0.335 -24.118 0.526 1.00 55.08 ? 67 LEU B CB 1 ATOM 919 C CG . LEU B 2 67 ? -0.783 -24.931 -0.141 1.00 58.02 ? 67 LEU B CG 1 ATOM 920 C CD1 . LEU B 2 67 ? -0.209 -25.859 -1.187 1.00 57.80 ? 67 LEU B CD1 1 ATOM 921 C CD2 . LEU B 2 67 ? -1.547 -25.774 0.877 1.00 60.89 ? 67 LEU B CD2 1 ATOM 922 N N . ARG B 2 68 ? -2.236 -22.333 1.834 1.00 55.03 ? 68 ARG B N 1 ATOM 923 C CA . ARG B 2 68 ? -3.289 -22.391 2.845 1.00 55.09 ? 68 ARG B CA 1 ATOM 924 C C . ARG B 2 68 ? -4.400 -23.369 2.476 1.00 58.19 ? 68 ARG B C 1 ATOM 925 O O . ARG B 2 68 ? -4.895 -23.360 1.347 1.00 56.29 ? 68 ARG B O 1 ATOM 926 C CB . ARG B 2 68 ? -3.785 -21.008 3.310 1.00 55.34 ? 68 ARG B CB 1 ATOM 927 C CG . ARG B 2 68 ? -4.644 -20.228 2.326 1.00 62.03 ? 68 ARG B CG 1 ATOM 928 C CD . ARG B 2 68 ? -5.092 -18.926 2.951 1.00 69.54 ? 68 ARG B CD 1 ATOM 929 N NE . ARG B 2 68 ? -6.166 -18.293 2.189 1.00 74.54 ? 68 ARG B NE 1 ATOM 930 C CZ . ARG B 2 68 ? -6.657 -17.084 2.443 1.00 88.61 ? 68 ARG B CZ 1 ATOM 931 N NH1 . ARG B 2 68 ? -6.166 -16.356 3.439 1.00 77.99 ? 68 ARG B NH1 1 ATOM 932 N NH2 . ARG B 2 68 ? -7.636 -16.591 1.699 1.00 74.00 ? 68 ARG B NH2 1 ATOM 933 N N . TYR B 2 69 ? -4.735 -24.252 3.424 1.00 56.00 ? 69 TYR B N 1 ATOM 934 C CA . TYR B 2 69 ? -5.739 -25.305 3.287 1.00 55.41 ? 69 TYR B CA 1 ATOM 935 C C . TYR B 2 69 ? -6.700 -25.270 4.477 1.00 60.71 ? 69 TYR B C 1 ATOM 936 O O . TYR B 2 69 ? -6.325 -24.792 5.550 1.00 61.60 ? 69 TYR B O 1 ATOM 937 C CB . TYR B 2 69 ? -5.040 -26.683 3.195 1.00 57.19 ? 69 TYR B CB 1 ATOM 938 C CG . TYR B 2 69 ? -4.407 -27.144 4.494 1.00 60.99 ? 69 TYR B CG 1 ATOM 939 C CD1 . TYR B 2 69 ? -5.043 -28.074 5.311 1.00 64.02 ? 69 TYR B CD1 1 ATOM 940 C CD2 . TYR B 2 69 ? -3.178 -26.641 4.912 1.00 62.93 ? 69 TYR B CD2 1 ATOM 941 C CE1 . TYR B 2 69 ? -4.476 -28.487 6.515 1.00 66.99 ? 69 TYR B CE1 1 ATOM 942 C CE2 . TYR B 2 69 ? -2.607 -27.037 6.120 1.00 66.02 ? 69 TYR B CE2 1 ATOM 943 C CZ . TYR B 2 69 ? -3.260 -27.962 6.918 1.00 74.40 ? 69 TYR B CZ 1 ATOM 944 O OH . TYR B 2 69 ? -2.701 -28.361 8.107 1.00 77.82 ? 69 TYR B OH 1 ATOM 945 N N . MET B 2 70 ? -7.916 -25.809 4.304 1.00 57.25 ? 70 MET B N 1 ATOM 946 C CA . MET B 2 70 ? -8.901 -25.864 5.380 1.00 58.24 ? 70 MET B CA 1 ATOM 947 C C . MET B 2 70 ? -8.587 -27.032 6.317 1.00 64.14 ? 70 MET B C 1 ATOM 948 O O . MET B 2 70 ? -8.699 -28.195 5.918 1.00 63.69 ? 70 MET B O 1 ATOM 949 C CB . MET B 2 70 ? -10.332 -25.942 4.816 1.00 59.74 ? 70 MET B CB 1 ATOM 950 C CG . MET B 2 70 ? -11.424 -25.971 5.879 1.00 64.61 ? 70 MET B CG 1 ATOM 951 S SD . MET B 2 70 ? -11.448 -24.535 6.982 1.00 69.83 ? 70 MET B SD 1 ATOM 952 C CE . MET B 2 70 ? -12.370 -23.402 6.007 1.00 65.30 ? 70 MET B CE 1 ATOM 953 N N . ASP B 2 71 ? -8.165 -26.712 7.553 1.00 62.84 ? 71 ASP B N 1 ATOM 954 C CA . ASP B 2 71 ? -7.829 -27.702 8.575 1.00 64.93 ? 71 ASP B CA 1 ATOM 955 C C . ASP B 2 71 ? -8.996 -27.852 9.542 1.00 70.42 ? 71 ASP B C 1 ATOM 956 O O . ASP B 2 71 ? -9.164 -27.035 10.454 1.00 70.92 ? 71 ASP B O 1 ATOM 957 C CB . ASP B 2 71 ? -6.534 -27.322 9.314 1.00 68.29 ? 71 ASP B CB 1 ATOM 958 C CG . ASP B 2 71 ? -5.953 -28.435 10.165 1.00 80.46 ? 71 ASP B CG 1 ATOM 959 O OD1 . ASP B 2 71 ? -6.466 -28.656 11.284 1.00 82.58 ? 71 ASP B OD1 1 ATOM 960 O OD2 . ASP B 2 71 ? -4.963 -29.060 9.729 1.00 86.78 ? 71 ASP B OD2 1 ATOM 961 N N . ASN B 2 72 ? -9.812 -28.901 9.320 1.00 67.49 ? 72 ASN B N 1 ATOM 962 C CA . ASN B 2 72 ? -10.997 -29.248 10.109 1.00 68.73 ? 72 ASN B CA 1 ATOM 963 C C . ASN B 2 72 ? -12.068 -28.146 10.079 1.00 71.64 ? 72 ASN B C 1 ATOM 964 O O . ASN B 2 72 ? -13.004 -28.246 9.283 1.00 70.24 ? 72 ASN B O 1 ATOM 965 C CB . ASN B 2 72 ? -10.625 -29.683 11.544 1.00 73.15 ? 72 ASN B CB 1 ATOM 966 C CG . ASN B 2 72 ? -9.614 -30.804 11.610 1.00 101.54 ? 72 ASN B CG 1 ATOM 967 O OD1 . ASN B 2 72 ? -9.846 -31.920 11.131 1.00 97.25 ? 72 ASN B OD1 1 ATOM 968 N ND2 . ASN B 2 72 ? -8.472 -30.534 12.225 1.00 95.40 ? 72 ASN B ND2 1 ATOM 969 N N . HIS B 2 73 ? -11.913 -27.088 10.907 1.00 68.65 ? 73 HIS B N 1 ATOM 970 C CA . HIS B 2 73 ? -12.864 -25.977 10.988 1.00 67.97 ? 73 HIS B CA 1 ATOM 971 C C . HIS B 2 73 ? -12.287 -24.621 10.564 1.00 70.46 ? 73 HIS B C 1 ATOM 972 O O . HIS B 2 73 ? -13.040 -23.774 10.079 1.00 69.10 ? 73 HIS B O 1 ATOM 973 C CB . HIS B 2 73 ? -13.475 -25.885 12.393 1.00 70.94 ? 73 HIS B CB 1 ATOM 974 C CG . HIS B 2 73 ? -14.948 -25.625 12.382 1.00 74.37 ? 73 HIS B CG 1 ATOM 975 N ND1 . HIS B 2 73 ? -15.459 -24.392 12.022 1.00 75.35 ? 73 HIS B ND1 1 ATOM 976 C CD2 . HIS B 2 73 ? -15.974 -26.453 12.685 1.00 77.10 ? 73 HIS B CD2 1 ATOM 977 C CE1 . HIS B 2 73 ? -16.772 -24.513 12.105 1.00 75.25 ? 73 HIS B CE1 1 ATOM 978 N NE2 . HIS B 2 73 ? -17.129 -25.733 12.506 1.00 76.65 ? 73 HIS B NE2 1 ATOM 979 N N . MET B 2 74 ? -10.970 -24.408 10.760 1.00 67.30 ? 74 MET B N 1 ATOM 980 C CA . MET B 2 74 ? -10.291 -23.152 10.416 1.00 66.60 ? 74 MET B CA 1 ATOM 981 C C . MET B 2 74 ? -9.093 -23.356 9.465 1.00 68.44 ? 74 MET B C 1 ATOM 982 O O . MET B 2 74 ? -8.447 -24.404 9.535 1.00 68.37 ? 74 MET B O 1 ATOM 983 C CB . MET B 2 74 ? -9.861 -22.395 11.687 1.00 71.29 ? 74 MET B CB 1 ATOM 984 C CG . MET B 2 74 ? -11.008 -21.679 12.395 1.00 76.13 ? 74 MET B CG 1 ATOM 985 S SD . MET B 2 74 ? -11.708 -20.255 11.515 1.00 79.45 ? 74 MET B SD 1 ATOM 986 C CE . MET B 2 74 ? -10.461 -19.022 11.849 1.00 77.60 ? 74 MET B CE 1 ATOM 987 N N . PRO B 2 75 ? -8.767 -22.376 8.578 1.00 63.22 ? 75 PRO B N 1 ATOM 988 C CA . PRO B 2 75 ? -7.627 -22.567 7.660 1.00 61.87 ? 75 PRO B CA 1 ATOM 989 C C . PRO B 2 75 ? -6.269 -22.600 8.358 1.00 66.43 ? 75 PRO B C 1 ATOM 990 O O . PRO B 2 75 ? -6.080 -21.922 9.369 1.00 67.81 ? 75 PRO B O 1 ATOM 991 C CB . PRO B 2 75 ? -7.730 -21.373 6.699 1.00 62.65 ? 75 PRO B CB 1 ATOM 992 C CG . PRO B 2 75 ? -9.089 -20.797 6.912 1.00 67.17 ? 75 PRO B CG 1 ATOM 993 C CD . PRO B 2 75 ? -9.419 -21.074 8.338 1.00 64.45 ? 75 PRO B CD 1 ATOM 994 N N . ALA B 2 76 ? -5.328 -23.395 7.812 1.00 61.87 ? 76 ALA B N 1 ATOM 995 C CA . ALA B 2 76 ? -3.968 -23.548 8.336 1.00 63.05 ? 76 ALA B CA 1 ATOM 996 C C . ALA B 2 76 ? -2.912 -23.406 7.235 1.00 65.49 ? 76 ALA B C 1 ATOM 997 O O . ALA B 2 76 ? -3.220 -23.587 6.055 1.00 63.04 ? 76 ALA B O 1 ATOM 998 C CB . ALA B 2 76 ? -3.820 -24.887 9.037 1.00 64.96 ? 76 ALA B CB 1 ATOM 999 N N . ASP B 2 77 ? -1.668 -23.077 7.626 1.00 63.42 ? 77 ASP B N 1 ATOM 1000 C CA . ASP B 2 77 ? -0.550 -22.910 6.700 1.00 62.86 ? 77 ASP B CA 1 ATOM 1001 C C . ASP B 2 77 ? 0.209 -24.209 6.452 1.00 66.35 ? 77 ASP B C 1 ATOM 1002 O O . ASP B 2 77 ? 0.416 -24.999 7.376 1.00 67.54 ? 77 ASP B O 1 ATOM 1003 C CB . ASP B 2 77 ? 0.411 -21.811 7.186 1.00 66.86 ? 77 ASP B CB 1 ATOM 1004 C CG . ASP B 2 77 ? -0.111 -20.393 7.039 1.00 77.09 ? 77 ASP B CG 1 ATOM 1005 O OD1 . ASP B 2 77 ? -0.904 -20.143 6.102 1.00 75.56 ? 77 ASP B OD1 1 ATOM 1006 O OD2 . ASP B 2 77 ? 0.312 -19.522 7.828 1.00 85.46 ? 77 ASP B OD2 1 ATOM 1007 N N . ALA B 2 78 ? 0.626 -24.414 5.195 1.00 61.01 ? 78 ALA B N 1 ATOM 1008 C CA . ALA B 2 78 ? 1.391 -25.569 4.727 1.00 60.85 ? 78 ALA B CA 1 ATOM 1009 C C . ALA B 2 78 ? 2.478 -25.097 3.759 1.00 64.09 ? 78 ALA B C 1 ATOM 1010 O O . ALA B 2 78 ? 2.398 -23.980 3.243 1.00 62.93 ? 78 ALA B O 1 ATOM 1011 C CB . ALA B 2 78 ? 0.468 -26.566 4.042 1.00 59.80 ? 78 ALA B CB 1 ATOM 1012 N N . GLU B 2 79 ? 3.500 -25.935 3.529 1.00 61.31 ? 79 GLU B N 1 ATOM 1013 C CA . GLU B 2 79 ? 4.609 -25.599 2.638 1.00 61.28 ? 79 GLU B CA 1 ATOM 1014 C C . GLU B 2 79 ? 4.264 -25.826 1.168 1.00 62.58 ? 79 GLU B C 1 ATOM 1015 O O . GLU B 2 79 ? 3.591 -26.806 0.837 1.00 60.91 ? 79 GLU B O 1 ATOM 1016 C CB . GLU B 2 79 ? 5.882 -26.374 3.024 1.00 65.13 ? 79 GLU B CB 1 ATOM 1017 C CG . GLU B 2 79 ? 6.494 -25.971 4.360 1.00 77.60 ? 79 GLU B CG 1 ATOM 1018 C CD . GLU B 2 79 ? 6.978 -24.537 4.476 1.00 97.50 ? 79 GLU B CD 1 ATOM 1019 O OE1 . GLU B 2 79 ? 7.750 -24.089 3.598 1.00 91.29 ? 79 GLU B OE1 1 ATOM 1020 O OE2 . GLU B 2 79 ? 6.601 -23.868 5.465 1.00 92.39 ? 79 GLU B OE2 1 ATOM 1021 N N . ARG B 2 80 ? 4.738 -24.918 0.288 1.00 58.77 ? 80 ARG B N 1 ATOM 1022 C CA . ARG B 2 80 ? 4.544 -24.987 -1.167 1.00 56.73 ? 80 ARG B CA 1 ATOM 1023 C C . ARG B 2 80 ? 5.384 -26.132 -1.748 1.00 60.87 ? 80 ARG B C 1 ATOM 1024 O O . ARG B 2 80 ? 4.982 -26.751 -2.734 1.00 58.95 ? 80 ARG B O 1 ATOM 1025 C CB . ARG B 2 80 ? 4.908 -23.639 -1.825 1.00 57.16 ? 80 ARG B CB 1 ATOM 1026 C CG . ARG B 2 80 ? 4.472 -23.498 -3.287 1.00 65.96 ? 80 ARG B CG 1 ATOM 1027 C CD . ARG B 2 80 ? 5.644 -23.711 -4.230 1.00 78.06 ? 80 ARG B CD 1 ATOM 1028 N NE . ARG B 2 80 ? 5.248 -23.812 -5.636 1.00 85.61 ? 80 ARG B NE 1 ATOM 1029 C CZ . ARG B 2 80 ? 4.879 -24.937 -6.242 1.00 99.59 ? 80 ARG B CZ 1 ATOM 1030 N NH1 . ARG B 2 80 ? 4.811 -26.076 -5.562 1.00 87.80 ? 80 ARG B NH1 1 ATOM 1031 N NH2 . ARG B 2 80 ? 4.569 -24.932 -7.529 1.00 85.80 ? 80 ARG B NH2 1 ATOM 1032 N N . ALA B 2 81 ? 6.547 -26.402 -1.124 1.00 59.60 ? 81 ALA B N 1 ATOM 1033 C CA . ALA B 2 81 ? 7.501 -27.454 -1.478 1.00 60.74 ? 81 ALA B CA 1 ATOM 1034 C C . ALA B 2 81 ? 6.862 -28.850 -1.467 1.00 63.83 ? 81 ALA B C 1 ATOM 1035 O O . ALA B 2 81 ? 7.194 -29.682 -2.313 1.00 63.57 ? 81 ALA B O 1 ATOM 1036 C CB . ALA B 2 81 ? 8.673 -27.414 -0.512 1.00 64.52 ? 81 ALA B CB 1 ATOM 1037 N N . GLY B 2 82 ? 5.949 -29.073 -0.520 1.00 59.81 ? 82 GLY B N 1 ATOM 1038 C CA . GLY B 2 82 ? 5.233 -30.331 -0.343 1.00 59.40 ? 82 GLY B CA 1 ATOM 1039 C C . GLY B 2 82 ? 4.144 -30.608 -1.361 1.00 60.62 ? 82 GLY B C 1 ATOM 1040 O O . GLY B 2 82 ? 3.665 -31.742 -1.444 1.00 60.30 ? 82 GLY B O 1 ATOM 1041 N N . LEU B 2 83 ? 3.732 -29.578 -2.134 1.00 55.27 ? 83 LEU B N 1 ATOM 1042 C CA . LEU B 2 83 ? 2.696 -29.697 -3.164 1.00 53.07 ? 83 LEU B CA 1 ATOM 1043 C C . LEU B 2 83 ? 3.207 -30.509 -4.356 1.00 57.24 ? 83 LEU B C 1 ATOM 1044 O O . LEU B 2 83 ? 4.305 -30.249 -4.854 1.00 57.55 ? 83 LEU B O 1 ATOM 1045 C CB . LEU B 2 83 ? 2.195 -28.304 -3.608 1.00 51.51 ? 83 LEU B CB 1 ATOM 1046 C CG . LEU B 2 83 ? 1.089 -28.246 -4.674 1.00 54.29 ? 83 LEU B CG 1 ATOM 1047 C CD1 . LEU B 2 83 ? -0.292 -28.419 -4.057 1.00 53.67 ? 83 LEU B CD1 1 ATOM 1048 C CD2 . LEU B 2 83 ? 1.143 -26.937 -5.431 1.00 55.95 ? 83 LEU B CD2 1 ATOM 1049 N N . PHE B 2 84 ? 2.410 -31.500 -4.796 1.00 53.59 ? 84 PHE B N 1 ATOM 1050 C CA . PHE B 2 84 ? 2.749 -32.377 -5.917 1.00 53.87 ? 84 PHE B CA 1 ATOM 1051 C C . PHE B 2 84 ? 1.563 -32.657 -6.837 1.00 56.53 ? 84 PHE B C 1 ATOM 1052 O O . PHE B 2 84 ? 0.419 -32.703 -6.381 1.00 55.35 ? 84 PHE B O 1 ATOM 1053 C CB . PHE B 2 84 ? 3.383 -33.694 -5.421 1.00 58.00 ? 84 PHE B CB 1 ATOM 1054 C CG . PHE B 2 84 ? 2.486 -34.611 -4.617 1.00 60.20 ? 84 PHE B CG 1 ATOM 1055 C CD1 . PHE B 2 84 ? 1.762 -35.624 -5.237 1.00 63.41 ? 84 PHE B CD1 1 ATOM 1056 C CD2 . PHE B 2 84 ? 2.405 -34.494 -3.234 1.00 63.24 ? 84 PHE B CD2 1 ATOM 1057 C CE1 . PHE B 2 84 ? 0.943 -36.479 -4.492 1.00 65.34 ? 84 PHE B CE1 1 ATOM 1058 C CE2 . PHE B 2 84 ? 1.594 -35.357 -2.488 1.00 67.00 ? 84 PHE B CE2 1 ATOM 1059 C CZ . PHE B 2 84 ? 0.867 -36.342 -3.123 1.00 65.23 ? 84 PHE B CZ 1 ATOM 1060 N N . VAL B 2 85 ? 1.851 -32.854 -8.134 1.00 53.18 ? 85 VAL B N 1 ATOM 1061 C CA . VAL B 2 85 ? 0.878 -33.186 -9.181 1.00 52.23 ? 85 VAL B CA 1 ATOM 1062 C C . VAL B 2 85 ? 1.427 -34.418 -9.924 1.00 58.05 ? 85 VAL B C 1 ATOM 1063 O O . VAL B 2 85 ? 2.618 -34.449 -10.243 1.00 58.62 ? 85 VAL B O 1 ATOM 1064 C CB . VAL B 2 85 ? 0.585 -31.997 -10.150 1.00 54.47 ? 85 VAL B CB 1 ATOM 1065 C CG1 . VAL B 2 85 ? -0.487 -32.364 -11.176 1.00 53.66 ? 85 VAL B CG1 1 ATOM 1066 C CG2 . VAL B 2 85 ? 0.176 -30.735 -9.391 1.00 53.19 ? 85 VAL B CG2 1 ATOM 1067 N N . ARG B 2 86 ? 0.576 -35.439 -10.166 1.00 55.40 ? 86 ARG B N 1 ATOM 1068 C CA . ARG B 2 86 ? 0.971 -36.668 -10.868 1.00 57.14 ? 86 ARG B CA 1 ATOM 1069 C C . ARG B 2 86 ? -0.171 -37.350 -11.628 1.00 61.44 ? 86 ARG B C 1 ATOM 1070 O O . ARG B 2 86 ? -1.327 -37.270 -11.211 1.00 60.33 ? 86 ARG B O 1 ATOM 1071 C CB . ARG B 2 86 ? 1.697 -37.665 -9.933 1.00 59.72 ? 86 ARG B CB 1 ATOM 1072 C CG . ARG B 2 86 ? 0.880 -38.161 -8.739 1.00 70.73 ? 86 ARG B CG 1 ATOM 1073 C CD . ARG B 2 86 ? 1.581 -39.275 -7.981 1.00 83.37 ? 86 ARG B CD 1 ATOM 1074 N NE . ARG B 2 86 ? 1.519 -40.556 -8.689 1.00 94.04 ? 86 ARG B NE 1 ATOM 1075 C CZ . ARG B 2 86 ? 2.554 -41.138 -9.290 1.00 109.64 ? 86 ARG B CZ 1 ATOM 1076 N NH1 . ARG B 2 86 ? 3.751 -40.564 -9.271 1.00 97.03 ? 86 ARG B NH1 1 ATOM 1077 N NH2 . ARG B 2 86 ? 2.401 -42.301 -9.908 1.00 97.86 ? 86 ARG B NH2 1 ATOM 1078 N N . THR B 2 87 ? 0.166 -38.022 -12.743 1.00 59.37 ? 87 THR B N 1 ATOM 1079 C CA . THR B 2 87 ? -0.775 -38.789 -13.564 1.00 60.03 ? 87 THR B CA 1 ATOM 1080 C C . THR B 2 87 ? -0.384 -40.262 -13.426 1.00 67.03 ? 87 THR B C 1 ATOM 1081 O O . THR B 2 87 ? -0.783 -40.900 -12.450 1.00 67.80 ? 87 THR B O 1 ATOM 1082 C CB . THR B 2 87 ? -0.850 -38.252 -15.010 1.00 67.17 ? 87 THR B CB 1 ATOM 1083 O OG1 . THR B 2 87 ? 0.465 -38.161 -15.561 1.00 67.58 ? 87 THR B OG1 1 ATOM 1084 C CG2 . THR B 2 87 ? -1.558 -36.908 -15.101 1.00 63.07 ? 87 THR B CG2 1 ATOM 1085 N N . SER B 2 88 ? 0.438 -40.781 -14.356 1.00 65.12 ? 88 SER B N 1 ATOM 1086 C CA . SER B 2 88 ? 0.979 -42.140 -14.306 1.00 68.17 ? 88 SER B CA 1 ATOM 1087 C C . SER B 2 88 ? 2.373 -42.056 -13.669 1.00 72.88 ? 88 SER B C 1 ATOM 1088 O O . SER B 2 88 ? 2.891 -43.049 -13.155 1.00 75.08 ? 88 SER B O 1 ATOM 1089 C CB . SER B 2 88 ? 1.072 -42.732 -15.709 1.00 73.07 ? 88 SER B CB 1 ATOM 1090 O OG . SER B 2 88 ? 1.929 -41.969 -16.542 1.00 80.72 ? 88 SER B OG 1 ATOM 1091 N N . ALA B 2 89 ? 2.961 -40.844 -13.708 1.00 67.44 ? 89 ALA B N 1 ATOM 1092 C CA . ALA B 2 89 ? 4.275 -40.469 -13.183 1.00 67.77 ? 89 ALA B CA 1 ATOM 1093 C C . ALA B 2 89 ? 4.219 -38.987 -12.714 1.00 69.02 ? 89 ALA B C 1 ATOM 1094 O O . ALA B 2 89 ? 3.265 -38.297 -13.090 1.00 66.50 ? 89 ALA B O 1 ATOM 1095 C CB . ALA B 2 89 ? 5.324 -40.641 -14.277 1.00 69.70 ? 89 ALA B CB 1 ATOM 1096 N N . PRO B 2 90 ? 5.193 -38.464 -11.912 1.00 65.87 ? 90 PRO B N 1 ATOM 1097 C CA . PRO B 2 90 ? 5.103 -37.056 -11.467 1.00 63.49 ? 90 PRO B CA 1 ATOM 1098 C C . PRO B 2 90 ? 5.097 -36.012 -12.583 1.00 65.72 ? 90 PRO B C 1 ATOM 1099 O O . PRO B 2 90 ? 5.739 -36.204 -13.617 1.00 66.04 ? 90 PRO B O 1 ATOM 1100 C CB . PRO B 2 90 ? 6.321 -36.890 -10.551 1.00 66.69 ? 90 PRO B CB 1 ATOM 1101 C CG . PRO B 2 90 ? 6.691 -38.268 -10.144 1.00 73.86 ? 90 PRO B CG 1 ATOM 1102 C CD . PRO B 2 90 ? 6.383 -39.120 -11.331 1.00 70.03 ? 90 PRO B CD 1 ATOM 1103 N N . CYS B 2 91 ? 4.353 -34.912 -12.365 1.00 60.36 ? 91 CYS B N 1 ATOM 1104 C CA . CYS B 2 91 ? 4.214 -33.793 -13.302 1.00 58.76 ? 91 CYS B CA 1 ATOM 1105 C C . CYS B 2 91 ? 5.175 -32.657 -12.960 1.00 62.58 ? 91 CYS B C 1 ATOM 1106 O O . CYS B 2 91 ? 5.659 -32.571 -11.830 1.00 62.96 ? 91 CYS B O 1 ATOM 1107 C CB . CYS B 2 91 ? 2.772 -33.292 -13.336 1.00 57.31 ? 91 CYS B CB 1 ATOM 1108 S SG . CYS B 2 91 ? 1.560 -34.527 -13.867 1.00 61.61 ? 91 CYS B SG 1 ATOM 1109 N N . THR B 2 92 ? 5.418 -31.766 -13.935 1.00 58.48 ? 92 THR B N 1 ATOM 1110 C CA . THR B 2 92 ? 6.266 -30.588 -13.769 1.00 58.44 ? 92 THR B CA 1 ATOM 1111 C C . THR B 2 92 ? 5.340 -29.383 -13.578 1.00 60.42 ? 92 THR B C 1 ATOM 1112 O O . THR B 2 92 ? 4.637 -28.998 -14.515 1.00 59.09 ? 92 THR B O 1 ATOM 1113 C CB . THR B 2 92 ? 7.233 -30.444 -14.962 1.00 67.56 ? 92 THR B CB 1 ATOM 1114 O OG1 . THR B 2 92 ? 7.996 -31.645 -15.099 1.00 69.18 ? 92 THR B OG1 1 ATOM 1115 C CG2 . THR B 2 92 ? 8.176 -29.252 -14.819 1.00 66.91 ? 92 THR B CG2 1 ATOM 1116 N N . ILE B 2 93 ? 5.313 -28.818 -12.357 1.00 56.56 ? 93 ILE B N 1 ATOM 1117 C CA . ILE B 2 93 ? 4.474 -27.659 -12.037 1.00 54.97 ? 93 ILE B CA 1 ATOM 1118 C C . ILE B 2 93 ? 5.132 -26.391 -12.591 1.00 59.17 ? 93 ILE B C 1 ATOM 1119 O O . ILE B 2 93 ? 6.272 -26.083 -12.236 1.00 60.19 ? 93 ILE B O 1 ATOM 1120 C CB . ILE B 2 93 ? 4.121 -27.563 -10.522 1.00 57.98 ? 93 ILE B CB 1 ATOM 1121 C CG1 . ILE B 2 93 ? 3.465 -28.872 -10.011 1.00 58.26 ? 93 ILE B CG1 1 ATOM 1122 C CG2 . ILE B 2 93 ? 3.209 -26.359 -10.256 1.00 57.54 ? 93 ILE B CG2 1 ATOM 1123 C CD1 . ILE B 2 93 ? 3.662 -29.175 -8.515 1.00 66.38 ? 93 ILE B CD1 1 ATOM 1124 N N . THR B 2 94 ? 4.417 -25.678 -13.480 1.00 54.78 ? 94 THR B N 1 ATOM 1125 C CA . THR B 2 94 ? 4.902 -24.460 -14.140 1.00 55.20 ? 94 THR B CA 1 ATOM 1126 C C . THR B 2 94 ? 4.434 -23.144 -13.502 1.00 58.79 ? 94 THR B C 1 ATOM 1127 O O . THR B 2 94 ? 5.096 -22.119 -13.678 1.00 59.63 ? 94 THR B O 1 ATOM 1128 C CB . THR B 2 94 ? 4.674 -24.522 -15.662 1.00 63.08 ? 94 THR B CB 1 ATOM 1129 O OG1 . THR B 2 94 ? 3.316 -24.872 -15.932 1.00 61.03 ? 94 THR B OG1 1 ATOM 1130 C CG2 . THR B 2 94 ? 5.611 -25.505 -16.356 1.00 62.77 ? 94 THR B CG2 1 ATOM 1131 N N . GLY B 2 95 ? 3.317 -23.184 -12.774 1.00 54.07 ? 95 GLY B N 1 ATOM 1132 C CA . GLY B 2 95 ? 2.754 -22.014 -12.105 1.00 53.87 ? 95 GLY B CA 1 ATOM 1133 C C . GLY B 2 95 ? 1.698 -22.341 -11.069 1.00 56.65 ? 95 GLY B C 1 ATOM 1134 O O . GLY B 2 95 ? 0.911 -23.272 -11.260 1.00 55.08 ? 95 GLY B O 1 ATOM 1135 N N . THR B 2 96 ? 1.679 -21.573 -9.957 1.00 53.78 ? 96 THR B N 1 ATOM 1136 C CA . THR B 2 96 ? 0.731 -21.728 -8.843 1.00 52.93 ? 96 THR B CA 1 ATOM 1137 C C . THR B 2 96 ? 0.299 -20.374 -8.278 1.00 57.36 ? 96 THR B C 1 ATOM 1138 O O . THR B 2 96 ? 1.150 -19.529 -7.990 1.00 58.54 ? 96 THR B O 1 ATOM 1139 C CB . THR B 2 96 ? 1.318 -22.592 -7.710 1.00 61.41 ? 96 THR B CB 1 ATOM 1140 O OG1 . THR B 2 96 ? 2.655 -22.179 -7.424 1.00 62.73 ? 96 THR B OG1 1 ATOM 1141 C CG2 . THR B 2 96 ? 1.259 -24.080 -8.000 1.00 59.32 ? 96 THR B CG2 1 ATOM 1142 N N . MET B 2 97 ? -1.026 -20.183 -8.109 1.00 52.92 ? 97 MET B N 1 ATOM 1143 C CA . MET B 2 97 ? -1.651 -18.979 -7.547 1.00 53.28 ? 97 MET B CA 1 ATOM 1144 C C . MET B 2 97 ? -3.103 -19.281 -7.181 1.00 55.83 ? 97 MET B C 1 ATOM 1145 O O . MET B 2 97 ? -3.902 -19.625 -8.058 1.00 54.51 ? 97 MET B O 1 ATOM 1146 C CB . MET B 2 97 ? -1.552 -17.775 -8.514 1.00 56.55 ? 97 MET B CB 1 ATOM 1147 C CG . MET B 2 97 ? -1.883 -16.421 -7.875 1.00 61.63 ? 97 MET B CG 1 ATOM 1148 S SD . MET B 2 97 ? -0.921 -15.961 -6.397 1.00 67.67 ? 97 MET B SD 1 ATOM 1149 C CE . MET B 2 97 ? 0.723 -15.798 -7.093 1.00 65.79 ? 97 MET B CE 1 ATOM 1150 N N . GLY B 2 98 ? -3.410 -19.170 -5.888 1.00 52.63 ? 98 GLY B N 1 ATOM 1151 C CA . GLY B 2 98 ? -4.735 -19.427 -5.333 1.00 51.74 ? 98 GLY B CA 1 ATOM 1152 C C . GLY B 2 98 ? -5.195 -20.853 -5.551 1.00 54.19 ? 98 GLY B C 1 ATOM 1153 O O . GLY B 2 98 ? -4.453 -21.795 -5.264 1.00 53.84 ? 98 GLY B O 1 ATOM 1154 N N . HIS B 2 99 ? -6.405 -21.017 -6.111 1.00 49.76 ? 99 HIS B N 1 ATOM 1155 C CA . HIS B 2 99 ? -7.001 -22.322 -6.409 1.00 48.67 ? 99 HIS B CA 1 ATOM 1156 C C . HIS B 2 99 ? -6.428 -22.977 -7.678 1.00 51.76 ? 99 HIS B C 1 ATOM 1157 O O . HIS B 2 99 ? -6.796 -24.113 -7.985 1.00 50.86 ? 99 HIS B O 1 ATOM 1158 C CB . HIS B 2 99 ? -8.530 -22.183 -6.556 1.00 49.26 ? 99 HIS B CB 1 ATOM 1159 C CG . HIS B 2 99 ? -9.254 -21.850 -5.289 1.00 53.11 ? 99 HIS B CG 1 ATOM 1160 N ND1 . HIS B 2 99 ? -9.308 -22.740 -4.230 1.00 54.98 ? 99 HIS B ND1 1 ATOM 1161 C CD2 . HIS B 2 99 ? -9.983 -20.754 -4.975 1.00 55.40 ? 99 HIS B CD2 1 ATOM 1162 C CE1 . HIS B 2 99 ? -10.040 -22.147 -3.301 1.00 54.98 ? 99 HIS B CE1 1 ATOM 1163 N NE2 . HIS B 2 99 ? -10.470 -20.952 -3.705 1.00 55.58 ? 99 HIS B NE2 1 ATOM 1164 N N . PHE B 2 100 ? -5.535 -22.279 -8.409 1.00 48.46 ? 100 PHE B N 1 ATOM 1165 C CA . PHE B 2 100 ? -5.010 -22.766 -9.684 1.00 48.00 ? 100 PHE B CA 1 ATOM 1166 C C . PHE B 2 100 ? -3.562 -23.233 -9.748 1.00 51.98 ? 100 PHE B C 1 ATOM 1167 O O . PHE B 2 100 ? -2.672 -22.612 -9.166 1.00 52.25 ? 100 PHE B O 1 ATOM 1168 C CB . PHE B 2 100 ? -5.349 -21.788 -10.819 1.00 50.01 ? 100 PHE B CB 1 ATOM 1169 C CG . PHE B 2 100 ? -6.837 -21.640 -11.035 1.00 51.33 ? 100 PHE B CG 1 ATOM 1170 C CD1 . PHE B 2 100 ? -7.511 -22.462 -11.930 1.00 54.10 ? 100 PHE B CD1 1 ATOM 1171 C CD2 . PHE B 2 100 ? -7.571 -20.702 -10.317 1.00 53.78 ? 100 PHE B CD2 1 ATOM 1172 C CE1 . PHE B 2 100 ? -8.889 -22.333 -12.120 1.00 55.16 ? 100 PHE B CE1 1 ATOM 1173 C CE2 . PHE B 2 100 ? -8.951 -20.592 -10.489 1.00 56.67 ? 100 PHE B CE2 1 ATOM 1174 C CZ . PHE B 2 100 ? -9.600 -21.400 -11.397 1.00 54.55 ? 100 PHE B CZ 1 ATOM 1175 N N . ILE B 2 101 ? -3.347 -24.345 -10.482 1.00 48.18 ? 101 ILE B N 1 ATOM 1176 C CA . ILE B 2 101 ? -2.051 -24.993 -10.721 1.00 48.54 ? 101 ILE B CA 1 ATOM 1177 C C . ILE B 2 101 ? -1.875 -25.222 -12.229 1.00 52.25 ? 101 ILE B C 1 ATOM 1178 O O . ILE B 2 101 ? -2.797 -25.702 -12.894 1.00 51.44 ? 101 ILE B O 1 ATOM 1179 C CB . ILE B 2 101 ? -1.914 -26.350 -9.947 1.00 51.90 ? 101 ILE B CB 1 ATOM 1180 C CG1 . ILE B 2 101 ? -2.208 -26.208 -8.444 1.00 52.51 ? 101 ILE B CG1 1 ATOM 1181 C CG2 . ILE B 2 101 ? -0.538 -27.006 -10.171 1.00 53.43 ? 101 ILE B CG2 1 ATOM 1182 C CD1 . ILE B 2 101 ? -2.917 -27.397 -7.824 1.00 59.78 ? 101 ILE B CD1 1 ATOM 1183 N N . LEU B 2 102 ? -0.680 -24.905 -12.750 1.00 49.27 ? 102 LEU B N 1 ATOM 1184 C CA . LEU B 2 102 ? -0.302 -25.149 -14.140 1.00 49.27 ? 102 LEU B CA 1 ATOM 1185 C C . LEU B 2 102 ? 0.705 -26.290 -14.131 1.00 54.03 ? 102 LEU B C 1 ATOM 1186 O O . LEU B 2 102 ? 1.688 -26.226 -13.388 1.00 54.45 ? 102 LEU B O 1 ATOM 1187 C CB . LEU B 2 102 ? 0.310 -23.900 -14.800 1.00 49.92 ? 102 LEU B CB 1 ATOM 1188 C CG . LEU B 2 102 ? -0.583 -22.678 -15.022 1.00 54.30 ? 102 LEU B CG 1 ATOM 1189 C CD1 . LEU B 2 102 ? 0.100 -21.700 -15.945 1.00 55.46 ? 102 LEU B CD1 1 ATOM 1190 C CD2 . LEU B 2 102 ? -1.940 -23.063 -15.598 1.00 55.93 ? 102 LEU B CD2 1 ATOM 1191 N N . ALA B 2 103 ? 0.447 -27.353 -14.910 1.00 50.69 ? 103 ALA B N 1 ATOM 1192 C CA . ALA B 2 103 ? 1.332 -28.516 -14.934 1.00 51.54 ? 103 ALA B CA 1 ATOM 1193 C C . ALA B 2 103 ? 1.485 -29.181 -16.294 1.00 56.12 ? 103 ALA B C 1 ATOM 1194 O O . ALA B 2 103 ? 0.533 -29.235 -17.075 1.00 55.21 ? 103 ALA B O 1 ATOM 1195 C CB . ALA B 2 103 ? 0.876 -29.543 -13.905 1.00 52.32 ? 103 ALA B CB 1 ATOM 1196 N N . ARG B 2 104 ? 2.695 -29.703 -16.557 1.00 54.10 ? 104 ARG B N 1 ATOM 1197 C CA . ARG B 2 104 ? 3.042 -30.465 -17.754 1.00 55.01 ? 104 ARG B CA 1 ATOM 1198 C C . ARG B 2 104 ? 3.109 -31.919 -17.294 1.00 59.96 ? 104 ARG B C 1 ATOM 1199 O O . ARG B 2 104 ? 3.966 -32.272 -16.478 1.00 60.50 ? 104 ARG B O 1 ATOM 1200 C CB . ARG B 2 104 ? 4.375 -29.992 -18.358 1.00 56.59 ? 104 ARG B CB 1 ATOM 1201 C CG . ARG B 2 104 ? 4.278 -28.645 -19.068 1.00 67.28 ? 104 ARG B CG 1 ATOM 1202 C CD . ARG B 2 104 ? 5.462 -28.386 -19.984 1.00 80.08 ? 104 ARG B CD 1 ATOM 1203 N NE . ARG B 2 104 ? 5.419 -29.210 -21.196 1.00 90.52 ? 104 ARG B NE 1 ATOM 1204 C CZ . ARG B 2 104 ? 4.808 -28.860 -22.324 1.00 104.36 ? 104 ARG B CZ 1 ATOM 1205 N NH1 . ARG B 2 104 ? 4.177 -27.695 -22.413 1.00 91.06 ? 104 ARG B NH1 1 ATOM 1206 N NH2 . ARG B 2 104 ? 4.820 -29.674 -23.371 1.00 91.24 ? 104 ARG B NH2 1 ATOM 1207 N N . CYS B 2 105 ? 2.148 -32.736 -17.753 1.00 56.61 ? 105 CYS B N 1 ATOM 1208 C CA . CYS B 2 105 ? 1.990 -34.128 -17.337 1.00 57.61 ? 105 CYS B CA 1 ATOM 1209 C C . CYS B 2 105 ? 2.250 -35.166 -18.428 1.00 62.98 ? 105 CYS B C 1 ATOM 1210 O O . CYS B 2 105 ? 1.829 -34.956 -19.567 1.00 62.55 ? 105 CYS B O 1 ATOM 1211 C CB . CYS B 2 105 ? 0.609 -34.329 -16.720 1.00 57.13 ? 105 CYS B CB 1 ATOM 1212 S SG . CYS B 2 105 ? 0.370 -33.483 -15.139 1.00 59.72 ? 105 CYS B SG 1 ATOM 1213 N N . PRO B 2 106 ? 2.831 -36.346 -18.084 1.00 61.11 ? 106 PRO B N 1 ATOM 1214 C CA . PRO B 2 106 ? 2.978 -37.405 -19.099 1.00 62.73 ? 106 PRO B CA 1 ATOM 1215 C C . PRO B 2 106 ? 1.641 -38.131 -19.319 1.00 66.53 ? 106 PRO B C 1 ATOM 1216 O O . PRO B 2 106 ? 0.681 -37.859 -18.592 1.00 64.84 ? 106 PRO B O 1 ATOM 1217 C CB . PRO B 2 106 ? 4.044 -38.323 -18.497 1.00 66.59 ? 106 PRO B CB 1 ATOM 1218 C CG . PRO B 2 106 ? 3.907 -38.152 -17.026 1.00 70.40 ? 106 PRO B CG 1 ATOM 1219 C CD . PRO B 2 106 ? 3.348 -36.780 -16.766 1.00 63.38 ? 106 PRO B CD 1 ATOM 1220 N N . LYS B 2 107 ? 1.574 -39.046 -20.313 1.00 64.73 ? 107 LYS B N 1 ATOM 1221 C CA . LYS B 2 107 ? 0.365 -39.813 -20.645 1.00 65.34 ? 107 LYS B CA 1 ATOM 1222 C C . LYS B 2 107 ? -0.164 -40.593 -19.430 1.00 69.76 ? 107 LYS B C 1 ATOM 1223 O O . LYS B 2 107 ? 0.609 -41.272 -18.752 1.00 70.84 ? 107 LYS B O 1 ATOM 1224 C CB . LYS B 2 107 ? 0.618 -40.749 -21.844 1.00 70.29 ? 107 LYS B CB 1 ATOM 1225 C CG . LYS B 2 107 ? -0.648 -41.358 -22.444 1.00 85.36 ? 107 LYS B CG 1 ATOM 1226 C CD . LYS B 2 107 ? -0.327 -42.439 -23.465 1.00 98.13 ? 107 LYS B CD 1 ATOM 1227 C CE . LYS B 2 107 ? -1.551 -43.233 -23.848 1.00 110.41 ? 107 LYS B CE 1 ATOM 1228 N NZ . LYS B 2 107 ? -1.240 -44.267 -24.869 1.00 122.72 ? 107 LYS B NZ 1 ATOM 1229 N N . GLY B 2 108 ? -1.462 -40.452 -19.158 1.00 65.29 ? 108 GLY B N 1 ATOM 1230 C CA . GLY B 2 108 ? -2.121 -41.106 -18.032 1.00 65.78 ? 108 GLY B CA 1 ATOM 1231 C C . GLY B 2 108 ? -3.625 -41.248 -18.158 1.00 69.60 ? 108 GLY B C 1 ATOM 1232 O O . GLY B 2 108 ? -4.229 -40.751 -19.114 1.00 68.60 ? 108 GLY B O 1 ATOM 1233 N N . GLU B 2 109 ? -4.238 -41.934 -17.175 1.00 67.01 ? 109 GLU B N 1 ATOM 1234 C CA . GLU B 2 109 ? -5.683 -42.183 -17.111 1.00 67.21 ? 109 GLU B CA 1 ATOM 1235 C C . GLU B 2 109 ? -6.332 -41.583 -15.852 1.00 68.86 ? 109 GLU B C 1 ATOM 1236 O O . GLU B 2 109 ? -7.562 -41.535 -15.757 1.00 68.36 ? 109 GLU B O 1 ATOM 1237 C CB . GLU B 2 109 ? -5.991 -43.688 -17.238 1.00 72.19 ? 109 GLU B CB 1 ATOM 1238 C CG . GLU B 2 109 ? -5.619 -44.300 -18.583 1.00 85.05 ? 109 GLU B CG 1 ATOM 1239 C CD . GLU B 2 109 ? -6.336 -43.757 -19.807 1.00 105.89 ? 109 GLU B CD 1 ATOM 1240 O OE1 . GLU B 2 109 ? -7.577 -43.596 -19.755 1.00 102.21 ? 109 GLU B OE1 1 ATOM 1241 O OE2 . GLU B 2 109 ? -5.655 -43.517 -20.830 1.00 99.47 ? 109 GLU B OE2 1 ATOM 1242 N N . THR B 2 110 ? -5.501 -41.104 -14.904 1.00 63.82 ? 110 THR B N 1 ATOM 1243 C CA . THR B 2 110 ? -5.923 -40.465 -13.650 1.00 61.98 ? 110 THR B CA 1 ATOM 1244 C C . THR B 2 110 ? -5.097 -39.196 -13.404 1.00 62.96 ? 110 THR B C 1 ATOM 1245 O O . THR B 2 110 ? -4.032 -39.039 -14.001 1.00 62.28 ? 110 THR B O 1 ATOM 1246 C CB . THR B 2 110 ? -5.781 -41.431 -12.453 1.00 71.43 ? 110 THR B CB 1 ATOM 1247 O OG1 . THR B 2 110 ? -4.447 -41.941 -12.401 1.00 71.91 ? 110 THR B OG1 1 ATOM 1248 C CG2 . THR B 2 110 ? -6.796 -42.571 -12.477 1.00 72.51 ? 110 THR B CG2 1 ATOM 1249 N N . LEU B 2 111 ? -5.587 -38.296 -12.530 1.00 57.57 ? 111 LEU B N 1 ATOM 1250 C CA . LEU B 2 111 ? -4.883 -37.069 -12.155 1.00 55.29 ? 111 LEU B CA 1 ATOM 1251 C C . LEU B 2 111 ? -4.930 -36.904 -10.636 1.00 58.85 ? 111 LEU B C 1 ATOM 1252 O O . LEU B 2 111 ? -6.015 -36.858 -10.052 1.00 58.26 ? 111 LEU B O 1 ATOM 1253 C CB . LEU B 2 111 ? -5.447 -35.831 -12.879 1.00 53.39 ? 111 LEU B CB 1 ATOM 1254 C CG . LEU B 2 111 ? -4.519 -34.611 -12.930 1.00 56.54 ? 111 LEU B CG 1 ATOM 1255 C CD1 . LEU B 2 111 ? -4.498 -33.997 -14.310 1.00 56.13 ? 111 LEU B CD1 1 ATOM 1256 C CD2 . LEU B 2 111 ? -4.910 -33.570 -11.896 1.00 57.72 ? 111 LEU B CD2 1 ATOM 1257 N N . THR B 2 112 ? -3.747 -36.841 -10.005 1.00 55.67 ? 112 THR B N 1 ATOM 1258 C CA . THR B 2 112 ? -3.590 -36.710 -8.557 1.00 55.77 ? 112 THR B CA 1 ATOM 1259 C C . THR B 2 112 ? -2.890 -35.401 -8.189 1.00 58.22 ? 112 THR B C 1 ATOM 1260 O O . THR B 2 112 ? -1.852 -35.072 -8.762 1.00 57.60 ? 112 THR B O 1 ATOM 1261 C CB . THR B 2 112 ? -2.863 -37.947 -7.985 1.00 66.26 ? 112 THR B CB 1 ATOM 1262 O OG1 . THR B 2 112 ? -3.545 -39.131 -8.399 1.00 67.56 ? 112 THR B OG1 1 ATOM 1263 C CG2 . THR B 2 112 ? -2.747 -37.925 -6.458 1.00 65.58 ? 112 THR B CG2 1 ATOM 1264 N N . VAL B 2 113 ? -3.473 -34.662 -7.230 1.00 54.02 ? 113 VAL B N 1 ATOM 1265 C CA . VAL B 2 113 ? -2.933 -33.414 -6.685 1.00 52.84 ? 113 VAL B CA 1 ATOM 1266 C C . VAL B 2 113 ? -2.899 -33.575 -5.161 1.00 57.94 ? 113 VAL B C 1 ATOM 1267 O O . VAL B 2 113 ? -3.925 -33.885 -4.549 1.00 57.76 ? 113 VAL B O 1 ATOM 1268 C CB . VAL B 2 113 ? -3.708 -32.146 -7.154 1.00 54.82 ? 113 VAL B CB 1 ATOM 1269 C CG1 . VAL B 2 113 ? -3.280 -30.903 -6.376 1.00 54.00 ? 113 VAL B CG1 1 ATOM 1270 C CG2 . VAL B 2 113 ? -3.531 -31.916 -8.653 1.00 53.99 ? 113 VAL B CG2 1 ATOM 1271 N N . GLY B 2 114 ? -1.715 -33.409 -4.580 1.00 55.50 ? 114 GLY B N 1 ATOM 1272 C CA . GLY B 2 114 ? -1.517 -33.555 -3.145 1.00 56.65 ? 114 GLY B CA 1 ATOM 1273 C C . GLY B 2 114 ? -0.575 -32.558 -2.504 1.00 60.79 ? 114 GLY B C 1 ATOM 1274 O O . GLY B 2 114 ? 0.029 -31.733 -3.195 1.00 59.56 ? 114 GLY B O 1 ATOM 1275 N N . PHE B 2 115 ? -0.453 -32.640 -1.161 1.00 58.77 ? 115 PHE B N 1 ATOM 1276 C CA . PHE B 2 115 ? 0.396 -31.784 -0.323 1.00 59.33 ? 115 PHE B CA 1 ATOM 1277 C C . PHE B 2 115 ? 0.664 -32.420 1.057 1.00 65.68 ? 115 PHE B C 1 ATOM 1278 O O . PHE B 2 115 ? 0.012 -33.399 1.427 1.00 65.87 ? 115 PHE B O 1 ATOM 1279 C CB . PHE B 2 115 ? -0.228 -30.373 -0.170 1.00 59.52 ? 115 PHE B CB 1 ATOM 1280 C CG . PHE B 2 115 ? -1.339 -30.247 0.850 1.00 61.03 ? 115 PHE B CG 1 ATOM 1281 C CD1 . PHE B 2 115 ? -1.116 -29.623 2.071 1.00 65.14 ? 115 PHE B CD1 1 ATOM 1282 C CD2 . PHE B 2 115 ? -2.606 -30.756 0.590 1.00 62.34 ? 115 PHE B CD2 1 ATOM 1283 C CE1 . PHE B 2 115 ? -2.140 -29.514 3.016 1.00 66.21 ? 115 PHE B CE1 1 ATOM 1284 C CE2 . PHE B 2 115 ? -3.631 -30.641 1.533 1.00 65.35 ? 115 PHE B CE2 1 ATOM 1285 C CZ . PHE B 2 115 ? -3.390 -30.022 2.740 1.00 64.41 ? 115 PHE B CZ 1 ATOM 1286 N N . THR B 2 116 ? 1.614 -31.838 1.815 1.00 63.95 ? 116 THR B N 1 ATOM 1287 C CA . THR B 2 116 ? 1.990 -32.258 3.169 1.00 66.43 ? 116 THR B CA 1 ATOM 1288 C C . THR B 2 116 ? 1.618 -31.123 4.136 1.00 70.40 ? 116 THR B C 1 ATOM 1289 O O . THR B 2 116 ? 2.016 -29.976 3.914 1.00 69.32 ? 116 THR B O 1 ATOM 1290 C CB . THR B 2 116 ? 3.482 -32.652 3.206 1.00 76.73 ? 116 THR B CB 1 ATOM 1291 O OG1 . THR B 2 116 ? 3.702 -33.719 2.283 1.00 76.77 ? 116 THR B OG1 1 ATOM 1292 C CG2 . THR B 2 116 ? 3.953 -33.076 4.594 1.00 78.11 ? 116 THR B CG2 1 ATOM 1293 N N . ASP B 2 117 ? 0.841 -31.440 5.190 1.00 67.97 ? 117 ASP B N 1 ATOM 1294 C CA . ASP B 2 117 ? 0.395 -30.445 6.169 1.00 67.97 ? 117 ASP B CA 1 ATOM 1295 C C . ASP B 2 117 ? 1.433 -30.114 7.261 1.00 74.49 ? 117 ASP B C 1 ATOM 1296 O O . ASP B 2 117 ? 2.627 -30.345 7.056 1.00 75.46 ? 117 ASP B O 1 ATOM 1297 C CB . ASP B 2 117 ? -1.006 -30.785 6.731 1.00 69.55 ? 117 ASP B CB 1 ATOM 1298 C CG . ASP B 2 117 ? -1.122 -32.044 7.573 1.00 82.17 ? 117 ASP B CG 1 ATOM 1299 O OD1 . ASP B 2 117 ? -0.362 -32.177 8.560 1.00 85.12 ? 117 ASP B OD1 1 ATOM 1300 O OD2 . ASP B 2 117 ? -2.046 -32.841 7.316 1.00 87.79 ? 117 ASP B OD2 1 ATOM 1301 N N . SER B 2 118 ? 0.975 -29.553 8.404 1.00 71.90 ? 118 SER B N 1 ATOM 1302 C CA . SER B 2 118 ? 1.812 -29.159 9.540 1.00 74.41 ? 118 SER B CA 1 ATOM 1303 C C . SER B 2 118 ? 2.463 -30.369 10.215 1.00 80.95 ? 118 SER B C 1 ATOM 1304 O O . SER B 2 118 ? 3.692 -30.444 10.267 1.00 82.44 ? 118 SER B O 1 ATOM 1305 C CB . SER B 2 118 ? 1.001 -28.352 10.551 1.00 78.29 ? 118 SER B CB 1 ATOM 1306 O OG . SER B 2 118 ? 0.389 -27.224 9.948 1.00 84.60 ? 118 SER B OG 1 ATOM 1307 N N . ARG B 2 119 ? 1.644 -31.322 10.705 1.00 77.92 ? 119 ARG B N 1 ATOM 1308 C CA . ARG B 2 119 ? 2.124 -32.540 11.368 1.00 80.74 ? 119 ARG B CA 1 ATOM 1309 C C . ARG B 2 119 ? 2.212 -33.702 10.367 1.00 83.82 ? 119 ARG B C 1 ATOM 1310 O O . ARG B 2 119 ? 1.656 -34.779 10.600 1.00 84.48 ? 119 ARG B O 1 ATOM 1311 C CB . ARG B 2 119 ? 1.306 -32.906 12.641 1.00 82.92 ? 119 ARG B CB 1 ATOM 1312 C CG . ARG B 2 119 ? 0.039 -32.080 12.964 1.00 91.47 ? 119 ARG B CG 1 ATOM 1313 C CD . ARG B 2 119 ? 0.285 -30.704 13.598 1.00 100.95 ? 119 ARG B CD 1 ATOM 1314 N NE . ARG B 2 119 ? 1.405 -30.683 14.545 1.00 111.49 ? 119 ARG B NE 1 ATOM 1315 C CZ . ARG B 2 119 ? 2.347 -29.743 14.577 1.00 125.35 ? 119 ARG B CZ 1 ATOM 1316 N NH1 . ARG B 2 119 ? 2.310 -28.727 13.723 1.00 109.64 ? 119 ARG B NH1 1 ATOM 1317 N NH2 . ARG B 2 119 ? 3.330 -29.811 15.463 1.00 115.26 ? 119 ARG B NH2 1 ATOM 1318 N N . LYS B 2 120 ? 2.942 -33.462 9.250 1.00 78.72 ? 120 LYS B N 1 ATOM 1319 C CA . LYS B 2 120 ? 3.153 -34.376 8.121 1.00 77.81 ? 120 LYS B CA 1 ATOM 1320 C C . LYS B 2 120 ? 1.827 -34.655 7.379 1.00 78.88 ? 120 LYS B C 1 ATOM 1321 O O . LYS B 2 120 ? 1.384 -33.773 6.644 1.00 75.64 ? 120 LYS B O 1 ATOM 1322 C CB . LYS B 2 120 ? 3.989 -35.632 8.518 1.00 83.84 ? 120 LYS B CB 1 ATOM 1323 C CG . LYS B 2 120 ? 4.192 -36.725 7.452 1.00 97.83 ? 120 LYS B CG 1 ATOM 1324 C CD . LYS B 2 120 ? 5.076 -36.331 6.276 1.00 106.14 ? 120 LYS B CD 1 ATOM 1325 C CE . LYS B 2 120 ? 5.048 -37.403 5.215 1.00 116.15 ? 120 LYS B CE 1 ATOM 1326 N NZ . LYS B 2 120 ? 5.809 -37.004 4.005 1.00 123.36 ? 120 LYS B NZ 1 ATOM 1327 N N . ILE B 2 121 ? 1.185 -35.830 7.610 1.00 76.47 ? 121 ILE B N 1 ATOM 1328 C CA . ILE B 2 121 ? -0.081 -36.307 7.020 1.00 74.55 ? 121 ILE B CA 1 ATOM 1329 C C . ILE B 2 121 ? -0.315 -35.864 5.556 1.00 74.82 ? 121 ILE B C 1 ATOM 1330 O O . ILE B 2 121 ? -0.855 -34.781 5.313 1.00 71.93 ? 121 ILE B O 1 ATOM 1331 C CB . ILE B 2 121 ? -1.316 -36.083 7.952 1.00 77.65 ? 121 ILE B CB 1 ATOM 1332 C CG1 . ILE B 2 121 ? -1.008 -36.460 9.424 1.00 81.50 ? 121 ILE B CG1 1 ATOM 1333 C CG2 . ILE B 2 121 ? -2.554 -36.837 7.429 1.00 77.74 ? 121 ILE B CG2 1 ATOM 1334 C CD1 . ILE B 2 121 ? -1.881 -35.755 10.485 1.00 89.15 ? 121 ILE B CD1 1 ATOM 1335 N N . SER B 2 122 ? 0.100 -36.703 4.591 1.00 71.42 ? 122 SER B N 1 ATOM 1336 C CA . SER B 2 122 ? -0.055 -36.413 3.166 1.00 68.57 ? 122 SER B CA 1 ATOM 1337 C C . SER B 2 122 ? -1.510 -36.546 2.721 1.00 70.49 ? 122 SER B C 1 ATOM 1338 O O . SER B 2 122 ? -2.127 -37.595 2.922 1.00 71.58 ? 122 SER B O 1 ATOM 1339 C CB . SER B 2 122 ? 0.852 -37.307 2.326 1.00 73.38 ? 122 SER B CB 1 ATOM 1340 O OG . SER B 2 122 ? 2.219 -37.006 2.549 1.00 83.59 ? 122 SER B OG 1 ATOM 1341 N N . HIS B 2 123 ? -2.060 -35.463 2.146 1.00 64.00 ? 123 HIS B N 1 ATOM 1342 C CA . HIS B 2 123 ? -3.430 -35.412 1.635 1.00 62.04 ? 123 HIS B CA 1 ATOM 1343 C C . HIS B 2 123 ? -3.377 -35.328 0.116 1.00 63.64 ? 123 HIS B C 1 ATOM 1344 O O . HIS B 2 123 ? -2.722 -34.434 -0.417 1.00 61.86 ? 123 HIS B O 1 ATOM 1345 C CB . HIS B 2 123 ? -4.191 -34.199 2.201 1.00 61.32 ? 123 HIS B CB 1 ATOM 1346 C CG . HIS B 2 123 ? -4.323 -34.193 3.690 1.00 66.35 ? 123 HIS B CG 1 ATOM 1347 N ND1 . HIS B 2 123 ? -5.230 -35.011 4.337 1.00 69.57 ? 123 HIS B ND1 1 ATOM 1348 C CD2 . HIS B 2 123 ? -3.679 -33.439 4.610 1.00 68.66 ? 123 HIS B CD2 1 ATOM 1349 C CE1 . HIS B 2 123 ? -5.095 -34.746 5.626 1.00 70.35 ? 123 HIS B CE1 1 ATOM 1350 N NE2 . HIS B 2 123 ? -4.174 -33.806 5.838 1.00 70.23 ? 123 HIS B NE2 1 ATOM 1351 N N . SER B 2 124 ? -4.048 -36.263 -0.576 1.00 60.13 ? 124 SER B N 1 ATOM 1352 C CA . SER B 2 124 ? -4.091 -36.309 -2.039 1.00 58.49 ? 124 SER B CA 1 ATOM 1353 C C . SER B 2 124 ? -5.510 -36.556 -2.555 1.00 61.24 ? 124 SER B C 1 ATOM 1354 O O . SER B 2 124 ? -6.337 -37.115 -1.833 1.00 61.96 ? 124 SER B O 1 ATOM 1355 C CB . SER B 2 124 ? -3.139 -37.377 -2.570 1.00 63.75 ? 124 SER B CB 1 ATOM 1356 O OG . SER B 2 124 ? -3.522 -38.676 -2.149 1.00 74.97 ? 124 SER B OG 1 ATOM 1357 N N . CYS B 2 125 ? -5.786 -36.135 -3.801 1.00 55.83 ? 125 CYS B N 1 ATOM 1358 C CA . CYS B 2 125 ? -7.085 -36.319 -4.446 1.00 55.12 ? 125 CYS B CA 1 ATOM 1359 C C . CYS B 2 125 ? -6.910 -36.831 -5.873 1.00 59.24 ? 125 CYS B C 1 ATOM 1360 O O . CYS B 2 125 ? -6.312 -36.145 -6.704 1.00 57.48 ? 125 CYS B O 1 ATOM 1361 C CB . CYS B 2 125 ? -7.911 -35.035 -4.400 1.00 53.32 ? 125 CYS B CB 1 ATOM 1362 S SG . CYS B 2 125 ? -9.601 -35.211 -5.032 1.00 57.09 ? 125 CYS B SG 1 ATOM 1363 N N . THR B 2 126 ? -7.418 -38.046 -6.145 1.00 57.79 ? 126 THR B N 1 ATOM 1364 C CA . THR B 2 126 ? -7.326 -38.699 -7.452 1.00 58.32 ? 126 THR B CA 1 ATOM 1365 C C . THR B 2 126 ? -8.675 -38.689 -8.175 1.00 62.27 ? 126 THR B C 1 ATOM 1366 O O . THR B 2 126 ? -9.685 -39.122 -7.618 1.00 62.97 ? 126 THR B O 1 ATOM 1367 C CB . THR B 2 126 ? -6.708 -40.107 -7.313 1.00 68.49 ? 126 THR B CB 1 ATOM 1368 O OG1 . THR B 2 126 ? -5.462 -40.004 -6.621 1.00 67.96 ? 126 THR B OG1 1 ATOM 1369 C CG2 . THR B 2 126 ? -6.490 -40.800 -8.660 1.00 67.73 ? 126 THR B CG2 1 ATOM 1370 N N . HIS B 2 127 ? -8.671 -38.191 -9.421 1.00 57.89 ? 127 HIS B N 1 ATOM 1371 C CA . HIS B 2 127 ? -9.837 -38.108 -10.301 1.00 57.83 ? 127 HIS B CA 1 ATOM 1372 C C . HIS B 2 127 ? -9.537 -38.825 -11.622 1.00 62.99 ? 127 HIS B C 1 ATOM 1373 O O . HIS B 2 127 ? -8.415 -38.701 -12.122 1.00 61.97 ? 127 HIS B O 1 ATOM 1374 C CB . HIS B 2 127 ? -10.184 -36.640 -10.592 1.00 56.24 ? 127 HIS B CB 1 ATOM 1375 C CG . HIS B 2 127 ? -11.145 -36.027 -9.623 1.00 59.10 ? 127 HIS B CG 1 ATOM 1376 N ND1 . HIS B 2 127 ? -12.376 -35.554 -10.036 1.00 60.67 ? 127 HIS B ND1 1 ATOM 1377 C CD2 . HIS B 2 127 ? -11.020 -35.815 -8.293 1.00 60.70 ? 127 HIS B CD2 1 ATOM 1378 C CE1 . HIS B 2 127 ? -12.959 -35.073 -8.951 1.00 59.78 ? 127 HIS B CE1 1 ATOM 1379 N NE2 . HIS B 2 127 ? -12.179 -35.205 -7.878 1.00 60.09 ? 127 HIS B NE2 1 ATOM 1380 N N . PRO B 2 128 ? -10.507 -39.560 -12.224 1.00 61.53 ? 128 PRO B N 1 ATOM 1381 C CA . PRO B 2 128 ? -10.228 -40.206 -13.517 1.00 62.76 ? 128 PRO B CA 1 ATOM 1382 C C . PRO B 2 128 ? -10.182 -39.157 -14.625 1.00 65.12 ? 128 PRO B C 1 ATOM 1383 O O . PRO B 2 128 ? -11.169 -38.453 -14.855 1.00 63.92 ? 128 PRO B O 1 ATOM 1384 C CB . PRO B 2 128 ? -11.387 -41.201 -13.695 1.00 67.16 ? 128 PRO B CB 1 ATOM 1385 C CG . PRO B 2 128 ? -12.220 -41.103 -12.453 1.00 71.61 ? 128 PRO B CG 1 ATOM 1386 C CD . PRO B 2 128 ? -11.898 -39.805 -11.797 1.00 64.18 ? 128 PRO B CD 1 ATOM 1387 N N . PHE B 2 129 ? -9.008 -39.005 -15.258 1.00 61.39 ? 129 PHE B N 1 ATOM 1388 C CA . PHE B 2 129 ? -8.786 -38.022 -16.316 1.00 59.86 ? 129 PHE B CA 1 ATOM 1389 C C . PHE B 2 129 ? -7.863 -38.570 -17.402 1.00 65.14 ? 129 PHE B C 1 ATOM 1390 O O . PHE B 2 129 ? -6.688 -38.836 -17.139 1.00 64.83 ? 129 PHE B O 1 ATOM 1391 C CB . PHE B 2 129 ? -8.245 -36.701 -15.725 1.00 59.20 ? 129 PHE B CB 1 ATOM 1392 C CG . PHE B 2 129 ? -7.933 -35.622 -16.735 1.00 59.47 ? 129 PHE B CG 1 ATOM 1393 C CD1 . PHE B 2 129 ? -8.946 -34.841 -17.279 1.00 62.10 ? 129 PHE B CD1 1 ATOM 1394 C CD2 . PHE B 2 129 ? -6.623 -35.374 -17.129 1.00 61.18 ? 129 PHE B CD2 1 ATOM 1395 C CE1 . PHE B 2 129 ? -8.656 -33.847 -18.217 1.00 62.18 ? 129 PHE B CE1 1 ATOM 1396 C CE2 . PHE B 2 129 ? -6.334 -34.379 -18.066 1.00 63.15 ? 129 PHE B CE2 1 ATOM 1397 C CZ . PHE B 2 129 ? -7.352 -33.624 -18.604 1.00 60.85 ? 129 PHE B CZ 1 ATOM 1398 N N . HIS B 2 130 ? -8.397 -38.719 -18.626 1.00 62.97 ? 130 HIS B N 1 ATOM 1399 C CA . HIS B 2 130 ? -7.633 -39.211 -19.768 1.00 64.20 ? 130 HIS B CA 1 ATOM 1400 C C . HIS B 2 130 ? -6.728 -38.100 -20.306 1.00 66.04 ? 130 HIS B C 1 ATOM 1401 O O . HIS B 2 130 ? -7.215 -37.125 -20.887 1.00 64.53 ? 130 HIS B O 1 ATOM 1402 C CB . HIS B 2 130 ? -8.563 -39.776 -20.859 1.00 67.14 ? 130 HIS B CB 1 ATOM 1403 C CG . HIS B 2 130 ? -7.843 -40.239 -22.088 1.00 72.08 ? 130 HIS B CG 1 ATOM 1404 N ND1 . HIS B 2 130 ? -7.199 -41.462 -22.130 1.00 76.16 ? 130 HIS B ND1 1 ATOM 1405 C CD2 . HIS B 2 130 ? -7.684 -39.620 -23.281 1.00 73.56 ? 130 HIS B CD2 1 ATOM 1406 C CE1 . HIS B 2 130 ? -6.673 -41.549 -23.341 1.00 76.52 ? 130 HIS B CE1 1 ATOM 1407 N NE2 . HIS B 2 130 ? -6.939 -40.464 -24.069 1.00 75.34 ? 130 HIS B NE2 1 ATOM 1408 N N . HIS B 2 131 ? -5.413 -38.236 -20.073 1.00 62.32 ? 131 HIS B N 1 ATOM 1409 C CA . HIS B 2 131 ? -4.420 -37.270 -20.527 1.00 60.73 ? 131 HIS B CA 1 ATOM 1410 C C . HIS B 2 131 ? -3.467 -37.898 -21.532 1.00 66.25 ? 131 HIS B C 1 ATOM 1411 O O . HIS B 2 131 ? -2.731 -38.831 -21.205 1.00 67.28 ? 131 HIS B O 1 ATOM 1412 C CB . HIS B 2 131 ? -3.667 -36.627 -19.346 1.00 59.90 ? 131 HIS B CB 1 ATOM 1413 C CG . HIS B 2 131 ? -2.683 -35.573 -19.756 1.00 62.10 ? 131 HIS B CG 1 ATOM 1414 N ND1 . HIS B 2 131 ? -3.097 -34.339 -20.228 1.00 62.47 ? 131 HIS B ND1 1 ATOM 1415 C CD2 . HIS B 2 131 ? -1.331 -35.603 -19.743 1.00 64.13 ? 131 HIS B CD2 1 ATOM 1416 C CE1 . HIS B 2 131 ? -1.990 -33.665 -20.492 1.00 61.47 ? 131 HIS B CE1 1 ATOM 1417 N NE2 . HIS B 2 131 ? -0.902 -34.382 -20.210 1.00 62.76 ? 131 HIS B NE2 1 ATOM 1418 N N . ASP B 2 132 ? -3.527 -37.398 -22.771 1.00 62.80 ? 132 ASP B N 1 ATOM 1419 C CA . ASP B 2 132 ? -2.697 -37.800 -23.902 1.00 64.08 ? 132 ASP B CA 1 ATOM 1420 C C . ASP B 2 132 ? -2.680 -36.591 -24.854 1.00 66.64 ? 132 ASP B C 1 ATOM 1421 O O . ASP B 2 132 ? -3.504 -36.519 -25.772 1.00 66.97 ? 132 ASP B O 1 ATOM 1422 C CB . ASP B 2 132 ? -3.254 -39.075 -24.576 1.00 68.60 ? 132 ASP B CB 1 ATOM 1423 C CG . ASP B 2 132 ? -2.268 -39.855 -25.435 1.00 81.11 ? 132 ASP B CG 1 ATOM 1424 O OD1 . ASP B 2 132 ? -1.080 -39.459 -25.495 1.00 81.14 ? 132 ASP B OD1 1 ATOM 1425 O OD2 . ASP B 2 132 ? -2.680 -40.870 -26.035 1.00 89.40 ? 132 ASP B OD2 1 ATOM 1426 N N . PRO B 2 133 ? -1.812 -35.581 -24.589 1.00 61.48 ? 133 PRO B N 1 ATOM 1427 C CA . PRO B 2 133 ? -1.810 -34.377 -25.438 1.00 60.58 ? 133 PRO B CA 1 ATOM 1428 C C . PRO B 2 133 ? -1.346 -34.614 -26.878 1.00 66.16 ? 133 PRO B C 1 ATOM 1429 O O . PRO B 2 133 ? -0.395 -35.372 -27.088 1.00 66.92 ? 133 PRO B O 1 ATOM 1430 C CB . PRO B 2 133 ? -0.894 -33.410 -24.684 1.00 60.87 ? 133 PRO B CB 1 ATOM 1431 C CG . PRO B 2 133 ? 0.006 -34.282 -23.891 1.00 65.83 ? 133 PRO B CG 1 ATOM 1432 C CD . PRO B 2 133 ? -0.804 -35.482 -23.511 1.00 62.21 ? 133 PRO B CD 1 ATOM 1433 N N . PRO B 2 134 ? -2.007 -33.990 -27.886 1.00 63.11 ? 134 PRO B N 1 ATOM 1434 C CA . PRO B 2 134 ? -1.580 -34.199 -29.282 1.00 64.79 ? 134 PRO B CA 1 ATOM 1435 C C . PRO B 2 134 ? -0.223 -33.572 -29.598 1.00 68.36 ? 134 PRO B C 1 ATOM 1436 O O . PRO B 2 134 ? 0.184 -32.608 -28.946 1.00 66.42 ? 134 PRO B O 1 ATOM 1437 C CB . PRO B 2 134 ? -2.708 -33.567 -30.100 1.00 66.88 ? 134 PRO B CB 1 ATOM 1438 C CG . PRO B 2 134 ? -3.292 -32.540 -29.206 1.00 69.30 ? 134 PRO B CG 1 ATOM 1439 C CD . PRO B 2 134 ? -3.161 -33.069 -27.807 1.00 63.65 ? 134 PRO B CD 1 ATOM 1440 N N . VAL B 2 135 ? 0.475 -34.135 -30.594 1.00 66.64 ? 135 VAL B N 1 ATOM 1441 C CA . VAL B 2 135 ? 1.799 -33.686 -31.026 1.00 66.96 ? 135 VAL B CA 1 ATOM 1442 C C . VAL B 2 135 ? 1.764 -32.320 -31.739 1.00 70.45 ? 135 VAL B C 1 ATOM 1443 O O . VAL B 2 135 ? 0.902 -32.089 -32.590 1.00 70.65 ? 135 VAL B O 1 ATOM 1444 C CB . VAL B 2 135 ? 2.568 -34.795 -31.812 1.00 73.30 ? 135 VAL B CB 1 ATOM 1445 C CG1 . VAL B 2 135 ? 1.864 -35.182 -33.114 1.00 75.00 ? 135 VAL B CG1 1 ATOM 1446 C CG2 . VAL B 2 135 ? 4.024 -34.411 -32.065 1.00 73.79 ? 135 VAL B CG2 1 ATOM 1447 N N . ILE B 2 136 ? 2.687 -31.414 -31.357 1.00 66.31 ? 136 ILE B N 1 ATOM 1448 C CA . ILE B 2 136 ? 2.832 -30.092 -31.965 1.00 66.31 ? 136 ILE B CA 1 ATOM 1449 C C . ILE B 2 136 ? 3.826 -30.236 -33.117 1.00 72.32 ? 136 ILE B C 1 ATOM 1450 O O . ILE B 2 136 ? 5.002 -30.544 -32.898 1.00 72.52 ? 136 ILE B O 1 ATOM 1451 C CB . ILE B 2 136 ? 3.201 -28.989 -30.918 1.00 67.88 ? 136 ILE B CB 1 ATOM 1452 C CG1 . ILE B 2 136 ? 1.985 -28.614 -30.024 1.00 66.52 ? 136 ILE B CG1 1 ATOM 1453 C CG2 . ILE B 2 136 ? 3.842 -27.738 -31.557 1.00 69.50 ? 136 ILE B CG2 1 ATOM 1454 C CD1 . ILE B 2 136 ? 0.739 -27.915 -30.735 1.00 74.49 ? 136 ILE B CD1 1 ATOM 1455 N N . GLY B 2 137 ? 3.314 -30.075 -34.332 1.00 70.21 ? 137 GLY B N 1 ATOM 1456 C CA . GLY B 2 137 ? 4.087 -30.219 -35.557 1.00 72.32 ? 137 GLY B CA 1 ATOM 1457 C C . GLY B 2 137 ? 3.961 -31.606 -36.150 1.00 77.75 ? 137 GLY B C 1 ATOM 1458 O O . GLY B 2 137 ? 2.874 -32.192 -36.136 1.00 77.13 ? 137 GLY B O 1 ATOM 1459 N N . ARG B 2 138 ? 5.078 -32.143 -36.665 1.00 76.22 ? 138 ARG B N 1 ATOM 1460 C CA . ARG B 2 138 ? 5.131 -33.466 -37.293 1.00 78.15 ? 138 ARG B CA 1 ATOM 1461 C C . ARG B 2 138 ? 6.244 -34.366 -36.719 1.00 83.06 ? 138 ARG B C 1 ATOM 1462 O O . ARG B 2 138 ? 6.588 -35.383 -37.327 1.00 84.81 ? 138 ARG B O 1 ATOM 1463 C CB . ARG B 2 138 ? 5.261 -33.319 -38.818 1.00 80.59 ? 138 ARG B CB 1 ATOM 1464 C CG . ARG B 2 138 ? 3.954 -32.952 -39.518 1.00 90.06 ? 138 ARG B CG 1 ATOM 1465 C CD . ARG B 2 138 ? 4.167 -32.466 -40.944 1.00 100.86 ? 138 ARG B CD 1 ATOM 1466 N NE . ARG B 2 138 ? 4.897 -33.437 -41.762 1.00 110.77 ? 138 ARG B NE 1 ATOM 1467 C CZ . ARG B 2 138 ? 4.329 -34.404 -42.475 1.00 126.12 ? 138 ARG B CZ 1 ATOM 1468 N NH1 . ARG B 2 138 ? 3.008 -34.539 -42.492 1.00 112.60 ? 138 ARG B NH1 1 ATOM 1469 N NH2 . ARG B 2 138 ? 5.077 -35.242 -43.179 1.00 115.20 ? 138 ARG B NH2 1 ATOM 1470 N N . GLU B 2 139 ? 6.790 -34.003 -35.543 1.00 78.36 ? 139 GLU B N 1 ATOM 1471 C CA . GLU B 2 139 ? 7.857 -34.758 -34.881 1.00 79.02 ? 139 GLU B CA 1 ATOM 1472 C C . GLU B 2 139 ? 7.573 -34.942 -33.388 1.00 81.49 ? 139 GLU B C 1 ATOM 1473 O O . GLU B 2 139 ? 7.331 -33.959 -32.684 1.00 78.91 ? 139 GLU B O 1 ATOM 1474 C CB . GLU B 2 139 ? 9.219 -34.075 -35.095 1.00 81.28 ? 139 GLU B CB 1 ATOM 1475 C CG . GLU B 2 139 ? 9.811 -34.290 -36.478 1.00 93.91 ? 139 GLU B CG 1 ATOM 1476 C CD . GLU B 2 139 ? 11.024 -33.443 -36.808 1.00 112.75 ? 139 GLU B CD 1 ATOM 1477 O OE1 . GLU B 2 139 ? 12.041 -33.545 -36.085 1.00 106.23 ? 139 GLU B OE1 1 ATOM 1478 O OE2 . GLU B 2 139 ? 10.969 -32.699 -37.813 1.00 106.23 ? 139 GLU B OE2 1 ATOM 1479 N N . LYS B 2 140 ? 7.595 -36.203 -32.913 1.00 79.53 ? 140 LYS B N 1 ATOM 1480 C CA . LYS B 2 140 ? 7.358 -36.547 -31.508 1.00 78.19 ? 140 LYS B CA 1 ATOM 1481 C C . LYS B 2 140 ? 8.684 -36.502 -30.734 1.00 83.20 ? 140 LYS B C 1 ATOM 1482 O O . LYS B 2 140 ? 9.344 -37.528 -30.564 1.00 84.64 ? 140 LYS B O 1 ATOM 1483 C CB . LYS B 2 140 ? 6.673 -37.924 -31.375 1.00 81.88 ? 140 LYS B CB 1 ATOM 1484 C CG . LYS B 2 140 ? 5.240 -37.975 -31.890 1.00 96.13 ? 140 LYS B CG 1 ATOM 1485 C CD . LYS B 2 140 ? 4.649 -39.370 -31.757 1.00 107.74 ? 140 LYS B CD 1 ATOM 1486 C CE . LYS B 2 140 ? 3.245 -39.443 -32.302 1.00 118.63 ? 140 LYS B CE 1 ATOM 1487 N NZ . LYS B 2 140 ? 2.678 -40.811 -32.177 1.00 129.76 ? 140 LYS B NZ 1 ATOM 1488 N N . PHE B 2 141 ? 9.079 -35.298 -30.292 1.00 78.95 ? 141 PHE B N 1 ATOM 1489 C CA . PHE B 2 141 ? 10.324 -35.055 -29.557 1.00 79.53 ? 141 PHE B CA 1 ATOM 1490 C C . PHE B 2 141 ? 10.136 -35.064 -28.034 1.00 82.70 ? 141 PHE B C 1 ATOM 1491 O O . PHE B 2 141 ? 9.006 -34.950 -27.553 1.00 80.31 ? 141 PHE B O 1 ATOM 1492 C CB . PHE B 2 141 ? 11.007 -33.762 -30.045 1.00 81.43 ? 141 PHE B CB 1 ATOM 1493 C CG . PHE B 2 141 ? 10.204 -32.493 -29.873 1.00 80.86 ? 141 PHE B CG 1 ATOM 1494 C CD1 . PHE B 2 141 ? 9.275 -32.102 -30.830 1.00 83.63 ? 141 PHE B CD1 1 ATOM 1495 C CD2 . PHE B 2 141 ? 10.408 -31.666 -28.775 1.00 81.72 ? 141 PHE B CD2 1 ATOM 1496 C CE1 . PHE B 2 141 ? 8.539 -30.924 -30.674 1.00 82.87 ? 141 PHE B CE1 1 ATOM 1497 C CE2 . PHE B 2 141 ? 9.675 -30.485 -28.623 1.00 82.86 ? 141 PHE B CE2 1 ATOM 1498 C CZ . PHE B 2 141 ? 8.748 -30.121 -29.575 1.00 80.63 ? 141 PHE B CZ 1 ATOM 1499 N N . HIS B 2 142 ? 11.248 -35.203 -27.282 1.00 81.08 ? 142 HIS B N 1 ATOM 1500 C CA . HIS B 2 142 ? 11.249 -35.260 -25.817 1.00 80.30 ? 142 HIS B CA 1 ATOM 1501 C C . HIS B 2 142 ? 11.520 -33.905 -25.154 1.00 83.26 ? 142 HIS B C 1 ATOM 1502 O O . HIS B 2 142 ? 10.703 -33.454 -24.349 1.00 80.80 ? 142 HIS B O 1 ATOM 1503 C CB . HIS B 2 142 ? 12.232 -36.331 -25.310 1.00 83.49 ? 142 HIS B CB 1 ATOM 1504 C CG . HIS B 2 142 ? 11.914 -37.715 -25.782 1.00 88.61 ? 142 HIS B CG 1 ATOM 1505 N ND1 . HIS B 2 142 ? 12.317 -38.162 -27.028 1.00 92.44 ? 142 HIS B ND1 1 ATOM 1506 C CD2 . HIS B 2 142 ? 11.244 -38.711 -25.156 1.00 90.57 ? 142 HIS B CD2 1 ATOM 1507 C CE1 . HIS B 2 142 ? 11.880 -39.407 -27.121 1.00 93.25 ? 142 HIS B CE1 1 ATOM 1508 N NE2 . HIS B 2 142 ? 11.229 -39.782 -26.019 1.00 92.58 ? 142 HIS B NE2 1 ATOM 1509 N N . SER B 2 143 ? 12.662 -33.266 -25.480 1.00 81.55 ? 143 SER B N 1 ATOM 1510 C CA . SER B 2 143 ? 13.057 -31.972 -24.915 1.00 80.89 ? 143 SER B CA 1 ATOM 1511 C C . SER B 2 143 ? 12.859 -30.827 -25.906 1.00 84.69 ? 143 SER B C 1 ATOM 1512 O O . SER B 2 143 ? 13.142 -30.989 -27.097 1.00 85.63 ? 143 SER B O 1 ATOM 1513 C CB . SER B 2 143 ? 14.506 -32.014 -24.438 1.00 86.79 ? 143 SER B CB 1 ATOM 1514 O OG . SER B 2 143 ? 15.402 -32.264 -25.509 1.00 98.09 ? 143 SER B OG 1 ATOM 1515 N N . ARG B 2 144 ? 12.381 -29.668 -25.413 1.00 79.88 ? 144 ARG B N 1 ATOM 1516 C CA . ARG B 2 144 ? 12.144 -28.494 -26.254 1.00 79.65 ? 144 ARG B CA 1 ATOM 1517 C C . ARG B 2 144 ? 13.431 -27.766 -26.667 1.00 85.40 ? 144 ARG B C 1 ATOM 1518 O O . ARG B 2 144 ? 14.264 -27.468 -25.809 1.00 85.74 ? 144 ARG B O 1 ATOM 1519 C CB . ARG B 2 144 ? 11.066 -27.553 -25.683 1.00 78.41 ? 144 ARG B CB 1 ATOM 1520 C CG . ARG B 2 144 ? 11.286 -27.064 -24.256 1.00 90.27 ? 144 ARG B CG 1 ATOM 1521 C CD . ARG B 2 144 ? 9.981 -26.561 -23.676 1.00 100.82 ? 144 ARG B CD 1 ATOM 1522 N NE . ARG B 2 144 ? 10.187 -25.616 -22.579 1.00 111.57 ? 144 ARG B NE 1 ATOM 1523 C CZ . ARG B 2 144 ? 10.206 -24.294 -22.721 1.00 127.94 ? 144 ARG B CZ 1 ATOM 1524 N NH1 . ARG B 2 144 ? 10.039 -23.744 -23.918 1.00 117.04 ? 144 ARG B NH1 1 ATOM 1525 N NH2 . ARG B 2 144 ? 10.394 -23.511 -21.668 1.00 115.27 ? 144 ARG B NH2 1 ATOM 1526 N N . PRO B 2 145 ? 13.627 -27.509 -27.984 1.00 83.06 ? 145 PRO B N 1 ATOM 1527 C CA . PRO B 2 145 ? 14.869 -26.856 -28.429 1.00 85.28 ? 145 PRO B CA 1 ATOM 1528 C C . PRO B 2 145 ? 14.854 -25.328 -28.380 1.00 89.11 ? 145 PRO B C 1 ATOM 1529 O O . PRO B 2 145 ? 13.785 -24.716 -28.335 1.00 87.06 ? 145 PRO B O 1 ATOM 1530 C CB . PRO B 2 145 ? 15.038 -27.372 -29.859 1.00 88.58 ? 145 PRO B CB 1 ATOM 1531 C CG . PRO B 2 145 ? 13.646 -27.692 -30.322 1.00 91.18 ? 145 PRO B CG 1 ATOM 1532 C CD . PRO B 2 145 ? 12.745 -27.822 -29.128 1.00 84.19 ? 145 PRO B CD 1 ATOM 1533 N N . GLN B 2 146 ? 16.057 -24.715 -28.405 1.00 87.80 ? 146 GLN B N 1 ATOM 1534 C CA . GLN B 2 146 ? 16.246 -23.260 -28.409 1.00 88.54 ? 146 GLN B CA 1 ATOM 1535 C C . GLN B 2 146 ? 15.871 -22.704 -29.785 1.00 92.87 ? 146 GLN B C 1 ATOM 1536 O O . GLN B 2 146 ? 15.091 -21.754 -29.875 1.00 91.84 ? 146 GLN B O 1 ATOM 1537 C CB . GLN B 2 146 ? 17.705 -22.889 -28.080 1.00 92.76 ? 146 GLN B CB 1 ATOM 1538 C CG . GLN B 2 146 ? 18.096 -23.054 -26.618 1.00 107.94 ? 146 GLN B CG 1 ATOM 1539 C CD . GLN B 2 146 ? 19.454 -22.453 -26.358 1.00 129.89 ? 146 GLN B CD 1 ATOM 1540 O OE1 . GLN B 2 146 ? 19.577 -21.277 -26.006 1.00 126.27 ? 146 GLN B OE1 1 ATOM 1541 N NE2 . GLN B 2 146 ? 20.505 -23.237 -26.556 1.00 123.64 ? 146 GLN B NE2 1 ATOM 1542 N N . HIS B 2 147 ? 16.429 -23.314 -30.852 1.00 90.70 ? 147 HIS B N 1 ATOM 1543 C CA . HIS B 2 147 ? 16.194 -22.957 -32.249 1.00 91.58 ? 147 HIS B CA 1 ATOM 1544 C C . HIS B 2 147 ? 15.326 -24.016 -32.928 1.00 93.30 ? 147 HIS B C 1 ATOM 1545 O O . HIS B 2 147 ? 15.496 -25.212 -32.682 1.00 92.32 ? 147 HIS B O 1 ATOM 1546 C CB . HIS B 2 147 ? 17.534 -22.779 -32.994 1.00 95.86 ? 147 HIS B CB 1 ATOM 1547 C CG . HIS B 2 147 ? 17.421 -22.818 -34.489 1.00 100.86 ? 147 HIS B CG 1 ATOM 1548 N ND1 . HIS B 2 147 ? 17.869 -23.906 -35.217 1.00 103.74 ? 147 HIS B ND1 1 ATOM 1549 C CD2 . HIS B 2 147 ? 16.871 -21.920 -35.340 1.00 103.37 ? 147 HIS B CD2 1 ATOM 1550 C CE1 . HIS B 2 147 ? 17.601 -23.627 -36.482 1.00 104.50 ? 147 HIS B CE1 1 ATOM 1551 N NE2 . HIS B 2 147 ? 16.999 -22.444 -36.605 1.00 104.69 ? 147 HIS B NE2 1 ATOM 1552 N N . GLY B 2 148 ? 14.419 -23.555 -33.782 1.00 89.06 ? 148 GLY B N 1 ATOM 1553 C CA . GLY B 2 148 ? 13.515 -24.410 -34.538 1.00 87.73 ? 148 GLY B CA 1 ATOM 1554 C C . GLY B 2 148 ? 12.438 -23.647 -35.277 1.00 90.63 ? 148 GLY B C 1 ATOM 1555 O O . GLY B 2 148 ? 12.432 -22.412 -35.274 1.00 90.97 ? 148 GLY B O 1 ATOM 1556 N N . LYS B 2 149 ? 11.519 -24.390 -35.919 1.00 85.86 ? 149 LYS B N 1 ATOM 1557 C CA . LYS B 2 149 ? 10.402 -23.829 -36.678 1.00 85.39 ? 149 LYS B CA 1 ATOM 1558 C C . LYS B 2 149 ? 9.357 -23.254 -35.719 1.00 86.40 ? 149 LYS B C 1 ATOM 1559 O O . LYS B 2 149 ? 8.966 -23.923 -34.760 1.00 83.73 ? 149 LYS B O 1 ATOM 1560 C CB . LYS B 2 149 ? 9.780 -24.901 -37.591 1.00 88.11 ? 149 LYS B CB 1 ATOM 1561 C CG . LYS B 2 149 ? 8.872 -24.345 -38.682 1.00 102.56 ? 149 LYS B CG 1 ATOM 1562 C CD . LYS B 2 149 ? 8.073 -25.450 -39.352 1.00 111.79 ? 149 LYS B CD 1 ATOM 1563 C CE . LYS B 2 149 ? 7.185 -24.923 -40.450 1.00 122.95 ? 149 LYS B CE 1 ATOM 1564 N NZ . LYS B 2 149 ? 6.406 -26.012 -41.095 1.00 131.64 ? 149 LYS B NZ 1 ATOM 1565 N N . GLU B 2 150 ? 8.931 -22.005 -35.966 1.00 83.34 ? 150 GLU B N 1 ATOM 1566 C CA . GLU B 2 150 ? 7.928 -21.334 -35.143 1.00 81.16 ? 150 GLU B CA 1 ATOM 1567 C C . GLU B 2 150 ? 6.527 -21.727 -35.603 1.00 83.68 ? 150 GLU B C 1 ATOM 1568 O O . GLU B 2 150 ? 6.100 -21.341 -36.695 1.00 84.99 ? 150 GLU B O 1 ATOM 1569 C CB . GLU B 2 150 ? 8.117 -19.806 -35.157 1.00 84.14 ? 150 GLU B CB 1 ATOM 1570 C CG . GLU B 2 150 ? 9.258 -19.322 -34.281 1.00 95.13 ? 150 GLU B CG 1 ATOM 1571 C CD . GLU B 2 150 ? 9.286 -17.824 -34.054 1.00 117.22 ? 150 GLU B CD 1 ATOM 1572 O OE1 . GLU B 2 150 ? 9.635 -17.082 -35.001 1.00 113.56 ? 150 GLU B OE1 1 ATOM 1573 O OE2 . GLU B 2 150 ? 8.975 -17.391 -32.921 1.00 110.64 ? 150 GLU B OE2 1 ATOM 1574 N N . LEU B 2 151 ? 5.832 -22.533 -34.784 1.00 77.52 ? 151 LEU B N 1 ATOM 1575 C CA . LEU B 2 151 ? 4.477 -22.998 -35.074 1.00 76.39 ? 151 LEU B CA 1 ATOM 1576 C C . LEU B 2 151 ? 3.460 -22.475 -34.056 1.00 78.07 ? 151 LEU B C 1 ATOM 1577 O O . LEU B 2 151 ? 3.790 -22.394 -32.869 1.00 76.00 ? 151 LEU B O 1 ATOM 1578 C CB . LEU B 2 151 ? 4.415 -24.534 -35.169 1.00 75.85 ? 151 LEU B CB 1 ATOM 1579 C CG . LEU B 2 151 ? 4.867 -25.162 -36.496 1.00 82.79 ? 151 LEU B CG 1 ATOM 1580 C CD1 . LEU B 2 151 ? 4.955 -26.662 -36.374 1.00 82.51 ? 151 LEU B CD1 1 ATOM 1581 C CD2 . LEU B 2 151 ? 3.914 -24.817 -37.643 1.00 86.73 ? 151 LEU B CD2 1 ATOM 1582 N N . PRO B 2 152 ? 2.225 -22.111 -34.489 1.00 74.85 ? 152 PRO B N 1 ATOM 1583 C CA . PRO B 2 152 ? 1.240 -21.593 -33.525 1.00 73.06 ? 152 PRO B CA 1 ATOM 1584 C C . PRO B 2 152 ? 0.730 -22.646 -32.542 1.00 74.62 ? 152 PRO B C 1 ATOM 1585 O O . PRO B 2 152 ? 0.364 -23.753 -32.942 1.00 74.03 ? 152 PRO B O 1 ATOM 1586 C CB . PRO B 2 152 ? 0.128 -21.028 -34.413 1.00 76.25 ? 152 PRO B CB 1 ATOM 1587 C CG . PRO B 2 152 ? 0.230 -21.788 -35.679 1.00 82.28 ? 152 PRO B CG 1 ATOM 1588 C CD . PRO B 2 152 ? 1.679 -22.125 -35.864 1.00 78.39 ? 152 PRO B CD 1 ATOM 1589 N N . CYS B 2 153 ? 0.745 -22.295 -31.247 1.00 69.69 ? 153 CYS B N 1 ATOM 1590 C CA . CYS B 2 153 ? 0.286 -23.141 -30.144 1.00 67.46 ? 153 CYS B CA 1 ATOM 1591 C C . CYS B 2 153 ? -0.323 -22.276 -29.032 1.00 69.54 ? 153 CYS B C 1 ATOM 1592 O O . CYS B 2 153 ? 0.003 -21.093 -28.929 1.00 69.77 ? 153 CYS B O 1 ATOM 1593 C CB . CYS B 2 153 ? 1.418 -24.025 -29.619 1.00 67.43 ? 153 CYS B CB 1 ATOM 1594 S SG . CYS B 2 153 ? 2.717 -23.128 -28.726 1.00 71.50 ? 153 CYS B SG 1 ATOM 1595 N N . SER B 2 154 ? -1.209 -22.860 -28.212 1.00 64.17 ? 154 SER B N 1 ATOM 1596 C CA . SER B 2 154 ? -1.839 -22.148 -27.099 1.00 62.66 ? 154 SER B CA 1 ATOM 1597 C C . SER B 2 154 ? -1.343 -22.680 -25.762 1.00 64.81 ? 154 SER B C 1 ATOM 1598 O O . SER B 2 154 ? -1.011 -23.862 -25.654 1.00 63.86 ? 154 SER B O 1 ATOM 1599 C CB . SER B 2 154 ? -3.359 -22.242 -27.179 1.00 65.69 ? 154 SER B CB 1 ATOM 1600 O OG . SER B 2 154 ? -3.803 -23.588 -27.148 1.00 73.27 ? 154 SER B OG 1 ATOM 1601 N N . THR B 2 155 ? -1.282 -21.797 -24.749 1.00 60.83 ? 155 THR B N 1 ATOM 1602 C CA . THR B 2 155 ? -0.846 -22.117 -23.389 1.00 59.42 ? 155 THR B CA 1 ATOM 1603 C C . THR B 2 155 ? -1.542 -21.217 -22.366 1.00 62.93 ? 155 THR B C 1 ATOM 1604 O O . THR B 2 155 ? -2.143 -20.206 -22.737 1.00 63.28 ? 155 THR B O 1 ATOM 1605 C CB . THR B 2 155 ? 0.700 -22.053 -23.277 1.00 67.55 ? 155 THR B CB 1 ATOM 1606 O OG1 . THR B 2 155 ? 1.122 -22.865 -22.182 1.00 66.42 ? 155 THR B OG1 1 ATOM 1607 C CG2 . THR B 2 155 ? 1.239 -20.627 -23.105 1.00 66.87 ? 155 THR B CG2 1 ATOM 1608 N N . TYR B 2 156 ? -1.442 -21.578 -21.082 1.00 58.65 ? 156 TYR B N 1 ATOM 1609 C CA . TYR B 2 156 ? -1.959 -20.762 -19.994 1.00 58.21 ? 156 TYR B CA 1 ATOM 1610 C C . TYR B 2 156 ? -0.749 -19.965 -19.513 1.00 63.71 ? 156 TYR B C 1 ATOM 1611 O O . TYR B 2 156 ? 0.249 -20.561 -19.095 1.00 63.12 ? 156 TYR B O 1 ATOM 1612 C CB . TYR B 2 156 ? -2.559 -21.633 -18.878 1.00 57.85 ? 156 TYR B CB 1 ATOM 1613 C CG . TYR B 2 156 ? -3.682 -22.537 -19.341 1.00 58.82 ? 156 TYR B CG 1 ATOM 1614 C CD1 . TYR B 2 156 ? -4.973 -22.046 -19.514 1.00 60.85 ? 156 TYR B CD1 1 ATOM 1615 C CD2 . TYR B 2 156 ? -3.458 -23.887 -19.592 1.00 59.19 ? 156 TYR B CD2 1 ATOM 1616 C CE1 . TYR B 2 156 ? -6.012 -22.875 -19.937 1.00 61.34 ? 156 TYR B CE1 1 ATOM 1617 C CE2 . TYR B 2 156 ? -4.488 -24.726 -20.014 1.00 59.92 ? 156 TYR B CE2 1 ATOM 1618 C CZ . TYR B 2 156 ? -5.763 -24.214 -20.190 1.00 67.16 ? 156 TYR B CZ 1 ATOM 1619 O OH . TYR B 2 156 ? -6.781 -25.035 -20.610 1.00 68.10 ? 156 TYR B OH 1 ATOM 1620 N N . VAL B 2 157 ? -0.793 -18.630 -19.683 1.00 62.22 ? 157 VAL B N 1 ATOM 1621 C CA . VAL B 2 157 ? 0.310 -17.725 -19.332 1.00 63.81 ? 157 VAL B CA 1 ATOM 1622 C C . VAL B 2 157 ? 0.728 -17.788 -17.865 1.00 68.39 ? 157 VAL B C 1 ATOM 1623 O O . VAL B 2 157 ? -0.127 -17.819 -16.983 1.00 66.97 ? 157 VAL B O 1 ATOM 1624 C CB . VAL B 2 157 ? 0.160 -16.277 -19.865 1.00 69.62 ? 157 VAL B CB 1 ATOM 1625 C CG1 . VAL B 2 157 ? 0.325 -16.230 -21.381 1.00 70.53 ? 157 VAL B CG1 1 ATOM 1626 C CG2 . VAL B 2 157 ? -1.163 -15.645 -19.436 1.00 69.26 ? 157 VAL B CG2 1 ATOM 1627 N N . GLN B 2 158 ? 2.050 -17.821 -17.617 1.00 66.77 ? 158 GLN B N 1 ATOM 1628 C CA . GLN B 2 158 ? 2.657 -17.919 -16.281 1.00 67.00 ? 158 GLN B CA 1 ATOM 1629 C C . GLN B 2 158 ? 2.448 -16.674 -15.396 1.00 72.63 ? 158 GLN B C 1 ATOM 1630 O O . GLN B 2 158 ? 2.791 -16.716 -14.211 1.00 72.36 ? 158 GLN B O 1 ATOM 1631 C CB . GLN B 2 158 ? 4.162 -18.293 -16.346 1.00 69.56 ? 158 GLN B CB 1 ATOM 1632 C CG . GLN B 2 158 ? 4.735 -18.657 -17.725 1.00 87.75 ? 158 GLN B CG 1 ATOM 1633 C CD . GLN B 2 158 ? 4.374 -20.050 -18.184 1.00 107.33 ? 158 GLN B CD 1 ATOM 1634 O OE1 . GLN B 2 158 ? 4.579 -21.045 -17.478 1.00 102.38 ? 158 GLN B OE1 1 ATOM 1635 N NE2 . GLN B 2 158 ? 3.876 -20.156 -19.407 1.00 100.03 ? 158 GLN B NE2 1 ATOM 1636 N N . SER B 2 159 ? 1.883 -15.584 -15.964 1.00 70.74 ? 159 SER B N 1 ATOM 1637 C CA . SER B 2 159 ? 1.627 -14.311 -15.283 1.00 72.32 ? 159 SER B CA 1 ATOM 1638 C C . SER B 2 159 ? 0.687 -14.422 -14.080 1.00 75.57 ? 159 SER B C 1 ATOM 1639 O O . SER B 2 159 ? -0.374 -15.048 -14.170 1.00 73.33 ? 159 SER B O 1 ATOM 1640 C CB . SER B 2 159 ? 1.114 -13.263 -16.267 1.00 77.51 ? 159 SER B CB 1 ATOM 1641 O OG . SER B 2 159 ? -0.127 -13.646 -16.836 1.00 85.08 ? 159 SER B OG 1 ATOM 1642 N N . THR B 2 160 ? 1.101 -13.804 -12.956 1.00 73.81 ? 160 THR B N 1 ATOM 1643 C CA . THR B 2 160 ? 0.390 -13.743 -11.675 1.00 73.23 ? 160 THR B CA 1 ATOM 1644 C C . THR B 2 160 ? -0.940 -12.987 -11.822 1.00 77.21 ? 160 THR B C 1 ATOM 1645 O O . THR B 2 160 ? -1.955 -13.433 -11.280 1.00 75.37 ? 160 THR B O 1 ATOM 1646 C CB . THR B 2 160 ? 1.330 -13.133 -10.604 1.00 84.40 ? 160 THR B CB 1 ATOM 1647 O OG1 . THR B 2 160 ? 2.390 -14.051 -10.335 1.00 84.25 ? 160 THR B OG1 1 ATOM 1648 C CG2 . THR B 2 160 ? 0.617 -12.775 -9.300 1.00 83.26 ? 160 THR B CG2 1 ATOM 1649 N N . ALA B 2 161 ? -0.919 -11.855 -12.566 1.00 75.73 ? 161 ALA B N 1 ATOM 1650 C CA . ALA B 2 161 ? -2.050 -10.958 -12.832 1.00 76.40 ? 161 ALA B CA 1 ATOM 1651 C C . ALA B 2 161 ? -3.342 -11.673 -13.220 1.00 77.99 ? 161 ALA B C 1 ATOM 1652 O O . ALA B 2 161 ? -3.313 -12.626 -14.006 1.00 76.12 ? 161 ALA B O 1 ATOM 1653 C CB . ALA B 2 161 ? -1.675 -9.941 -13.900 1.00 79.61 ? 161 ALA B CB 1 ATOM 1654 N N . ALA B 2 162 ? -4.469 -11.213 -12.646 1.00 74.48 ? 162 ALA B N 1 ATOM 1655 C CA . ALA B 2 162 ? -5.794 -11.774 -12.887 1.00 72.68 ? 162 ALA B CA 1 ATOM 1656 C C . ALA B 2 162 ? -6.704 -10.792 -13.627 1.00 77.65 ? 162 ALA B C 1 ATOM 1657 O O . ALA B 2 162 ? -7.166 -9.796 -13.062 1.00 78.96 ? 162 ALA B O 1 ATOM 1658 C CB . ALA B 2 162 ? -6.426 -12.235 -11.579 1.00 72.24 ? 162 ALA B CB 1 ATOM 1659 N N . THR B 2 163 ? -6.903 -11.073 -14.924 1.00 73.38 ? 163 THR B N 1 ATOM 1660 C CA . THR B 2 163 ? -7.737 -10.331 -15.872 1.00 74.55 ? 163 THR B CA 1 ATOM 1661 C C . THR B 2 163 ? -8.456 -11.357 -16.766 1.00 75.43 ? 163 THR B C 1 ATOM 1662 O O . THR B 2 163 ? -8.116 -12.544 -16.729 1.00 72.83 ? 163 THR B O 1 ATOM 1663 C CB . THR B 2 163 ? -6.883 -9.351 -16.712 1.00 85.76 ? 163 THR B CB 1 ATOM 1664 O OG1 . THR B 2 163 ? -5.754 -10.038 -17.254 1.00 84.67 ? 163 THR B OG1 1 ATOM 1665 C CG2 . THR B 2 163 ? -6.434 -8.120 -15.928 1.00 86.86 ? 163 THR B CG2 1 ATOM 1666 N N . THR B 2 164 ? -9.426 -10.896 -17.582 1.00 72.20 ? 164 THR B N 1 ATOM 1667 C CA . THR B 2 164 ? -10.221 -11.700 -18.522 1.00 70.73 ? 164 THR B CA 1 ATOM 1668 C C . THR B 2 164 ? -11.059 -12.817 -17.884 1.00 70.63 ? 164 THR B C 1 ATOM 1669 O O . THR B 2 164 ? -12.255 -12.616 -17.673 1.00 70.77 ? 164 THR B O 1 ATOM 1670 C CB . THR B 2 164 ? -9.433 -12.101 -19.799 1.00 79.65 ? 164 THR B CB 1 ATOM 1671 O OG1 . THR B 2 164 ? -8.278 -12.868 -19.444 1.00 77.36 ? 164 THR B OG1 1 ATOM 1672 C CG2 . THR B 2 164 ? -9.029 -10.900 -20.644 1.00 81.50 ? 164 THR B CG2 1 ATOM 1673 N N . GLU B 2 165 ? -10.439 -13.981 -17.584 1.00 63.58 ? 165 GLU B N 1 ATOM 1674 C CA . GLU B 2 165 ? -11.107 -15.154 -17.004 1.00 60.88 ? 165 GLU B CA 1 ATOM 1675 C C . GLU B 2 165 ? -11.596 -14.929 -15.562 1.00 62.71 ? 165 GLU B C 1 ATOM 1676 O O . GLU B 2 165 ? -10.980 -14.165 -14.815 1.00 62.83 ? 165 GLU B O 1 ATOM 1677 C CB . GLU B 2 165 ? -10.226 -16.413 -17.126 1.00 60.46 ? 165 GLU B CB 1 ATOM 1678 C CG . GLU B 2 165 ? -10.075 -16.927 -18.554 1.00 70.99 ? 165 GLU B CG 1 ATOM 1679 C CD . GLU B 2 165 ? -9.260 -18.192 -18.766 1.00 89.30 ? 165 GLU B CD 1 ATOM 1680 O OE1 . GLU B 2 165 ? -8.896 -18.850 -17.765 1.00 81.55 ? 165 GLU B OE1 1 ATOM 1681 O OE2 . GLU B 2 165 ? -8.990 -18.530 -19.942 1.00 83.90 ? 165 GLU B OE2 1 ATOM 1682 N N . GLU B 2 166 ? -12.718 -15.584 -15.183 1.00 57.34 ? 166 GLU B N 1 ATOM 1683 C CA . GLU B 2 166 ? -13.338 -15.450 -13.855 1.00 56.38 ? 166 GLU B CA 1 ATOM 1684 C C . GLU B 2 166 ? -14.059 -16.714 -13.349 1.00 57.59 ? 166 GLU B C 1 ATOM 1685 O O . GLU B 2 166 ? -14.364 -17.610 -14.138 1.00 56.84 ? 166 GLU B O 1 ATOM 1686 C CB . GLU B 2 166 ? -14.291 -14.230 -13.811 1.00 59.80 ? 166 GLU B CB 1 ATOM 1687 C CG . GLU B 2 166 ? -15.453 -14.289 -14.796 1.00 71.00 ? 166 GLU B CG 1 ATOM 1688 C CD . GLU B 2 166 ? -16.418 -13.118 -14.774 1.00 91.66 ? 166 GLU B CD 1 ATOM 1689 O OE1 . GLU B 2 166 ? -17.643 -13.365 -14.846 1.00 85.96 ? 166 GLU B OE1 1 ATOM 1690 O OE2 . GLU B 2 166 ? -15.955 -11.955 -14.721 1.00 85.93 ? 166 GLU B OE2 1 ATOM 1691 N N . ILE B 2 167 ? -14.338 -16.764 -12.026 1.00 52.69 ? 167 ILE B N 1 ATOM 1692 C CA . ILE B 2 167 ? -15.068 -17.845 -11.343 1.00 51.23 ? 167 ILE B CA 1 ATOM 1693 C C . ILE B 2 167 ? -16.168 -17.269 -10.442 1.00 55.38 ? 167 ILE B C 1 ATOM 1694 O O . ILE B 2 167 ? -16.034 -16.145 -9.953 1.00 55.70 ? 167 ILE B O 1 ATOM 1695 C CB . ILE B 2 167 ? -14.155 -18.842 -10.561 1.00 52.71 ? 167 ILE B CB 1 ATOM 1696 C CG1 . ILE B 2 167 ? -13.361 -18.147 -9.417 1.00 53.02 ? 167 ILE B CG1 1 ATOM 1697 C CG2 . ILE B 2 167 ? -13.273 -19.675 -11.505 1.00 52.60 ? 167 ILE B CG2 1 ATOM 1698 C CD1 . ILE B 2 167 ? -12.780 -19.057 -8.321 1.00 58.77 ? 167 ILE B CD1 1 ATOM 1699 N N . GLU B 2 168 ? -17.238 -18.048 -10.208 1.00 51.65 ? 168 GLU B N 1 ATOM 1700 C CA . GLU B 2 168 ? -18.344 -17.647 -9.339 1.00 52.35 ? 168 GLU B CA 1 ATOM 1701 C C . GLU B 2 168 ? -18.036 -17.997 -7.885 1.00 55.29 ? 168 GLU B C 1 ATOM 1702 O O . GLU B 2 168 ? -17.511 -19.077 -7.608 1.00 53.64 ? 168 GLU B O 1 ATOM 1703 C CB . GLU B 2 168 ? -19.667 -18.290 -9.781 1.00 54.49 ? 168 GLU B CB 1 ATOM 1704 C CG . GLU B 2 168 ? -20.325 -17.590 -10.960 1.00 65.73 ? 168 GLU B CG 1 ATOM 1705 C CD . GLU B 2 168 ? -21.714 -18.065 -11.352 1.00 85.55 ? 168 GLU B CD 1 ATOM 1706 O OE1 . GLU B 2 168 ? -22.244 -19.001 -10.710 1.00 78.89 ? 168 GLU B OE1 1 ATOM 1707 O OE2 . GLU B 2 168 ? -22.277 -17.491 -12.312 1.00 80.53 ? 168 GLU B OE2 1 ATOM 1708 N N . VAL B 2 169 ? -18.338 -17.068 -6.964 1.00 52.76 ? 169 VAL B N 1 ATOM 1709 C CA . VAL B 2 169 ? -18.127 -17.227 -5.519 1.00 52.27 ? 169 VAL B CA 1 ATOM 1710 C C . VAL B 2 169 ? -19.396 -16.872 -4.731 1.00 57.59 ? 169 VAL B C 1 ATOM 1711 O O . VAL B 2 169 ? -20.210 -16.088 -5.210 1.00 58.59 ? 169 VAL B O 1 ATOM 1712 C CB . VAL B 2 169 ? -16.872 -16.477 -4.969 1.00 55.98 ? 169 VAL B CB 1 ATOM 1713 C CG1 . VAL B 2 169 ? -15.573 -17.107 -5.461 1.00 54.30 ? 169 VAL B CG1 1 ATOM 1714 C CG2 . VAL B 2 169 ? -16.908 -14.984 -5.285 1.00 57.39 ? 169 VAL B CG2 1 ATOM 1715 N N . HIS B 2 170 ? -19.566 -17.459 -3.534 1.00 78.68 ? 170 HIS B N 1 ATOM 1716 C CA . HIS B 2 170 ? -20.687 -17.194 -2.624 1.00 77.23 ? 170 HIS B CA 1 ATOM 1717 C C . HIS B 2 170 ? -20.334 -17.559 -1.184 1.00 79.34 ? 170 HIS B C 1 ATOM 1718 O O . HIS B 2 170 ? -19.305 -18.199 -0.951 1.00 78.25 ? 170 HIS B O 1 ATOM 1719 C CB . HIS B 2 170 ? -22.002 -17.877 -3.076 1.00 77.11 ? 170 HIS B CB 1 ATOM 1720 C CG . HIS B 2 170 ? -21.930 -19.365 -3.253 1.00 78.80 ? 170 HIS B CG 1 ATOM 1721 N ND1 . HIS B 2 170 ? -21.588 -20.209 -2.209 1.00 78.42 ? 170 HIS B ND1 1 ATOM 1722 C CD2 . HIS B 2 170 ? -22.246 -20.116 -4.332 1.00 80.83 ? 170 HIS B CD2 1 ATOM 1723 C CE1 . HIS B 2 170 ? -21.654 -21.435 -2.701 1.00 77.02 ? 170 HIS B CE1 1 ATOM 1724 N NE2 . HIS B 2 170 ? -22.052 -21.430 -3.972 1.00 78.71 ? 170 HIS B NE2 1 ATOM 1725 N N . MET B 2 171 ? -21.188 -17.161 -0.222 1.00 75.32 ? 171 MET B N 1 ATOM 1726 C CA . MET B 2 171 ? -21.007 -17.460 1.201 1.00 73.48 ? 171 MET B CA 1 ATOM 1727 C C . MET B 2 171 ? -21.084 -18.979 1.436 1.00 75.33 ? 171 MET B C 1 ATOM 1728 O O . MET B 2 171 ? -21.894 -19.644 0.783 1.00 74.40 ? 171 MET B O 1 ATOM 1729 C CB . MET B 2 171 ? -22.042 -16.713 2.057 1.00 75.57 ? 171 MET B CB 1 ATOM 1730 C CG . MET B 2 171 ? -21.801 -15.219 2.117 1.00 81.36 ? 171 MET B CG 1 ATOM 1731 S SD . MET B 2 171 ? -23.091 -14.338 3.023 1.00 85.58 ? 171 MET B SD 1 ATOM 1732 C CE . MET B 2 171 ? -22.639 -12.661 2.660 1.00 85.23 ? 171 MET B CE 1 ATOM 1733 N N . PRO B 2 172 ? -20.221 -19.556 2.306 1.00 71.05 ? 172 PRO B N 1 ATOM 1734 C CA . PRO B 2 172 ? -20.247 -21.014 2.509 1.00 69.40 ? 172 PRO B CA 1 ATOM 1735 C C . PRO B 2 172 ? -21.480 -21.513 3.266 1.00 72.23 ? 172 PRO B C 1 ATOM 1736 O O . PRO B 2 172 ? -22.056 -20.739 4.035 1.00 71.69 ? 172 PRO B O 1 ATOM 1737 C CB . PRO B 2 172 ? -18.965 -21.284 3.311 1.00 70.81 ? 172 PRO B CB 1 ATOM 1738 C CG . PRO B 2 172 ? -18.171 -20.015 3.267 1.00 76.84 ? 172 PRO B CG 1 ATOM 1739 C CD . PRO B 2 172 ? -19.179 -18.930 3.141 1.00 73.02 ? 172 PRO B CD 1 ATOM 1740 N N . PRO B 2 173 ? -21.886 -22.802 3.107 1.00 68.15 ? 173 PRO B N 1 ATOM 1741 C CA . PRO B 2 173 ? -23.049 -23.302 3.861 1.00 66.90 ? 173 PRO B CA 1 ATOM 1742 C C . PRO B 2 173 ? -22.727 -23.513 5.343 1.00 70.18 ? 173 PRO B C 1 ATOM 1743 O O . PRO B 2 173 ? -21.575 -23.340 5.753 1.00 69.87 ? 173 PRO B O 1 ATOM 1744 C CB . PRO B 2 173 ? -23.347 -24.637 3.173 1.00 68.21 ? 173 PRO B CB 1 ATOM 1745 C CG . PRO B 2 173 ? -22.009 -25.113 2.733 1.00 72.95 ? 173 PRO B CG 1 ATOM 1746 C CD . PRO B 2 173 ? -21.319 -23.866 2.249 1.00 69.82 ? 173 PRO B CD 1 ATOM 1747 N N . ASP B 2 174 ? -23.739 -23.908 6.140 1.00 66.29 ? 174 ASP B N 1 ATOM 1748 C CA . ASP B 2 174 ? -23.568 -24.181 7.566 1.00 65.46 ? 174 ASP B CA 1 ATOM 1749 C C . ASP B 2 174 ? -22.738 -25.452 7.734 1.00 69.34 ? 174 ASP B C 1 ATOM 1750 O O . ASP B 2 174 ? -23.082 -26.490 7.163 1.00 68.69 ? 174 ASP B O 1 ATOM 1751 C CB . ASP B 2 174 ? -24.930 -24.315 8.276 1.00 66.80 ? 174 ASP B CB 1 ATOM 1752 C CG . ASP B 2 174 ? -25.916 -23.183 8.033 1.00 77.85 ? 174 ASP B CG 1 ATOM 1753 O OD1 . ASP B 2 174 ? -25.468 -22.055 7.724 1.00 79.10 ? 174 ASP B OD1 1 ATOM 1754 O OD2 . ASP B 2 174 ? -27.134 -23.424 8.159 1.00 84.00 ? 174 ASP B OD2 1 ATOM 1755 N N . THR B 2 175 ? -21.615 -25.349 8.463 1.00 66.46 ? 175 THR B N 1 ATOM 1756 C CA . THR B 2 175 ? -20.698 -26.466 8.693 1.00 66.43 ? 175 THR B CA 1 ATOM 1757 C C . THR B 2 175 ? -21.123 -27.255 9.946 1.00 70.28 ? 175 THR B C 1 ATOM 1758 O O . THR B 2 175 ? -20.993 -26.727 11.054 1.00 69.59 ? 175 THR B O 1 ATOM 1759 C CB . THR B 2 175 ? -19.235 -25.971 8.732 1.00 75.02 ? 175 THR B CB 1 ATOM 1760 O OG1 . THR B 2 175 ? -19.001 -25.078 7.641 1.00 75.36 ? 175 THR B OG1 1 ATOM 1761 C CG2 . THR B 2 175 ? -18.227 -27.114 8.685 1.00 73.84 ? 175 THR B CG2 1 ATOM 1762 N N . PRO B 2 176 ? -21.633 -28.508 9.801 1.00 67.28 ? 176 PRO B N 1 ATOM 1763 C CA . PRO B 2 176 ? -22.046 -29.278 10.991 1.00 67.04 ? 176 PRO B CA 1 ATOM 1764 C C . PRO B 2 176 ? -20.869 -29.652 11.885 1.00 72.19 ? 176 PRO B C 1 ATOM 1765 O O . PRO B 2 176 ? -19.800 -30.000 11.383 1.00 72.19 ? 176 PRO B O 1 ATOM 1766 C CB . PRO B 2 176 ? -22.735 -30.520 10.406 1.00 68.77 ? 176 PRO B CB 1 ATOM 1767 C CG . PRO B 2 176 ? -22.943 -30.224 8.960 1.00 73.27 ? 176 PRO B CG 1 ATOM 1768 C CD . PRO B 2 176 ? -21.856 -29.285 8.567 1.00 69.09 ? 176 PRO B CD 1 ATOM 1769 N N . ASP B 2 177 ? -21.059 -29.532 13.209 1.00 69.53 ? 177 ASP B N 1 ATOM 1770 C CA . ASP B 2 177 ? -20.036 -29.825 14.212 1.00 70.20 ? 177 ASP B CA 1 ATOM 1771 C C . ASP B 2 177 ? -20.687 -30.295 15.516 1.00 75.32 ? 177 ASP B C 1 ATOM 1772 O O . ASP B 2 177 ? -21.368 -29.515 16.187 1.00 74.55 ? 177 ASP B O 1 ATOM 1773 C CB . ASP B 2 177 ? -19.133 -28.591 14.435 1.00 72.21 ? 177 ASP B CB 1 ATOM 1774 C CG . ASP B 2 177 ? -17.933 -28.800 15.342 1.00 82.71 ? 177 ASP B CG 1 ATOM 1775 O OD1 . ASP B 2 177 ? -17.448 -29.952 15.438 1.00 83.55 ? 177 ASP B OD1 1 ATOM 1776 O OD2 . ASP B 2 177 ? -17.452 -27.806 15.925 1.00 88.99 ? 177 ASP B OD2 1 ATOM 1777 N N . ARG B 2 178 ? -20.497 -31.583 15.853 1.00 73.42 ? 178 ARG B N 1 ATOM 1778 C CA . ARG B 2 178 ? -21.065 -32.194 17.059 1.00 74.09 ? 178 ARG B CA 1 ATOM 1779 C C . ARG B 2 178 ? -20.303 -31.861 18.350 1.00 79.35 ? 178 ARG B C 1 ATOM 1780 O O . ARG B 2 178 ? -20.847 -32.056 19.441 1.00 79.30 ? 178 ARG B O 1 ATOM 1781 C CB . ARG B 2 178 ? -21.262 -33.709 16.883 1.00 75.36 ? 178 ARG B CB 1 ATOM 1782 C CG . ARG B 2 178 ? -22.460 -34.055 16.007 1.00 86.94 ? 178 ARG B CG 1 ATOM 1783 C CD . ARG B 2 178 ? -23.043 -35.414 16.342 1.00 99.48 ? 178 ARG B CD 1 ATOM 1784 N NE . ARG B 2 178 ? -24.298 -35.654 15.626 1.00 109.15 ? 178 ARG B NE 1 ATOM 1785 C CZ . ARG B 2 178 ? -25.507 -35.373 16.106 1.00 123.92 ? 178 ARG B CZ 1 ATOM 1786 N NH1 . ARG B 2 178 ? -25.644 -34.840 17.314 1.00 111.33 ? 178 ARG B NH1 1 ATOM 1787 N NH2 . ARG B 2 178 ? -26.588 -35.621 15.380 1.00 111.13 ? 178 ARG B NH2 1 ATOM 1788 N N . THR B 2 179 ? -19.066 -31.327 18.228 1.00 76.72 ? 179 THR B N 1 ATOM 1789 C CA . THR B 2 179 ? -18.228 -30.940 19.372 1.00 77.36 ? 179 THR B CA 1 ATOM 1790 C C . THR B 2 179 ? -18.762 -29.689 20.092 1.00 81.52 ? 179 THR B C 1 ATOM 1791 O O . THR B 2 179 ? -18.372 -29.432 21.233 1.00 81.67 ? 179 THR B O 1 ATOM 1792 C CB . THR B 2 179 ? -16.743 -30.819 18.982 1.00 85.71 ? 179 THR B CB 1 ATOM 1793 O OG1 . THR B 2 179 ? -16.582 -29.778 18.021 1.00 84.52 ? 179 THR B OG1 1 ATOM 1794 C CG2 . THR B 2 179 ? -16.155 -32.128 18.462 1.00 84.97 ? 179 THR B CG2 1 ATOM 1795 N N . LEU B 2 180 ? -19.666 -28.930 19.432 1.00 77.77 ? 180 LEU B N 1 ATOM 1796 C CA . LEU B 2 180 ? -20.310 -27.728 19.978 1.00 77.51 ? 180 LEU B CA 1 ATOM 1797 C C . LEU B 2 180 ? -21.280 -28.088 21.111 1.00 82.27 ? 180 LEU B C 1 ATOM 1798 O O . LEU B 2 180 ? -21.559 -27.246 21.968 1.00 81.79 ? 180 LEU B O 1 ATOM 1799 C CB . LEU B 2 180 ? -21.089 -26.977 18.878 1.00 76.96 ? 180 LEU B CB 1 ATOM 1800 C CG . LEU B 2 180 ? -20.301 -26.345 17.729 1.00 81.65 ? 180 LEU B CG 1 ATOM 1801 C CD1 . LEU B 2 180 ? -21.194 -26.147 16.524 1.00 81.42 ? 180 LEU B CD1 1 ATOM 1802 C CD2 . LEU B 2 180 ? -19.688 -25.010 18.138 1.00 84.45 ? 180 LEU B CD2 1 ATOM 1803 N N . MET B 2 181 ? -21.801 -29.334 21.098 1.00 79.77 ? 181 MET B N 1 ATOM 1804 C CA . MET B 2 181 ? -22.771 -29.847 22.071 1.00 80.32 ? 181 MET B CA 1 ATOM 1805 C C . MET B 2 181 ? -22.136 -30.742 23.138 1.00 85.97 ? 181 MET B C 1 ATOM 1806 O O . MET B 2 181 ? -21.282 -31.576 22.826 1.00 85.93 ? 181 MET B O 1 ATOM 1807 C CB . MET B 2 181 ? -23.934 -30.591 21.380 1.00 82.56 ? 181 MET B CB 1 ATOM 1808 C CG . MET B 2 181 ? -24.161 -30.195 19.932 1.00 85.43 ? 181 MET B CG 1 ATOM 1809 S SD . MET B 2 181 ? -25.777 -30.682 19.303 1.00 89.58 ? 181 MET B SD 1 ATOM 1810 C CE . MET B 2 181 ? -26.692 -29.232 19.684 1.00 85.92 ? 181 MET B CE 1 ATOM 1811 N N . SER B 2 182 ? -22.584 -30.570 24.395 1.00 83.73 ? 182 SER B N 1 ATOM 1812 C CA . SER B 2 182 ? -22.147 -31.326 25.575 1.00 85.10 ? 182 SER B CA 1 ATOM 1813 C C . SER B 2 182 ? -23.327 -31.537 26.541 1.00 90.27 ? 182 SER B C 1 ATOM 1814 O O . SER B 2 182 ? -24.368 -30.897 26.376 1.00 89.20 ? 182 SER B O 1 ATOM 1815 C CB . SER B 2 182 ? -20.993 -30.611 26.275 1.00 88.89 ? 182 SER B CB 1 ATOM 1816 O OG . SER B 2 182 ? -21.364 -29.311 26.704 1.00 97.07 ? 182 SER B OG 1 ATOM 1817 N N . GLN B 2 183 ? -23.174 -32.438 27.533 1.00 88.82 ? 183 GLN B N 1 ATOM 1818 C CA . GLN B 2 183 ? -24.240 -32.744 28.495 1.00 89.90 ? 183 GLN B CA 1 ATOM 1819 C C . GLN B 2 183 ? -24.007 -32.146 29.883 1.00 95.07 ? 183 GLN B C 1 ATOM 1820 O O . GLN B 2 183 ? -23.005 -32.469 30.527 1.00 95.64 ? 183 GLN B O 1 ATOM 1821 C CB . GLN B 2 183 ? -24.493 -34.265 28.599 1.00 92.78 ? 183 GLN B CB 1 ATOM 1822 C CG . GLN B 2 183 ? -24.885 -34.953 27.290 1.00 107.62 ? 183 GLN B CG 1 ATOM 1823 C CD . GLN B 2 183 ? -26.376 -35.014 27.065 1.00 127.31 ? 183 GLN B CD 1 ATOM 1824 O OE1 . GLN B 2 183 ? -26.938 -34.244 26.284 1.00 122.04 ? 183 GLN B OE1 1 ATOM 1825 N NE2 . GLN B 2 183 ? -27.047 -35.953 27.715 1.00 120.86 ? 183 GLN B NE2 1 ATOM 1826 N N . GLN B 2 184 ? -24.931 -31.276 30.347 1.00 91.70 ? 184 GLN B N 1 ATOM 1827 C CA . GLN B 2 184 ? -24.837 -30.691 31.688 1.00 92.54 ? 184 GLN B CA 1 ATOM 1828 C C . GLN B 2 184 ? -26.162 -30.630 32.488 1.00 97.69 ? 184 GLN B C 1 ATOM 1829 O O . GLN B 2 184 ? -26.930 -29.676 32.352 1.00 96.47 ? 184 GLN B O 1 ATOM 1830 C CB . GLN B 2 184 ? -23.943 -29.430 31.788 1.00 93.02 ? 184 GLN B CB 1 ATOM 1831 C CG . GLN B 2 184 ? -24.423 -28.186 31.049 1.00 107.06 ? 184 GLN B CG 1 ATOM 1832 C CD . GLN B 2 184 ? -23.475 -27.015 31.203 1.00 125.95 ? 184 GLN B CD 1 ATOM 1833 O OE1 . GLN B 2 184 ? -22.263 -27.115 30.967 1.00 121.65 ? 184 GLN B OE1 1 ATOM 1834 N NE2 . GLN B 2 184 ? -24.017 -25.860 31.552 1.00 117.44 ? 184 GLN B NE2 1 ATOM 1835 N N . SER B 2 185 ? -26.436 -31.649 33.333 1.00 96.39 ? 185 SER B N 1 ATOM 1836 C CA . SER B 2 185 ? -25.612 -32.852 33.531 1.00 97.65 ? 185 SER B CA 1 ATOM 1837 C C . SER B 2 185 ? -26.130 -33.955 32.610 1.00 101.90 ? 185 SER B C 1 ATOM 1838 O O . SER B 2 185 ? -25.353 -34.763 32.097 1.00 101.72 ? 185 SER B O 1 ATOM 1839 C CB . SER B 2 185 ? -25.665 -33.309 34.985 1.00 103.51 ? 185 SER B CB 1 ATOM 1840 O OG . SER B 2 185 ? -25.136 -32.321 35.853 1.00 112.35 ? 185 SER B OG 1 ATOM 1841 N N . GLY B 2 186 ? -27.446 -33.955 32.420 1.00 98.61 ? 186 GLY B N 1 ATOM 1842 C CA . GLY B 2 186 ? -28.171 -34.859 31.541 1.00 98.72 ? 186 GLY B CA 1 ATOM 1843 C C . GLY B 2 186 ? -29.041 -34.069 30.586 1.00 101.05 ? 186 GLY B C 1 ATOM 1844 O O . GLY B 2 186 ? -30.091 -34.553 30.158 1.00 101.07 ? 186 GLY B O 1 ATOM 1845 N N . ASN B 2 187 ? -28.606 -32.829 30.269 1.00 95.98 ? 187 ASN B N 1 ATOM 1846 C CA . ASN B 2 187 ? -29.277 -31.883 29.369 1.00 94.27 ? 187 ASN B CA 1 ATOM 1847 C C . ASN B 2 187 ? -28.339 -31.513 28.205 1.00 96.30 ? 187 ASN B C 1 ATOM 1848 O O . ASN B 2 187 ? -27.270 -32.103 28.097 1.00 96.00 ? 187 ASN B O 1 ATOM 1849 C CB . ASN B 2 187 ? -29.723 -30.632 30.144 1.00 95.25 ? 187 ASN B CB 1 ATOM 1850 C CG . ASN B 2 187 ? -30.511 -30.926 31.398 1.00 121.88 ? 187 ASN B CG 1 ATOM 1851 O OD1 . ASN B 2 187 ? -31.610 -31.493 31.365 1.00 117.65 ? 187 ASN B OD1 1 ATOM 1852 N ND2 . ASN B 2 187 ? -29.958 -30.544 32.538 1.00 114.82 ? 187 ASN B ND2 1 ATOM 1853 N N . VAL B 2 188 ? -28.732 -30.564 27.329 1.00 91.40 ? 188 VAL B N 1 ATOM 1854 C CA . VAL B 2 188 ? -27.909 -30.160 26.178 1.00 89.82 ? 188 VAL B CA 1 ATOM 1855 C C . VAL B 2 188 ? -27.321 -28.752 26.356 1.00 92.64 ? 188 VAL B C 1 ATOM 1856 O O . VAL B 2 188 ? -28.067 -27.790 26.543 1.00 91.99 ? 188 VAL B O 1 ATOM 1857 C CB . VAL B 2 188 ? -28.645 -30.342 24.813 1.00 93.12 ? 188 VAL B CB 1 ATOM 1858 C CG1 . VAL B 2 188 ? -27.802 -29.843 23.639 1.00 91.76 ? 188 VAL B CG1 1 ATOM 1859 C CG2 . VAL B 2 188 ? -29.042 -31.797 24.591 1.00 93.86 ? 188 VAL B CG2 1 ATOM 1860 N N . LYS B 2 189 ? -25.982 -28.645 26.284 1.00 88.77 ? 189 LYS B N 1 ATOM 1861 C CA . LYS B 2 189 ? -25.243 -27.387 26.385 1.00 87.94 ? 189 LYS B CA 1 ATOM 1862 C C . LYS B 2 189 ? -24.560 -27.089 25.051 1.00 90.75 ? 189 LYS B C 1 ATOM 1863 O O . LYS B 2 189 ? -23.743 -27.887 24.589 1.00 90.36 ? 189 LYS B O 1 ATOM 1864 C CB . LYS B 2 189 ? -24.216 -27.445 27.538 1.00 91.21 ? 189 LYS B CB 1 ATOM 1865 C CG . LYS B 2 189 ? -23.195 -26.295 27.581 1.00 105.06 ? 189 LYS B CG 1 ATOM 1866 C CD . LYS B 2 189 ? -23.769 -24.979 28.121 1.00 114.94 ? 189 LYS B CD 1 ATOM 1867 C CE . LYS B 2 189 ? -22.827 -23.812 27.932 1.00 125.49 ? 189 LYS B CE 1 ATOM 1868 N NZ . LYS B 2 189 ? -21.666 -23.867 28.862 1.00 135.25 ? 189 LYS B NZ 1 ATOM 1869 N N . ILE B 2 190 ? -24.895 -25.940 24.442 1.00 86.59 ? 190 ILE B N 1 ATOM 1870 C CA . ILE B 2 190 ? -24.319 -25.503 23.167 1.00 85.75 ? 190 ILE B CA 1 ATOM 1871 C C . ILE B 2 190 ? -23.378 -24.321 23.423 1.00 89.60 ? 190 ILE B C 1 ATOM 1872 O O . ILE B 2 190 ? -23.833 -23.241 23.811 1.00 89.24 ? 190 ILE B O 1 ATOM 1873 C CB . ILE B 2 190 ? -25.415 -25.197 22.098 1.00 88.40 ? 190 ILE B CB 1 ATOM 1874 C CG1 . ILE B 2 190 ? -26.359 -26.399 21.905 1.00 88.98 ? 190 ILE B CG1 1 ATOM 1875 C CG2 . ILE B 2 190 ? -24.793 -24.780 20.757 1.00 88.72 ? 190 ILE B CG2 1 ATOM 1876 C CD1 . ILE B 2 190 ? -27.826 -26.054 21.853 1.00 96.55 ? 190 ILE B CD1 1 ATOM 1877 N N . THR B 2 191 ? -22.065 -24.545 23.234 1.00 86.26 ? 191 THR B N 1 ATOM 1878 C CA . THR B 2 191 ? -21.041 -23.518 23.425 1.00 86.33 ? 191 THR B CA 1 ATOM 1879 C C . THR B 2 191 ? -20.733 -22.866 22.076 1.00 89.81 ? 191 THR B C 1 ATOM 1880 O O . THR B 2 191 ? -20.201 -23.518 21.174 1.00 89.20 ? 191 THR B O 1 ATOM 1881 C CB . THR B 2 191 ? -19.819 -24.078 24.177 1.00 95.16 ? 191 THR B CB 1 ATOM 1882 O OG1 . THR B 2 191 ? -20.265 -24.808 25.323 1.00 95.21 ? 191 THR B OG1 1 ATOM 1883 C CG2 . THR B 2 191 ? -18.852 -22.983 24.620 1.00 94.31 ? 191 THR B CG2 1 ATOM 1884 N N . VAL B 2 192 ? -21.111 -21.584 21.944 1.00 86.43 ? 192 VAL B N 1 ATOM 1885 C CA . VAL B 2 192 ? -20.966 -20.768 20.739 1.00 86.31 ? 192 VAL B CA 1 ATOM 1886 C C . VAL B 2 192 ? -19.508 -20.491 20.305 1.00 90.65 ? 192 VAL B C 1 ATOM 1887 O O . VAL B 2 192 ? -19.226 -20.519 19.105 1.00 90.31 ? 192 VAL B O 1 ATOM 1888 C CB . VAL B 2 192 ? -21.904 -19.523 20.793 1.00 90.42 ? 192 VAL B CB 1 ATOM 1889 C CG1 . VAL B 2 192 ? -21.156 -18.194 20.670 1.00 91.06 ? 192 VAL B CG1 1 ATOM 1890 C CG2 . VAL B 2 192 ? -23.024 -19.630 19.765 1.00 89.92 ? 192 VAL B CG2 1 ATOM 1891 N N . ASN B 2 193 ? -18.594 -20.259 21.281 1.00 87.68 ? 193 ASN B N 1 ATOM 1892 C CA . ASN B 2 193 ? -17.163 -19.965 21.084 1.00 88.30 ? 193 ASN B CA 1 ATOM 1893 C C . ASN B 2 193 ? -16.879 -18.766 20.147 1.00 92.66 ? 193 ASN B C 1 ATOM 1894 O O . ASN B 2 193 ? -15.956 -18.814 19.328 1.00 92.79 ? 193 ASN B O 1 ATOM 1895 C CB . ASN B 2 193 ? -16.370 -21.225 20.687 1.00 89.24 ? 193 ASN B CB 1 ATOM 1896 C CG . ASN B 2 193 ? -16.250 -22.254 21.784 1.00 112.84 ? 193 ASN B CG 1 ATOM 1897 O OD1 . ASN B 2 193 ? -15.700 -21.998 22.862 1.00 107.70 ? 193 ASN B OD1 1 ATOM 1898 N ND2 . ASN B 2 193 ? -16.723 -23.459 21.511 1.00 104.44 ? 193 ASN B ND2 1 ATOM 1899 N N . GLY B 2 194 ? -17.675 -17.706 20.300 1.00 89.21 ? 194 GLY B N 1 ATOM 1900 C CA . GLY B 2 194 ? -17.572 -16.476 19.518 1.00 89.89 ? 194 GLY B CA 1 ATOM 1901 C C . GLY B 2 194 ? -17.925 -16.630 18.051 1.00 93.47 ? 194 GLY B C 1 ATOM 1902 O O . GLY B 2 194 ? -17.362 -15.933 17.202 1.00 94.10 ? 194 GLY B O 1 ATOM 1903 N N . GLN B 2 195 ? -18.862 -17.547 17.745 1.00 88.79 ? 195 GLN B N 1 ATOM 1904 C CA . GLN B 2 195 ? -19.329 -17.853 16.388 1.00 88.36 ? 195 GLN B CA 1 ATOM 1905 C C . GLN B 2 195 ? -20.861 -17.819 16.321 1.00 91.50 ? 195 GLN B C 1 ATOM 1906 O O . GLN B 2 195 ? -21.521 -17.831 17.360 1.00 90.51 ? 195 GLN B O 1 ATOM 1907 C CB . GLN B 2 195 ? -18.831 -19.247 15.952 1.00 89.10 ? 195 GLN B CB 1 ATOM 1908 C CG . GLN B 2 195 ? -17.318 -19.369 15.785 1.00 104.59 ? 195 GLN B CG 1 ATOM 1909 C CD . GLN B 2 195 ? -16.885 -20.805 15.611 1.00 122.35 ? 195 GLN B CD 1 ATOM 1910 O OE1 . GLN B 2 195 ? -17.000 -21.634 16.521 1.00 117.11 ? 195 GLN B OE1 1 ATOM 1911 N NE2 . GLN B 2 195 ? -16.351 -21.125 14.442 1.00 114.33 ? 195 GLN B NE2 1 ATOM 1912 N N . THR B 2 196 ? -21.425 -17.786 15.103 1.00 88.26 ? 196 THR B N 1 ATOM 1913 C CA . THR B 2 196 ? -22.873 -17.813 14.898 1.00 87.70 ? 196 THR B CA 1 ATOM 1914 C C . THR B 2 196 ? -23.236 -19.277 14.605 1.00 90.60 ? 196 THR B C 1 ATOM 1915 O O . THR B 2 196 ? -22.866 -19.805 13.554 1.00 90.21 ? 196 THR B O 1 ATOM 1916 C CB . THR B 2 196 ? -23.297 -16.790 13.826 1.00 96.43 ? 196 THR B CB 1 ATOM 1917 O OG1 . THR B 2 196 ? -22.719 -15.519 14.130 1.00 96.88 ? 196 THR B OG1 1 ATOM 1918 C CG2 . THR B 2 196 ? -24.812 -16.648 13.713 1.00 94.85 ? 196 THR B CG2 1 ATOM 1919 N N . VAL B 2 197 ? -23.893 -19.943 15.572 1.00 86.44 ? 197 VAL B N 1 ATOM 1920 C CA . VAL B 2 197 ? -24.251 -21.364 15.493 1.00 85.56 ? 197 VAL B CA 1 ATOM 1921 C C . VAL B 2 197 ? -25.752 -21.574 15.263 1.00 89.54 ? 197 VAL B C 1 ATOM 1922 O O . VAL B 2 197 ? -26.573 -20.995 15.978 1.00 89.16 ? 197 VAL B O 1 ATOM 1923 C CB . VAL B 2 197 ? -23.721 -22.149 16.735 1.00 89.02 ? 197 VAL B CB 1 ATOM 1924 C CG1 . VAL B 2 197 ? -24.125 -23.624 16.699 1.00 88.36 ? 197 VAL B CG1 1 ATOM 1925 C CG2 . VAL B 2 197 ? -22.205 -22.018 16.869 1.00 89.14 ? 197 VAL B CG2 1 ATOM 1926 N N . ARG B 2 198 ? -26.097 -22.415 14.268 1.00 86.33 ? 198 ARG B N 1 ATOM 1927 C CA . ARG B 2 198 ? -27.471 -22.794 13.949 1.00 86.37 ? 198 ARG B CA 1 ATOM 1928 C C . ARG B 2 198 ? -27.747 -24.157 14.590 1.00 90.36 ? 198 ARG B C 1 ATOM 1929 O O . ARG B 2 198 ? -27.064 -25.136 14.274 1.00 89.70 ? 198 ARG B O 1 ATOM 1930 C CB . ARG B 2 198 ? -27.714 -22.820 12.429 1.00 86.94 ? 198 ARG B CB 1 ATOM 1931 C CG . ARG B 2 198 ? -29.191 -22.710 12.058 1.00 97.18 ? 198 ARG B CG 1 ATOM 1932 C CD . ARG B 2 198 ? -29.439 -22.810 10.562 1.00 107.21 ? 198 ARG B CD 1 ATOM 1933 N NE . ARG B 2 198 ? -28.895 -21.669 9.820 1.00 116.41 ? 198 ARG B NE 1 ATOM 1934 C CZ . ARG B 2 198 ? -29.554 -20.539 9.580 1.00 131.38 ? 198 ARG B CZ 1 ATOM 1935 N NH1 . ARG B 2 198 ? -30.794 -20.376 10.027 1.00 118.96 ? 198 ARG B NH1 1 ATOM 1936 N NH2 . ARG B 2 198 ? -28.978 -19.562 8.894 1.00 118.92 ? 198 ARG B NH2 1 ATOM 1937 N N . TYR B 2 199 ? -28.712 -24.206 15.525 1.00 87.46 ? 199 TYR B N 1 ATOM 1938 C CA . TYR B 2 199 ? -29.056 -25.429 16.248 1.00 87.42 ? 199 TYR B CA 1 ATOM 1939 C C . TYR B 2 199 ? -30.527 -25.834 16.150 1.00 92.03 ? 199 TYR B C 1 ATOM 1940 O O . TYR B 2 199 ? -31.407 -24.973 16.105 1.00 91.95 ? 199 TYR B O 1 ATOM 1941 C CB . TYR B 2 199 ? -28.580 -25.362 17.714 1.00 88.70 ? 199 TYR B CB 1 ATOM 1942 C CG . TYR B 2 199 ? -29.371 -24.422 18.600 1.00 90.93 ? 199 TYR B CG 1 ATOM 1943 C CD1 . TYR B 2 199 ? -29.052 -23.069 18.676 1.00 93.00 ? 199 TYR B CD1 1 ATOM 1944 C CD2 . TYR B 2 199 ? -30.406 -24.893 19.402 1.00 92.17 ? 199 TYR B CD2 1 ATOM 1945 C CE1 . TYR B 2 199 ? -29.769 -22.201 19.498 1.00 94.28 ? 199 TYR B CE1 1 ATOM 1946 C CE2 . TYR B 2 199 ? -31.133 -24.034 20.224 1.00 93.52 ? 199 TYR B CE2 1 ATOM 1947 C CZ . TYR B 2 199 ? -30.806 -22.689 20.275 1.00 101.06 ? 199 TYR B CZ 1 ATOM 1948 O OH . TYR B 2 199 ? -31.514 -21.839 21.089 1.00 102.67 ? 199 TYR B OH 1 ATOM 1949 N N . LYS B 2 200 ? -30.781 -27.155 16.137 1.00 89.02 ? 200 LYS B N 1 ATOM 1950 C CA . LYS B 2 200 ? -32.115 -27.759 16.077 1.00 89.58 ? 200 LYS B CA 1 ATOM 1951 C C . LYS B 2 200 ? -32.160 -28.986 16.989 1.00 93.86 ? 200 LYS B C 1 ATOM 1952 O O . LYS B 2 200 ? -31.330 -29.887 16.848 1.00 93.28 ? 200 LYS B O 1 ATOM 1953 C CB . LYS B 2 200 ? -32.488 -28.142 14.634 1.00 92.43 ? 200 LYS B CB 1 ATOM 1954 C CG . LYS B 2 200 ? -32.946 -26.975 13.769 1.00 108.83 ? 200 LYS B CG 1 ATOM 1955 C CD . LYS B 2 200 ? -33.168 -27.415 12.325 1.00 120.05 ? 200 LYS B CD 1 ATOM 1956 C CE . LYS B 2 200 ? -33.543 -26.275 11.407 1.00 132.13 ? 200 LYS B CE 1 ATOM 1957 N NZ . LYS B 2 200 ? -32.386 -25.388 11.108 1.00 141.02 ? 200 LYS B NZ 1 ATOM 1958 N N . CYS B 2 201 ? -33.116 -29.007 17.934 1.00 91.18 ? 201 CYS B N 1 ATOM 1959 C CA . CYS B 2 201 ? -33.292 -30.095 18.898 1.00 91.79 ? 201 CYS B CA 1 ATOM 1960 C C . CYS B 2 201 ? -34.666 -30.750 18.776 1.00 97.92 ? 201 CYS B C 1 ATOM 1961 O O . CYS B 2 201 ? -35.653 -30.063 18.504 1.00 97.77 ? 201 CYS B O 1 ATOM 1962 C CB . CYS B 2 201 ? -33.040 -29.599 20.320 1.00 91.94 ? 201 CYS B CB 1 ATOM 1963 S SG . CYS B 2 201 ? -31.298 -29.290 20.705 1.00 94.78 ? 201 CYS B SG 1 ATOM 1964 N N . ASN B 2 202 ? -34.735 -32.075 19.019 1.00 96.26 ? 202 ASN B N 1 ATOM 1965 C CA . ASN B 2 202 ? -35.983 -32.846 18.984 1.00 97.88 ? 202 ASN B CA 1 ATOM 1966 C C . ASN B 2 202 ? -36.659 -32.804 20.376 1.00 103.89 ? 202 ASN B C 1 ATOM 1967 O O . ASN B 2 202 ? -37.074 -33.833 20.919 1.00 104.76 ? 202 ASN B O 1 ATOM 1968 C CB . ASN B 2 202 ? -35.718 -34.283 18.500 1.00 99.44 ? 202 ASN B CB 1 ATOM 1969 C CG . ASN B 2 202 ? -36.946 -35.022 18.020 1.00 124.39 ? 202 ASN B CG 1 ATOM 1970 O OD1 . ASN B 2 202 ? -37.655 -34.586 17.106 1.00 118.74 ? 202 ASN B OD1 1 ATOM 1971 N ND2 . ASN B 2 202 ? -37.203 -36.182 18.606 1.00 117.91 ? 202 ASN B ND2 1 ATOM 1972 N N . CYS B 2 203 ? -36.746 -31.587 20.949 1.00 100.98 ? 203 CYS B N 1 ATOM 1973 C CA . CYS B 2 203 ? -37.322 -31.287 22.262 1.00 102.24 ? 203 CYS B CA 1 ATOM 1974 C C . CYS B 2 203 ? -38.151 -29.994 22.198 1.00 107.10 ? 203 CYS B C 1 ATOM 1975 O O . CYS B 2 203 ? -38.007 -29.213 21.255 1.00 105.73 ? 203 CYS B O 1 ATOM 1976 C CB . CYS B 2 203 ? -36.222 -31.191 23.317 1.00 102.17 ? 203 CYS B CB 1 ATOM 1977 S SG . CYS B 2 203 ? -35.316 -32.736 23.599 1.00 106.66 ? 203 CYS B SG 1 ATOM 1978 N N . GLY B 2 204 ? -38.997 -29.781 23.205 1.00 105.66 ? 204 GLY B N 1 ATOM 1979 C CA . GLY B 2 204 ? -39.841 -28.594 23.302 1.00 106.12 ? 204 GLY B CA 1 ATOM 1980 C C . GLY B 2 204 ? -39.115 -27.364 23.814 1.00 109.95 ? 204 GLY B C 1 ATOM 1981 O O . GLY B 2 204 ? -37.918 -27.417 24.113 1.00 108.61 ? 204 GLY B O 1 ATOM 1982 N N . GLY B 2 205 ? -39.848 -26.257 23.904 1.00 107.61 ? 205 GLY B N 1 ATOM 1983 C CA . GLY B 2 205 ? -39.334 -24.982 24.391 1.00 107.16 ? 205 GLY B CA 1 ATOM 1984 C C . GLY B 2 205 ? -38.614 -24.192 23.325 1.00 110.59 ? 205 GLY B C 1 ATOM 1985 O O . GLY B 2 205 ? -39.254 -23.527 22.509 1.00 110.40 ? 205 GLY B O 1 ATOM 1986 N N . SER B 2 206 ? -37.276 -24.254 23.332 1.00 106.64 ? 206 SER B N 1 ATOM 1987 C CA . SER B 2 206 ? -36.443 -23.556 22.358 1.00 105.69 ? 206 SER B CA 1 ATOM 1988 C C . SER B 2 206 ? -35.607 -24.553 21.562 1.00 109.24 ? 206 SER B C 1 ATOM 1989 O O . SER B 2 206 ? -34.889 -25.366 22.149 1.00 108.64 ? 206 SER B O 1 ATOM 1990 C CB . SER B 2 206 ? -35.554 -22.524 23.048 1.00 108.92 ? 206 SER B CB 1 ATOM 1991 O OG . SER B 2 206 ? -36.327 -21.534 23.706 1.00 118.69 ? 206 SER B OG 1 ATOM 1992 N N . ASN B 2 207 ? -35.737 -24.514 20.224 1.00 105.81 ? 207 ASN B N 1 ATOM 1993 C CA . ASN B 2 207 ? -35.011 -25.389 19.297 1.00 105.09 ? 207 ASN B CA 1 ATOM 1994 C C . ASN B 2 207 ? -34.710 -24.698 17.955 1.00 108.64 ? 207 ASN B C 1 ATOM 1995 O O . ASN B 2 207 ? -34.360 -25.363 16.975 1.00 107.93 ? 207 ASN B O 1 ATOM 1996 C CB . ASN B 2 207 ? -35.734 -26.735 19.111 1.00 106.63 ? 207 ASN B CB 1 ATOM 1997 C CG . ASN B 2 207 ? -37.165 -26.622 18.650 1.00 130.99 ? 207 ASN B CG 1 ATOM 1998 O OD1 . ASN B 2 207 ? -38.101 -26.592 19.455 1.00 126.36 ? 207 ASN B OD1 1 ATOM 1999 N ND2 . ASN B 2 207 ? -37.368 -26.588 17.342 1.00 122.84 ? 207 ASN B ND2 1 ATOM 2000 N N . GLU B 2 208 ? -34.823 -23.357 17.926 1.00 105.38 ? 208 GLU B N 1 ATOM 2001 C CA . GLU B 2 208 ? -34.549 -22.549 16.737 1.00 105.17 ? 208 GLU B CA 1 ATOM 2002 C C . GLU B 2 208 ? -33.342 -21.625 16.935 1.00 108.42 ? 208 GLU B C 1 ATOM 2003 O O . GLU B 2 208 ? -32.839 -21.497 18.054 1.00 107.72 ? 208 GLU B O 1 ATOM 2004 C CB . GLU B 2 208 ? -35.808 -21.800 16.256 1.00 107.58 ? 208 GLU B CB 1 ATOM 2005 C CG . GLU B 2 208 ? -36.859 -22.704 15.621 1.00 118.81 ? 208 GLU B CG 1 ATOM 2006 C CD . GLU B 2 208 ? -36.404 -23.564 14.455 1.00 138.58 ? 208 GLU B CD 1 ATOM 2007 O OE1 . GLU B 2 208 ? -35.883 -23.003 13.464 1.00 133.19 ? 208 GLU B OE1 1 ATOM 2008 O OE2 . GLU B 2 208 ? -36.580 -24.802 14.529 1.00 132.14 ? 208 GLU B OE2 1 ATOM 2009 N N . GLY B 2 209 ? -32.873 -21.028 15.842 1.00 104.94 ? 209 GLY B N 1 ATOM 2010 C CA . GLY B 2 209 ? -31.696 -20.168 15.829 1.00 104.53 ? 209 GLY B CA 1 ATOM 2011 C C . GLY B 2 209 ? -30.475 -20.952 15.377 1.00 107.44 ? 209 GLY B C 1 ATOM 2012 O O . GLY B 2 209 ? -30.517 -22.183 15.425 1.00 106.57 ? 209 GLY B O 1 ATOM 2013 N N . LEU B 2 210 ? -29.372 -20.316 14.905 1.00 103.85 ? 210 LEU B N 1 ATOM 2014 C CA . LEU B 2 210 ? -29.043 -18.894 14.749 1.00 104.27 ? 210 LEU B CA 1 ATOM 2015 C C . LEU B 2 210 ? -28.908 -18.090 16.046 1.00 107.68 ? 210 LEU B C 1 ATOM 2016 O O . LEU B 2 210 ? -29.756 -17.253 16.372 1.00 107.84 ? 210 LEU B O 1 ATOM 2017 C CB . LEU B 2 210 ? -29.826 -18.178 13.626 1.00 105.36 ? 210 LEU B CB 1 ATOM 2018 C CG . LEU B 2 210 ? -29.018 -17.206 12.758 1.00 111.07 ? 210 LEU B CG 1 ATOM 2019 C CD1 . LEU B 2 210 ? -28.046 -17.947 11.840 1.00 110.96 ? 210 LEU B CD1 1 ATOM 2020 C CD2 . LEU B 2 210 ? -29.937 -16.337 11.925 1.00 114.93 ? 210 LEU B CD2 1 ATOM 2021 N N . THR B 2 211 ? -27.827 -18.380 16.792 1.00 103.37 ? 211 THR B N 1 ATOM 2022 C CA . THR B 2 211 ? -27.483 -17.731 18.059 1.00 103.14 ? 211 THR B CA 1 ATOM 2023 C C . THR B 2 211 ? -26.031 -17.271 18.082 1.00 106.84 ? 211 THR B C 1 ATOM 2024 O O . THR B 2 211 ? -25.149 -17.973 17.582 1.00 106.01 ? 211 THR B O 1 ATOM 2025 C CB . THR B 2 211 ? -27.817 -18.619 19.265 1.00 110.46 ? 211 THR B CB 1 ATOM 2026 O OG1 . THR B 2 211 ? -27.372 -19.956 19.028 1.00 109.26 ? 211 THR B OG1 1 ATOM 2027 C CG2 . THR B 2 211 ? -29.290 -18.595 19.613 1.00 109.41 ? 211 THR B CG2 1 ATOM 2028 N N . THR B 2 212 ? -25.792 -16.083 18.661 1.00 103.94 ? 212 THR B N 1 ATOM 2029 C CA . THR B 2 212 ? -24.465 -15.472 18.799 1.00 104.17 ? 212 THR B CA 1 ATOM 2030 C C . THR B 2 212 ? -23.959 -15.645 20.244 1.00 107.34 ? 212 THR B C 1 ATOM 2031 O O . THR B 2 212 ? -22.839 -15.241 20.570 1.00 107.36 ? 212 THR B O 1 ATOM 2032 C CB . THR B 2 212 ? -24.502 -13.989 18.362 1.00 113.83 ? 212 THR B CB 1 ATOM 2033 O OG1 . THR B 2 212 ? -25.591 -13.761 17.465 1.00 114.05 ? 212 THR B OG1 1 ATOM 2034 C CG2 . THR B 2 212 ? -23.199 -13.537 17.719 1.00 113.32 ? 212 THR B CG2 1 ATOM 2035 N N . THR B 2 213 ? -24.797 -16.259 21.103 1.00 102.99 ? 213 THR B N 1 ATOM 2036 C CA . THR B 2 213 ? -24.537 -16.502 22.526 1.00 102.50 ? 213 THR B CA 1 ATOM 2037 C C . THR B 2 213 ? -24.752 -17.983 22.889 1.00 105.01 ? 213 THR B C 1 ATOM 2038 O O . THR B 2 213 ? -25.429 -18.701 22.146 1.00 104.12 ? 213 THR B O 1 ATOM 2039 C CB . THR B 2 213 ? -25.431 -15.578 23.382 1.00 111.32 ? 213 THR B CB 1 ATOM 2040 O OG1 . THR B 2 213 ? -26.804 -15.793 23.050 1.00 110.76 ? 213 THR B OG1 1 ATOM 2041 C CG2 . THR B 2 213 ? -25.084 -14.094 23.224 1.00 110.98 ? 213 THR B CG2 1 ATOM 2042 N N . ASP B 2 214 ? -24.183 -18.432 24.034 1.00 101.16 ? 214 ASP B N 1 ATOM 2043 C CA . ASP B 2 214 ? -24.310 -19.807 24.538 1.00 100.41 ? 214 ASP B CA 1 ATOM 2044 C C . ASP B 2 214 ? -25.752 -20.113 24.944 1.00 103.66 ? 214 ASP B C 1 ATOM 2045 O O . ASP B 2 214 ? -26.400 -19.282 25.585 1.00 103.61 ? 214 ASP B O 1 ATOM 2046 C CB . ASP B 2 214 ? -23.358 -20.051 25.728 1.00 102.61 ? 214 ASP B CB 1 ATOM 2047 C CG . ASP B 2 214 ? -21.913 -20.359 25.369 1.00 112.27 ? 214 ASP B CG 1 ATOM 2048 O OD1 . ASP B 2 214 ? -21.491 -20.017 24.242 1.00 112.61 ? 214 ASP B OD1 1 ATOM 2049 O OD2 . ASP B 2 214 ? -21.195 -20.914 26.228 1.00 118.32 ? 214 ASP B OD2 1 ATOM 2050 N N . LYS B 2 215 ? -26.253 -21.297 24.553 1.00 99.49 ? 215 LYS B N 1 ATOM 2051 C CA . LYS B 2 215 ? -27.620 -21.728 24.848 1.00 99.31 ? 215 LYS B CA 1 ATOM 2052 C C . LYS B 2 215 ? -27.670 -23.088 25.539 1.00 102.92 ? 215 LYS B C 1 ATOM 2053 O O . LYS B 2 215 ? -26.841 -23.958 25.260 1.00 102.31 ? 215 LYS B O 1 ATOM 2054 C CB . LYS B 2 215 ? -28.483 -21.737 23.569 1.00 101.64 ? 215 LYS B CB 1 ATOM 2055 C CG . LYS B 2 215 ? -28.868 -20.352 23.043 1.00 116.66 ? 215 LYS B CG 1 ATOM 2056 C CD . LYS B 2 215 ? -30.069 -19.761 23.779 1.00 127.55 ? 215 LYS B CD 1 ATOM 2057 C CE . LYS B 2 215 ? -30.444 -18.397 23.264 1.00 139.31 ? 215 LYS B CE 1 ATOM 2058 N NZ . LYS B 2 215 ? -31.492 -18.481 22.216 1.00 148.90 ? 215 LYS B NZ 1 ATOM 2059 N N . VAL B 2 216 ? -28.652 -23.266 26.439 1.00 99.71 ? 216 VAL B N 1 ATOM 2060 C CA . VAL B 2 216 ? -28.869 -24.509 27.178 1.00 99.98 ? 216 VAL B CA 1 ATOM 2061 C C . VAL B 2 216 ? -30.290 -25.054 26.932 1.00 103.72 ? 216 VAL B C 1 ATOM 2062 O O . VAL B 2 216 ? -31.258 -24.288 26.941 1.00 103.43 ? 216 VAL B O 1 ATOM 2063 C CB . VAL B 2 216 ? -28.456 -24.404 28.680 1.00 104.70 ? 216 VAL B CB 1 ATOM 2064 C CG1 . VAL B 2 216 ? -29.413 -23.530 29.493 1.00 105.09 ? 216 VAL B CG1 1 ATOM 2065 C CG2 . VAL B 2 216 ? -28.285 -25.781 29.319 1.00 105.36 ? 216 VAL B CG2 1 ATOM 2066 N N . ILE B 2 217 ? -30.394 -26.365 26.646 1.00 100.22 ? 217 ILE B N 1 ATOM 2067 C CA . ILE B 2 217 ? -31.662 -27.052 26.381 1.00 100.52 ? 217 ILE B CA 1 ATOM 2068 C C . ILE B 2 217 ? -31.879 -28.109 27.469 1.00 105.38 ? 217 ILE B C 1 ATOM 2069 O O . ILE B 2 217 ? -31.243 -29.167 27.442 1.00 105.27 ? 217 ILE B O 1 ATOM 2070 C CB . ILE B 2 217 ? -31.737 -27.649 24.931 1.00 103.07 ? 217 ILE B CB 1 ATOM 2071 C CG1 . ILE B 2 217 ? -31.159 -26.706 23.826 1.00 102.35 ? 217 ILE B CG1 1 ATOM 2072 C CG2 . ILE B 2 217 ? -33.143 -28.170 24.587 1.00 104.54 ? 217 ILE B CG2 1 ATOM 2073 C CD1 . ILE B 2 217 ? -31.834 -25.296 23.626 1.00 109.58 ? 217 ILE B CD1 1 ATOM 2074 N N . ASN B 2 218 ? -32.754 -27.802 28.443 1.00 102.63 ? 218 ASN B N 1 ATOM 2075 C CA . ASN B 2 218 ? -33.067 -28.699 29.556 1.00 103.87 ? 218 ASN B CA 1 ATOM 2076 C C . ASN B 2 218 ? -33.983 -29.842 29.128 1.00 108.26 ? 218 ASN B C 1 ATOM 2077 O O . ASN B 2 218 ? -34.855 -29.648 28.278 1.00 107.43 ? 218 ASN B O 1 ATOM 2078 C CB . ASN B 2 218 ? -33.656 -27.926 30.734 1.00 105.60 ? 218 ASN B CB 1 ATOM 2079 C CG . ASN B 2 218 ? -32.646 -27.053 31.436 1.00 128.70 ? 218 ASN B CG 1 ATOM 2080 O OD1 . ASN B 2 218 ? -32.311 -25.955 30.979 1.00 121.63 ? 218 ASN B OD1 1 ATOM 2081 N ND2 . ASN B 2 218 ? -32.134 -27.525 32.563 1.00 122.11 ? 218 ASN B ND2 1 ATOM 2082 N N . ASN B 2 219 ? -33.770 -31.034 29.728 1.00 105.98 ? 219 ASN B N 1 ATOM 2083 C CA . ASN B 2 219 ? -34.497 -32.287 29.476 1.00 107.04 ? 219 ASN B CA 1 ATOM 2084 C C . ASN B 2 219 ? -34.441 -32.720 27.999 1.00 109.39 ? 219 ASN B C 1 ATOM 2085 O O . ASN B 2 219 ? -35.472 -32.967 27.366 1.00 109.34 ? 219 ASN B O 1 ATOM 2086 C CB . ASN B 2 219 ? -35.926 -32.253 30.052 1.00 109.72 ? 219 ASN B CB 1 ATOM 2087 C CG . ASN B 2 219 ? -35.977 -32.095 31.553 1.00 135.14 ? 219 ASN B CG 1 ATOM 2088 O OD1 . ASN B 2 219 ? -35.458 -32.921 32.314 1.00 130.98 ? 219 ASN B OD1 1 ATOM 2089 N ND2 . ASN B 2 219 ? -36.625 -31.037 32.013 1.00 127.26 ? 219 ASN B ND2 1 ATOM 2090 N N . CYS B 2 220 ? -33.210 -32.795 27.461 1.00 104.38 ? 220 CYS B N 1 ATOM 2091 C CA . CYS B 2 220 ? -32.920 -33.174 26.077 1.00 103.04 ? 220 CYS B CA 1 ATOM 2092 C C . CYS B 2 220 ? -31.626 -33.985 26.006 1.00 106.32 ? 220 CYS B C 1 ATOM 2093 O O . CYS B 2 220 ? -30.700 -33.731 26.781 1.00 105.80 ? 220 CYS B O 1 ATOM 2094 C CB . CYS B 2 220 ? -32.850 -31.934 25.189 1.00 101.63 ? 220 CYS B CB 1 ATOM 2095 S SG . CYS B 2 220 ? -33.354 -32.215 23.471 1.00 104.87 ? 220 CYS B SG 1 ATOM 2096 N N . LYS B 2 221 ? -31.566 -34.962 25.081 1.00 102.66 ? 221 LYS B N 1 ATOM 2097 C CA . LYS B 2 221 ? -30.392 -35.816 24.874 1.00 102.42 ? 221 LYS B CA 1 ATOM 2098 C C . LYS B 2 221 ? -29.520 -35.253 23.746 1.00 103.94 ? 221 LYS B C 1 ATOM 2099 O O . LYS B 2 221 ? -30.046 -34.617 22.830 1.00 102.47 ? 221 LYS B O 1 ATOM 2100 C CB . LYS B 2 221 ? -30.820 -37.260 24.568 1.00 106.47 ? 221 LYS B CB 1 ATOM 2101 C CG . LYS B 2 221 ? -29.805 -38.306 25.015 1.00 122.18 ? 221 LYS B CG 1 ATOM 2102 C CD . LYS B 2 221 ? -30.331 -39.720 24.826 1.00 134.12 ? 221 LYS B CD 1 ATOM 2103 C CE . LYS B 2 221 ? -29.364 -40.750 25.354 1.00 146.45 ? 221 LYS B CE 1 ATOM 2104 N NZ . LYS B 2 221 ? -29.901 -42.129 25.214 1.00 157.55 ? 221 LYS B NZ 1 ATOM 2105 N N . VAL B 2 222 ? -28.188 -35.476 23.823 1.00 99.88 ? 222 VAL B N 1 ATOM 2106 C CA . VAL B 2 222 ? -27.205 -35.004 22.836 1.00 98.07 ? 222 VAL B CA 1 ATOM 2107 C C . VAL B 2 222 ? -27.442 -35.572 21.416 1.00 100.84 ? 222 VAL B C 1 ATOM 2108 O O . VAL B 2 222 ? -27.167 -34.886 20.430 1.00 99.17 ? 222 VAL B O 1 ATOM 2109 C CB . VAL B 2 222 ? -25.736 -35.137 23.346 1.00 102.27 ? 222 VAL B CB 1 ATOM 2110 C CG1 . VAL B 2 222 ? -25.216 -36.573 23.263 1.00 103.37 ? 222 VAL B CG1 1 ATOM 2111 C CG2 . VAL B 2 222 ? -24.796 -34.162 22.640 1.00 100.73 ? 222 VAL B CG2 1 ATOM 2112 N N . ASP B 2 223 ? -27.991 -36.802 21.327 1.00 98.09 ? 223 ASP B N 1 ATOM 2113 C CA . ASP B 2 223 ? -28.308 -37.483 20.068 1.00 97.59 ? 223 ASP B CA 1 ATOM 2114 C C . ASP B 2 223 ? -29.538 -36.870 19.385 1.00 99.93 ? 223 ASP B C 1 ATOM 2115 O O . ASP B 2 223 ? -29.665 -36.962 18.165 1.00 98.99 ? 223 ASP B O 1 ATOM 2116 C CB . ASP B 2 223 ? -28.527 -38.986 20.309 1.00 101.30 ? 223 ASP B CB 1 ATOM 2117 C CG . ASP B 2 223 ? -27.323 -39.698 20.892 1.00 112.56 ? 223 ASP B CG 1 ATOM 2118 O OD1 . ASP B 2 223 ? -26.598 -40.364 20.122 1.00 113.17 ? 223 ASP B OD1 1 ATOM 2119 O OD2 . ASP B 2 223 ? -27.107 -39.590 22.119 1.00 119.36 ? 223 ASP B OD2 1 ATOM 2120 N N . GLN B 2 224 ? -30.435 -36.245 20.174 1.00 95.99 ? 224 GLN B N 1 ATOM 2121 C CA . GLN B 2 224 ? -31.667 -35.604 19.698 1.00 95.19 ? 224 GLN B CA 1 ATOM 2122 C C . GLN B 2 224 ? -31.432 -34.210 19.087 1.00 96.66 ? 224 GLN B C 1 ATOM 2123 O O . GLN B 2 224 ? -32.356 -33.643 18.498 1.00 95.96 ? 224 GLN B O 1 ATOM 2124 C CB . GLN B 2 224 ? -32.693 -35.506 20.843 1.00 97.66 ? 224 GLN B CB 1 ATOM 2125 C CG . GLN B 2 224 ? -33.361 -36.823 21.207 1.00 115.24 ? 224 GLN B CG 1 ATOM 2126 C CD . GLN B 2 224 ? -34.396 -36.623 22.283 1.00 136.24 ? 224 GLN B CD 1 ATOM 2127 O OE1 . GLN B 2 224 ? -34.091 -36.609 23.480 1.00 132.57 ? 224 GLN B OE1 1 ATOM 2128 N NE2 . GLN B 2 224 ? -35.644 -36.445 21.878 1.00 128.99 ? 224 GLN B NE2 1 ATOM 2129 N N . CYS B 2 225 ? -30.208 -33.664 19.227 1.00 91.80 ? 225 CYS B N 1 ATOM 2130 C CA . CYS B 2 225 ? -29.851 -32.331 18.739 1.00 90.14 ? 225 CYS B CA 1 ATOM 2131 C C . CYS B 2 225 ? -28.873 -32.321 17.554 1.00 91.24 ? 225 CYS B C 1 ATOM 2132 O O . CYS B 2 225 ? -28.117 -33.275 17.359 1.00 90.99 ? 225 CYS B O 1 ATOM 2133 C CB . CYS B 2 225 ? -29.348 -31.463 19.887 1.00 90.58 ? 225 CYS B CB 1 ATOM 2134 S SG . CYS B 2 225 ? -30.580 -31.133 21.172 1.00 95.49 ? 225 CYS B SG 1 ATOM 2135 N N . HIS B 2 226 ? -28.893 -31.219 16.776 1.00 85.56 ? 226 HIS B N 1 ATOM 2136 C CA . HIS B 2 226 ? -28.045 -30.976 15.606 1.00 84.09 ? 226 HIS B CA 1 ATOM 2137 C C . HIS B 2 226 ? -27.491 -29.544 15.669 1.00 85.38 ? 226 HIS B C 1 ATOM 2138 O O . HIS B 2 226 ? -28.263 -28.603 15.848 1.00 84.79 ? 226 HIS B O 1 ATOM 2139 C CB . HIS B 2 226 ? -28.854 -31.199 14.312 1.00 84.94 ? 226 HIS B CB 1 ATOM 2140 C CG . HIS B 2 226 ? -28.091 -30.932 13.050 1.00 87.99 ? 226 HIS B CG 1 ATOM 2141 N ND1 . HIS B 2 226 ? -28.125 -29.693 12.435 1.00 89.49 ? 226 HIS B ND1 1 ATOM 2142 C CD2 . HIS B 2 226 ? -27.308 -31.760 12.320 1.00 89.79 ? 226 HIS B CD2 1 ATOM 2143 C CE1 . HIS B 2 226 ? -27.360 -29.803 11.362 1.00 88.85 ? 226 HIS B CE1 1 ATOM 2144 N NE2 . HIS B 2 226 ? -26.847 -31.029 11.250 1.00 89.33 ? 226 HIS B NE2 1 ATOM 2145 N N . ALA B 2 227 ? -26.159 -29.386 15.533 1.00 80.28 ? 227 ALA B N 1 ATOM 2146 C CA . ALA B 2 227 ? -25.485 -28.082 15.575 1.00 79.12 ? 227 ALA B CA 1 ATOM 2147 C C . ALA B 2 227 ? -24.584 -27.853 14.364 1.00 81.07 ? 227 ALA B C 1 ATOM 2148 O O . ALA B 2 227 ? -23.899 -28.778 13.921 1.00 80.67 ? 227 ALA B O 1 ATOM 2149 C CB . ALA B 2 227 ? -24.678 -27.945 16.856 1.00 79.96 ? 227 ALA B CB 1 ATOM 2150 N N . ALA B 2 228 ? -24.579 -26.611 13.839 1.00 76.30 ? 228 ALA B N 1 ATOM 2151 C CA . ALA B 2 228 ? -23.775 -26.212 12.681 1.00 75.74 ? 228 ALA B CA 1 ATOM 2152 C C . ALA B 2 228 ? -23.314 -24.754 12.763 1.00 78.27 ? 228 ALA B C 1 ATOM 2153 O O . ALA B 2 228 ? -24.099 -23.882 13.136 1.00 77.78 ? 228 ALA B O 1 ATOM 2154 C CB . ALA B 2 228 ? -24.554 -26.445 11.394 1.00 76.63 ? 228 ALA B CB 1 ATOM 2155 N N . VAL B 2 229 ? -22.044 -24.493 12.400 1.00 74.10 ? 229 VAL B N 1 ATOM 2156 C CA . VAL B 2 229 ? -21.454 -23.149 12.410 1.00 73.96 ? 229 VAL B CA 1 ATOM 2157 C C . VAL B 2 229 ? -21.743 -22.440 11.079 1.00 77.26 ? 229 VAL B C 1 ATOM 2158 O O . VAL B 2 229 ? -21.384 -22.956 10.018 1.00 77.11 ? 229 VAL B O 1 ATOM 2159 C CB . VAL B 2 229 ? -19.929 -23.173 12.737 1.00 78.23 ? 229 VAL B CB 1 ATOM 2160 C CG1 . VAL B 2 229 ? -19.306 -21.780 12.644 1.00 78.94 ? 229 VAL B CG1 1 ATOM 2161 C CG2 . VAL B 2 229 ? -19.656 -23.785 14.107 1.00 77.64 ? 229 VAL B CG2 1 ATOM 2162 N N . THR B 2 230 ? -22.386 -21.261 11.144 1.00 73.33 ? 230 THR B N 1 ATOM 2163 C CA . THR B 2 230 ? -22.685 -20.422 9.975 1.00 73.72 ? 230 THR B CA 1 ATOM 2164 C C . THR B 2 230 ? -21.499 -19.448 9.812 1.00 77.57 ? 230 THR B C 1 ATOM 2165 O O . THR B 2 230 ? -20.932 -19.030 10.826 1.00 77.08 ? 230 THR B O 1 ATOM 2166 C CB . THR B 2 230 ? -24.016 -19.643 10.162 1.00 81.92 ? 230 THR B CB 1 ATOM 2167 O OG1 . THR B 2 230 ? -23.820 -18.555 11.062 1.00 82.22 ? 230 THR B OG1 1 ATOM 2168 C CG2 . THR B 2 230 ? -25.172 -20.516 10.657 1.00 79.33 ? 230 THR B CG2 1 ATOM 2169 N N . ASN B 2 231 ? -21.122 -19.076 8.573 1.00 74.41 ? 231 ASN B N 1 ATOM 2170 C CA . ASN B 2 231 ? -20.004 -18.142 8.399 1.00 75.20 ? 231 ASN B CA 1 ATOM 2171 C C . ASN B 2 231 ? -20.414 -16.710 8.046 1.00 79.36 ? 231 ASN B C 1 ATOM 2172 O O . ASN B 2 231 ? -20.185 -15.811 8.859 1.00 79.54 ? 231 ASN B O 1 ATOM 2173 C CB . ASN B 2 231 ? -18.900 -18.688 7.486 1.00 76.95 ? 231 ASN B CB 1 ATOM 2174 C CG . ASN B 2 231 ? -17.523 -18.099 7.749 1.00 102.24 ? 231 ASN B CG 1 ATOM 2175 O OD1 . ASN B 2 231 ? -17.311 -17.268 8.645 1.00 96.46 ? 231 ASN B OD1 1 ATOM 2176 N ND2 . ASN B 2 231 ? -16.541 -18.536 6.978 1.00 95.56 ? 231 ASN B ND2 1 ATOM 2177 N N . HIS B 2 232 ? -20.999 -16.491 6.840 1.00 75.63 ? 232 HIS B N 1 ATOM 2178 C CA . HIS B 2 232 ? -21.469 -15.190 6.325 1.00 76.58 ? 232 HIS B CA 1 ATOM 2179 C C . HIS B 2 232 ? -20.402 -14.086 6.142 1.00 80.80 ? 232 HIS B C 1 ATOM 2180 O O . HIS B 2 232 ? -20.630 -13.149 5.375 1.00 82.26 ? 232 HIS B O 1 ATOM 2181 C CB . HIS B 2 232 ? -22.702 -14.665 7.098 1.00 76.94 ? 232 HIS B CB 1 ATOM 2182 C CG . HIS B 2 232 ? -23.866 -15.612 7.138 1.00 78.91 ? 232 HIS B CG 1 ATOM 2183 N ND1 . HIS B 2 232 ? -24.555 -15.856 8.314 1.00 79.37 ? 232 HIS B ND1 1 ATOM 2184 C CD2 . HIS B 2 232 ? -24.427 -16.343 6.146 1.00 80.52 ? 232 HIS B CD2 1 ATOM 2185 C CE1 . HIS B 2 232 ? -25.506 -16.722 8.001 1.00 77.98 ? 232 HIS B CE1 1 ATOM 2186 N NE2 . HIS B 2 232 ? -25.466 -17.046 6.709 1.00 78.94 ? 232 HIS B NE2 1 ATOM 2187 N N . LYS B 2 233 ? -19.254 -14.197 6.838 1.00 67.47 ? 233 LYS B N 1 ATOM 2188 C CA . LYS B 2 233 ? -18.142 -13.241 6.786 1.00 67.21 ? 233 LYS B CA 1 ATOM 2189 C C . LYS B 2 233 ? -17.145 -13.543 5.657 1.00 67.59 ? 233 LYS B C 1 ATOM 2190 O O . LYS B 2 233 ? -16.342 -12.673 5.313 1.00 67.58 ? 233 LYS B O 1 ATOM 2191 C CB . LYS B 2 233 ? -17.399 -13.209 8.133 1.00 70.83 ? 233 LYS B CB 1 ATOM 2192 C CG . LYS B 2 233 ? -18.141 -12.503 9.256 1.00 87.51 ? 233 LYS B CG 1 ATOM 2193 C CD . LYS B 2 233 ? -17.286 -12.475 10.516 1.00 98.63 ? 233 LYS B CD 1 ATOM 2194 C CE . LYS B 2 233 ? -17.899 -11.656 11.623 1.00 112.27 ? 233 LYS B CE 1 ATOM 2195 N NZ . LYS B 2 233 ? -17.027 -11.630 12.827 1.00 122.49 ? 233 LYS B NZ 1 ATOM 2196 N N . LYS B 2 234 ? -17.188 -14.766 5.091 1.00 61.08 ? 234 LYS B N 1 ATOM 2197 C CA . LYS B 2 234 ? -16.266 -15.197 4.034 1.00 58.53 ? 234 LYS B CA 1 ATOM 2198 C C . LYS B 2 234 ? -16.950 -15.607 2.723 1.00 60.01 ? 234 LYS B C 1 ATOM 2199 O O . LYS B 2 234 ? -18.162 -15.825 2.689 1.00 59.98 ? 234 LYS B O 1 ATOM 2200 C CB . LYS B 2 234 ? -15.359 -16.338 4.542 1.00 59.92 ? 234 LYS B CB 1 ATOM 2201 C CG . LYS B 2 234 ? -14.401 -15.952 5.670 1.00 74.58 ? 234 LYS B CG 1 ATOM 2202 C CD . LYS B 2 234 ? -13.093 -15.361 5.158 1.00 83.80 ? 234 LYS B CD 1 ATOM 2203 C CE . LYS B 2 234 ? -12.273 -14.790 6.286 1.00 95.69 ? 234 LYS B CE 1 ATOM 2204 N NZ . LYS B 2 234 ? -11.091 -14.049 5.781 1.00 104.88 ? 234 LYS B NZ 1 ATOM 2205 N N . TRP B 2 235 ? -16.151 -15.694 1.645 1.00 54.43 ? 235 TRP B N 1 ATOM 2206 C CA . TRP B 2 235 ? -16.558 -16.118 0.306 1.00 52.70 ? 235 TRP B CA 1 ATOM 2207 C C . TRP B 2 235 ? -15.894 -17.451 -0.020 1.00 54.18 ? 235 TRP B C 1 ATOM 2208 O O . TRP B 2 235 ? -14.826 -17.762 0.512 1.00 53.42 ? 235 TRP B O 1 ATOM 2209 C CB . TRP B 2 235 ? -16.180 -15.066 -0.751 1.00 51.72 ? 235 TRP B CB 1 ATOM 2210 C CG . TRP B 2 235 ? -17.318 -14.216 -1.246 1.00 53.98 ? 235 TRP B CG 1 ATOM 2211 C CD1 . TRP B 2 235 ? -18.645 -14.363 -0.964 1.00 57.67 ? 235 TRP B CD1 1 ATOM 2212 C CD2 . TRP B 2 235 ? -17.219 -13.095 -2.136 1.00 54.88 ? 235 TRP B CD2 1 ATOM 2213 N NE1 . TRP B 2 235 ? -19.377 -13.395 -1.609 1.00 58.62 ? 235 TRP B NE1 1 ATOM 2214 C CE2 . TRP B 2 235 ? -18.527 -12.602 -2.336 1.00 60.27 ? 235 TRP B CE2 1 ATOM 2215 C CE3 . TRP B 2 235 ? -16.146 -12.446 -2.772 1.00 56.23 ? 235 TRP B CE3 1 ATOM 2216 C CZ2 . TRP B 2 235 ? -18.793 -11.495 -3.150 1.00 61.26 ? 235 TRP B CZ2 1 ATOM 2217 C CZ3 . TRP B 2 235 ? -16.412 -11.355 -3.586 1.00 59.30 ? 235 TRP B CZ3 1 ATOM 2218 C CH2 . TRP B 2 235 ? -17.721 -10.888 -3.765 1.00 61.46 ? 235 TRP B CH2 1 ATOM 2219 N N . GLN B 2 236 ? -16.530 -18.237 -0.892 1.00 49.39 ? 236 GLN B N 1 ATOM 2220 C CA . GLN B 2 236 ? -16.063 -19.559 -1.296 1.00 47.63 ? 236 GLN B CA 1 ATOM 2221 C C . GLN B 2 236 ? -16.487 -19.810 -2.735 1.00 50.15 ? 236 GLN B C 1 ATOM 2222 O O . GLN B 2 236 ? -17.569 -19.369 -3.124 1.00 50.59 ? 236 GLN B O 1 ATOM 2223 C CB . GLN B 2 236 ? -16.704 -20.609 -0.378 1.00 49.34 ? 236 GLN B CB 1 ATOM 2224 C CG . GLN B 2 236 ? -15.936 -21.909 -0.275 1.00 63.36 ? 236 GLN B CG 1 ATOM 2225 C CD . GLN B 2 236 ? -16.531 -22.795 0.784 1.00 82.19 ? 236 GLN B CD 1 ATOM 2226 O OE1 . GLN B 2 236 ? -17.385 -23.644 0.511 1.00 77.73 ? 236 GLN B OE1 1 ATOM 2227 N NE2 . GLN B 2 236 ? -16.090 -22.619 2.021 1.00 74.75 ? 236 GLN B NE2 1 ATOM 2228 N N . TYR B 2 237 ? -15.656 -20.532 -3.518 1.00 44.81 ? 237 TYR B N 1 ATOM 2229 C CA . TYR B 2 237 ? -15.969 -20.869 -4.912 1.00 43.87 ? 237 TYR B CA 1 ATOM 2230 C C . TYR B 2 237 ? -17.293 -21.626 -4.989 1.00 47.45 ? 237 TYR B C 1 ATOM 2231 O O . TYR B 2 237 ? -17.553 -22.486 -4.144 1.00 47.16 ? 237 TYR B O 1 ATOM 2232 C CB . TYR B 2 237 ? -14.825 -21.681 -5.563 1.00 43.91 ? 237 TYR B CB 1 ATOM 2233 C CG . TYR B 2 237 ? -15.188 -22.354 -6.874 1.00 45.33 ? 237 TYR B CG 1 ATOM 2234 C CD1 . TYR B 2 237 ? -15.413 -21.607 -8.028 1.00 47.57 ? 237 TYR B CD1 1 ATOM 2235 C CD2 . TYR B 2 237 ? -15.299 -23.738 -6.963 1.00 45.87 ? 237 TYR B CD2 1 ATOM 2236 C CE1 . TYR B 2 237 ? -15.757 -22.220 -9.232 1.00 48.41 ? 237 TYR B CE1 1 ATOM 2237 C CE2 . TYR B 2 237 ? -15.637 -24.363 -8.163 1.00 46.86 ? 237 TYR B CE2 1 ATOM 2238 C CZ . TYR B 2 237 ? -15.865 -23.600 -9.296 1.00 54.05 ? 237 TYR B CZ 1 ATOM 2239 O OH . TYR B 2 237 ? -16.195 -24.210 -10.482 1.00 54.72 ? 237 TYR B OH 1 ATOM 2240 N N . ASN B 2 238 ? -18.136 -21.280 -5.983 1.00 44.03 ? 238 ASN B N 1 ATOM 2241 C CA . ASN B 2 238 ? -19.434 -21.912 -6.230 1.00 44.52 ? 238 ASN B CA 1 ATOM 2242 C C . ASN B 2 238 ? -19.186 -23.346 -6.735 1.00 47.55 ? 238 ASN B C 1 ATOM 2243 O O . ASN B 2 238 ? -19.299 -23.641 -7.929 1.00 47.27 ? 238 ASN B O 1 ATOM 2244 C CB . ASN B 2 238 ? -20.253 -21.070 -7.222 1.00 45.88 ? 238 ASN B CB 1 ATOM 2245 C CG . ASN B 2 238 ? -21.694 -21.489 -7.410 1.00 69.50 ? 238 ASN B CG 1 ATOM 2246 O OD1 . ASN B 2 238 ? -22.250 -22.321 -6.681 1.00 63.92 ? 238 ASN B OD1 1 ATOM 2247 N ND2 . ASN B 2 238 ? -22.349 -20.876 -8.382 1.00 62.92 ? 238 ASN B ND2 1 ATOM 2248 N N . SER B 2 239 ? -18.795 -24.217 -5.792 1.00 43.44 ? 239 SER B N 1 ATOM 2249 C CA . SER B 2 239 ? -18.415 -25.607 -6.004 1.00 42.94 ? 239 SER B CA 1 ATOM 2250 C C . SER B 2 239 ? -19.599 -26.571 -6.029 1.00 48.31 ? 239 SER B C 1 ATOM 2251 O O . SER B 2 239 ? -20.407 -26.558 -5.098 1.00 48.96 ? 239 SER B O 1 ATOM 2252 C CB . SER B 2 239 ? -17.408 -26.037 -4.939 1.00 45.79 ? 239 SER B CB 1 ATOM 2253 O OG . SER B 2 239 ? -17.196 -27.439 -4.916 1.00 54.68 ? 239 SER B OG 1 ATOM 2254 N N . PRO B 2 240 ? -19.671 -27.480 -7.032 1.00 45.17 ? 240 PRO B N 1 ATOM 2255 C CA . PRO B 2 240 ? -20.762 -28.472 -7.039 1.00 46.70 ? 240 PRO B CA 1 ATOM 2256 C C . PRO B 2 240 ? -20.540 -29.603 -6.025 1.00 51.05 ? 240 PRO B C 1 ATOM 2257 O O . PRO B 2 240 ? -21.410 -30.457 -5.859 1.00 52.38 ? 240 PRO B O 1 ATOM 2258 C CB . PRO B 2 240 ? -20.767 -28.985 -8.481 1.00 48.80 ? 240 PRO B CB 1 ATOM 2259 C CG . PRO B 2 240 ? -19.382 -28.788 -8.964 1.00 51.49 ? 240 PRO B CG 1 ATOM 2260 C CD . PRO B 2 240 ? -18.770 -27.653 -8.193 1.00 45.74 ? 240 PRO B CD 1 ATOM 2261 N N . LEU B 2 241 ? -19.375 -29.596 -5.347 1.00 46.40 ? 241 LEU B N 1 ATOM 2262 C CA . LEU B 2 241 ? -18.969 -30.583 -4.342 1.00 46.90 ? 241 LEU B CA 1 ATOM 2263 C C . LEU B 2 241 ? -19.280 -30.114 -2.908 1.00 51.65 ? 241 LEU B C 1 ATOM 2264 O O . LEU B 2 241 ? -19.073 -30.870 -1.955 1.00 52.15 ? 241 LEU B O 1 ATOM 2265 C CB . LEU B 2 241 ? -17.465 -30.901 -4.488 1.00 45.74 ? 241 LEU B CB 1 ATOM 2266 C CG . LEU B 2 241 ? -16.966 -31.360 -5.865 1.00 49.96 ? 241 LEU B CG 1 ATOM 2267 C CD1 . LEU B 2 241 ? -15.478 -31.138 -5.999 1.00 48.75 ? 241 LEU B CD1 1 ATOM 2268 C CD2 . LEU B 2 241 ? -17.310 -32.819 -6.131 1.00 54.11 ? 241 LEU B CD2 1 ATOM 2269 N N . VAL B 2 242 ? -19.762 -28.863 -2.762 1.00 48.07 ? 242 VAL B N 1 ATOM 2270 C CA . VAL B 2 242 ? -20.120 -28.226 -1.485 1.00 48.41 ? 242 VAL B CA 1 ATOM 2271 C C . VAL B 2 242 ? -21.602 -27.779 -1.591 1.00 53.78 ? 242 VAL B C 1 ATOM 2272 O O . VAL B 2 242 ? -21.974 -27.248 -2.640 1.00 53.05 ? 242 VAL B O 1 ATOM 2273 C CB . VAL B 2 242 ? -19.169 -27.030 -1.156 1.00 50.87 ? 242 VAL B CB 1 ATOM 2274 C CG1 . VAL B 2 242 ? -19.427 -26.466 0.237 1.00 51.38 ? 242 VAL B CG1 1 ATOM 2275 C CG2 . VAL B 2 242 ? -17.700 -27.422 -1.295 1.00 49.60 ? 242 VAL B CG2 1 ATOM 2276 N N . PRO B 2 243 ? -22.470 -27.984 -0.563 1.00 52.18 ? 243 PRO B N 1 ATOM 2277 C CA . PRO B 2 243 ? -23.875 -27.559 -0.709 1.00 53.60 ? 243 PRO B CA 1 ATOM 2278 C C . PRO B 2 243 ? -24.073 -26.042 -0.710 1.00 57.82 ? 243 PRO B C 1 ATOM 2279 O O . PRO B 2 243 ? -23.222 -25.304 -0.218 1.00 56.30 ? 243 PRO B O 1 ATOM 2280 C CB . PRO B 2 243 ? -24.577 -28.233 0.472 1.00 57.16 ? 243 PRO B CB 1 ATOM 2281 C CG . PRO B 2 243 ? -23.523 -28.398 1.493 1.00 60.80 ? 243 PRO B CG 1 ATOM 2282 C CD . PRO B 2 243 ? -22.234 -28.616 0.754 1.00 54.52 ? 243 PRO B CD 1 ATOM 2283 N N . ARG B 2 244 ? -25.194 -25.584 -1.287 1.00 56.24 ? 244 ARG B N 1 ATOM 2284 C CA . ARG B 2 244 ? -25.556 -24.167 -1.362 1.00 56.59 ? 244 ARG B CA 1 ATOM 2285 C C . ARG B 2 244 ? -26.068 -23.696 0.005 1.00 63.13 ? 244 ARG B C 1 ATOM 2286 O O . ARG B 2 244 ? -26.543 -24.521 0.792 1.00 63.86 ? 244 ARG B O 1 ATOM 2287 C CB . ARG B 2 244 ? -26.646 -23.972 -2.426 1.00 57.65 ? 244 ARG B CB 1 ATOM 2288 C CG . ARG B 2 244 ? -26.643 -22.599 -3.090 1.00 65.94 ? 244 ARG B CG 1 ATOM 2289 C CD . ARG B 2 244 ? -27.771 -22.459 -4.095 1.00 75.05 ? 244 ARG B CD 1 ATOM 2290 N NE . ARG B 2 244 ? -27.559 -23.291 -5.283 1.00 80.83 ? 244 ARG B NE 1 ATOM 2291 C CZ . ARG B 2 244 ? -28.484 -23.538 -6.205 1.00 95.45 ? 244 ARG B CZ 1 ATOM 2292 N NH1 . ARG B 2 244 ? -28.200 -24.306 -7.248 1.00 81.49 ? 244 ARG B NH1 1 ATOM 2293 N NH2 . ARG B 2 244 ? -29.701 -23.020 -6.091 1.00 84.74 ? 244 ARG B NH2 1 ATOM 2294 N N . ASN B 2 245 ? -25.975 -22.380 0.290 1.00 60.82 ? 245 ASN B N 1 ATOM 2295 C CA . ASN B 2 245 ? -26.467 -21.813 1.548 1.00 62.52 ? 245 ASN B CA 1 ATOM 2296 C C . ASN B 2 245 ? -27.998 -21.755 1.498 1.00 69.84 ? 245 ASN B C 1 ATOM 2297 O O . ASN B 2 245 ? -28.567 -21.166 0.574 1.00 70.07 ? 245 ASN B O 1 ATOM 2298 C CB . ASN B 2 245 ? -25.855 -20.436 1.819 1.00 63.19 ? 245 ASN B CB 1 ATOM 2299 C CG . ASN B 2 245 ? -25.962 -19.992 3.259 1.00 88.21 ? 245 ASN B CG 1 ATOM 2300 O OD1 . ASN B 2 245 ? -27.046 -19.691 3.772 1.00 84.80 ? 245 ASN B OD1 1 ATOM 2301 N ND2 . ASN B 2 245 ? -24.832 -19.919 3.942 1.00 79.43 ? 245 ASN B ND2 1 ATOM 2302 N N . ALA B 2 246 ? -28.653 -22.422 2.464 1.00 68.79 ? 246 ALA B N 1 ATOM 2303 C CA . ALA B 2 246 ? -30.110 -22.539 2.564 1.00 71.59 ? 246 ALA B CA 1 ATOM 2304 C C . ALA B 2 246 ? -30.849 -21.231 2.858 1.00 78.02 ? 246 ALA B C 1 ATOM 2305 O O . ALA B 2 246 ? -31.918 -21.011 2.286 1.00 79.39 ? 246 ALA B O 1 ATOM 2306 C CB . ALA B 2 246 ? -30.482 -23.597 3.591 1.00 73.62 ? 246 ALA B CB 1 ATOM 2307 N N . GLU B 2 247 ? -30.295 -20.380 3.752 1.00 75.05 ? 247 GLU B N 1 ATOM 2308 C CA . GLU B 2 247 ? -30.891 -19.102 4.166 1.00 76.99 ? 247 GLU B CA 1 ATOM 2309 C C . GLU B 2 247 ? -31.041 -18.109 3.003 1.00 81.58 ? 247 GLU B C 1 ATOM 2310 O O . GLU B 2 247 ? -32.149 -17.625 2.761 1.00 83.49 ? 247 GLU B O 1 ATOM 2311 C CB . GLU B 2 247 ? -30.111 -18.487 5.345 1.00 78.08 ? 247 GLU B CB 1 ATOM 2312 C CG . GLU B 2 247 ? -30.878 -17.413 6.102 1.00 91.45 ? 247 GLU B CG 1 ATOM 2313 C CD . GLU B 2 247 ? -30.201 -16.888 7.353 1.00 112.46 ? 247 GLU B CD 1 ATOM 2314 O OE1 . GLU B 2 247 ? -30.821 -16.971 8.438 1.00 108.68 ? 247 GLU B OE1 1 ATOM 2315 O OE2 . GLU B 2 247 ? -29.055 -16.391 7.254 1.00 104.93 ? 247 GLU B OE2 1 ATOM 2316 N N . LEU B 2 248 ? -29.939 -17.819 2.288 1.00 76.32 ? 248 LEU B N 1 ATOM 2317 C CA . LEU B 2 248 ? -29.940 -16.904 1.144 1.00 76.50 ? 248 LEU B CA 1 ATOM 2318 C C . LEU B 2 248 ? -30.379 -17.600 -0.148 1.00 80.44 ? 248 LEU B C 1 ATOM 2319 O O . LEU B 2 248 ? -30.211 -18.814 -0.282 1.00 79.03 ? 248 LEU B O 1 ATOM 2320 C CB . LEU B 2 248 ? -28.580 -16.190 0.976 1.00 74.85 ? 248 LEU B CB 1 ATOM 2321 C CG . LEU B 2 248 ? -27.312 -17.050 0.994 1.00 77.00 ? 248 LEU B CG 1 ATOM 2322 C CD1 . LEU B 2 248 ? -26.796 -17.301 -0.412 1.00 75.74 ? 248 LEU B CD1 1 ATOM 2323 C CD2 . LEU B 2 248 ? -26.230 -16.399 1.835 1.00 78.90 ? 248 LEU B CD2 1 ATOM 2324 N N . GLY B 2 249 ? -30.946 -16.824 -1.071 1.00 78.43 ? 249 GLY B N 1 ATOM 2325 C CA . GLY B 2 249 ? -31.434 -17.315 -2.355 1.00 78.62 ? 249 GLY B CA 1 ATOM 2326 C C . GLY B 2 249 ? -30.340 -17.571 -3.371 1.00 79.96 ? 249 GLY B C 1 ATOM 2327 O O . GLY B 2 249 ? -29.423 -18.360 -3.120 1.00 77.37 ? 249 GLY B O 1 ATOM 2328 N N . ASP B 2 250 ? -30.440 -16.901 -4.535 1.00 76.94 ? 250 ASP B N 1 ATOM 2329 C CA . ASP B 2 250 ? -29.488 -17.019 -5.644 1.00 74.78 ? 250 ASP B CA 1 ATOM 2330 C C . ASP B 2 250 ? -28.379 -15.951 -5.586 1.00 76.54 ? 250 ASP B C 1 ATOM 2331 O O . ASP B 2 250 ? -27.955 -15.439 -6.627 1.00 76.04 ? 250 ASP B O 1 ATOM 2332 C CB . ASP B 2 250 ? -30.233 -16.990 -6.991 1.00 78.45 ? 250 ASP B CB 1 ATOM 2333 C CG . ASP B 2 250 ? -30.761 -18.340 -7.419 1.00 89.25 ? 250 ASP B CG 1 ATOM 2334 O OD1 . ASP B 2 250 ? -30.046 -19.048 -8.157 1.00 88.06 ? 250 ASP B OD1 1 ATOM 2335 O OD2 . ASP B 2 250 ? -31.889 -18.692 -7.011 1.00 97.53 ? 250 ASP B OD2 1 ATOM 2336 N N . ARG B 2 251 ? -27.895 -15.640 -4.366 1.00 71.61 ? 251 ARG B N 1 ATOM 2337 C CA . ARG B 2 251 ? -26.844 -14.647 -4.128 1.00 70.32 ? 251 ARG B CA 1 ATOM 2338 C C . ARG B 2 251 ? -25.485 -15.165 -4.594 1.00 70.88 ? 251 ARG B C 1 ATOM 2339 O O . ARG B 2 251 ? -24.993 -16.177 -4.085 1.00 68.71 ? 251 ARG B O 1 ATOM 2340 C CB . ARG B 2 251 ? -26.804 -14.213 -2.652 1.00 70.58 ? 251 ARG B CB 1 ATOM 2341 C CG . ARG B 2 251 ? -28.063 -13.491 -2.184 1.00 81.93 ? 251 ARG B CG 1 ATOM 2342 C CD . ARG B 2 251 ? -27.908 -12.914 -0.790 1.00 89.93 ? 251 ARG B CD 1 ATOM 2343 N NE . ARG B 2 251 ? -27.069 -11.715 -0.775 1.00 96.67 ? 251 ARG B NE 1 ATOM 2344 C CZ . ARG B 2 251 ? -27.528 -10.475 -0.907 1.00 112.15 ? 251 ARG B CZ 1 ATOM 2345 N NH1 . ARG B 2 251 ? -28.827 -10.253 -1.068 1.00 101.94 ? 251 ARG B NH1 1 ATOM 2346 N NH2 . ARG B 2 251 ? -26.692 -9.447 -0.880 1.00 98.72 ? 251 ARG B NH2 1 ATOM 2347 N N . LYS B 2 252 ? -24.900 -14.479 -5.589 1.00 66.87 ? 252 LYS B N 1 ATOM 2348 C CA . LYS B 2 252 ? -23.616 -14.837 -6.193 1.00 64.24 ? 252 LYS B CA 1 ATOM 2349 C C . LYS B 2 252 ? -22.649 -13.659 -6.238 1.00 67.55 ? 252 LYS B C 1 ATOM 2350 O O . LYS B 2 252 ? -23.069 -12.503 -6.255 1.00 69.29 ? 252 LYS B O 1 ATOM 2351 C CB . LYS B 2 252 ? -23.824 -15.367 -7.625 1.00 66.63 ? 252 LYS B CB 1 ATOM 2352 C CG . LYS B 2 252 ? -24.426 -16.761 -7.716 1.00 80.71 ? 252 LYS B CG 1 ATOM 2353 C CD . LYS B 2 252 ? -24.686 -17.142 -9.166 1.00 91.20 ? 252 LYS B CD 1 ATOM 2354 C CE . LYS B 2 252 ? -25.336 -18.495 -9.296 1.00 102.31 ? 252 LYS B CE 1 ATOM 2355 N NZ . LYS B 2 252 ? -25.617 -18.832 -10.715 1.00 112.37 ? 252 LYS B NZ 1 ATOM 2356 N N . GLY B 2 253 ? -21.365 -13.988 -6.280 1.00 61.61 ? 253 GLY B N 1 ATOM 2357 C CA . GLY B 2 253 ? -20.243 -13.068 -6.412 1.00 61.19 ? 253 GLY B CA 1 ATOM 2358 C C . GLY B 2 253 ? -19.314 -13.591 -7.490 1.00 62.61 ? 253 GLY B C 1 ATOM 2359 O O . GLY B 2 253 ? -19.449 -14.746 -7.904 1.00 60.68 ? 253 GLY B O 1 ATOM 2360 N N . LYS B 2 254 ? -18.374 -12.760 -7.967 1.00 59.11 ? 254 LYS B N 1 ATOM 2361 C CA . LYS B 2 254 ? -17.411 -13.176 -8.996 1.00 57.43 ? 254 LYS B CA 1 ATOM 2362 C C . LYS B 2 254 ? -16.031 -12.557 -8.811 1.00 60.95 ? 254 LYS B C 1 ATOM 2363 O O . LYS B 2 254 ? -15.928 -11.399 -8.409 1.00 62.23 ? 254 LYS B O 1 ATOM 2364 C CB . LYS B 2 254 ? -17.954 -13.002 -10.433 1.00 60.77 ? 254 LYS B CB 1 ATOM 2365 C CG . LYS B 2 254 ? -18.329 -11.578 -10.832 1.00 76.32 ? 254 LYS B CG 1 ATOM 2366 C CD . LYS B 2 254 ? -18.839 -11.509 -12.260 1.00 86.91 ? 254 LYS B CD 1 ATOM 2367 C CE . LYS B 2 254 ? -19.134 -10.092 -12.685 1.00 100.21 ? 254 LYS B CE 1 ATOM 2368 N NZ . LYS B 2 254 ? -19.687 -10.036 -14.062 1.00 110.74 ? 254 LYS B NZ 1 ATOM 2369 N N . ILE B 2 255 ? -14.971 -13.346 -9.059 1.00 55.66 ? 255 ILE B N 1 ATOM 2370 C CA . ILE B 2 255 ? -13.578 -12.907 -8.904 1.00 55.48 ? 255 ILE B CA 1 ATOM 2371 C C . ILE B 2 255 ? -12.722 -13.301 -10.121 1.00 58.90 ? 255 ILE B C 1 ATOM 2372 O O . ILE B 2 255 ? -12.946 -14.366 -10.700 1.00 57.11 ? 255 ILE B O 1 ATOM 2373 C CB . ILE B 2 255 ? -12.950 -13.378 -7.547 1.00 57.56 ? 255 ILE B CB 1 ATOM 2374 C CG1 . ILE B 2 255 ? -12.779 -14.918 -7.474 1.00 55.78 ? 255 ILE B CG1 1 ATOM 2375 C CG2 . ILE B 2 255 ? -13.732 -12.843 -6.327 1.00 59.38 ? 255 ILE B CG2 1 ATOM 2376 C CD1 . ILE B 2 255 ? -11.594 -15.397 -6.635 1.00 61.80 ? 255 ILE B CD1 1 ATOM 2377 N N . HIS B 2 256 ? -11.748 -12.449 -10.504 1.00 56.86 ? 256 HIS B N 1 ATOM 2378 C CA . HIS B 2 256 ? -10.842 -12.739 -11.622 1.00 56.36 ? 256 HIS B CA 1 ATOM 2379 C C . HIS B 2 256 ? -9.863 -13.849 -11.240 1.00 58.55 ? 256 HIS B C 1 ATOM 2380 O O . HIS B 2 256 ? -9.505 -13.974 -10.066 1.00 57.78 ? 256 HIS B O 1 ATOM 2381 C CB . HIS B 2 256 ? -10.084 -11.483 -12.080 1.00 59.25 ? 256 HIS B CB 1 ATOM 2382 C CG . HIS B 2 256 ? -10.837 -10.621 -13.048 1.00 64.63 ? 256 HIS B CG 1 ATOM 2383 N ND1 . HIS B 2 256 ? -11.487 -11.158 -14.148 1.00 66.00 ? 256 HIS B ND1 1 ATOM 2384 C CD2 . HIS B 2 256 ? -10.976 -9.276 -13.073 1.00 69.00 ? 256 HIS B CD2 1 ATOM 2385 C CE1 . HIS B 2 256 ? -12.023 -10.130 -14.784 1.00 67.78 ? 256 HIS B CE1 1 ATOM 2386 N NE2 . HIS B 2 256 ? -11.739 -8.977 -14.177 1.00 70.04 ? 256 HIS B NE2 1 ATOM 2387 N N . ILE B 2 257 ? -9.452 -14.667 -12.225 1.00 54.36 ? 257 ILE B N 1 ATOM 2388 C CA . ILE B 2 257 ? -8.546 -15.798 -11.994 1.00 52.73 ? 257 ILE B CA 1 ATOM 2389 C C . ILE B 2 257 ? -7.211 -15.707 -12.752 1.00 57.24 ? 257 ILE B C 1 ATOM 2390 O O . ILE B 2 257 ? -7.190 -15.177 -13.868 1.00 57.84 ? 257 ILE B O 1 ATOM 2391 C CB . ILE B 2 257 ? -9.250 -17.175 -12.166 1.00 54.31 ? 257 ILE B CB 1 ATOM 2392 C CG1 . ILE B 2 257 ? -9.797 -17.382 -13.596 1.00 54.93 ? 257 ILE B CG1 1 ATOM 2393 C CG2 . ILE B 2 257 ? -10.327 -17.361 -11.103 1.00 54.71 ? 257 ILE B CG2 1 ATOM 2394 C CD1 . ILE B 2 257 ? -9.892 -18.838 -14.063 1.00 61.30 ? 257 ILE B CD1 1 ATOM 2395 N N . PRO B 2 258 ? -6.092 -16.232 -12.185 1.00 53.43 ? 258 PRO B N 1 ATOM 2396 C CA . PRO B 2 258 ? -4.812 -16.162 -12.908 1.00 53.83 ? 258 PRO B CA 1 ATOM 2397 C C . PRO B 2 258 ? -4.703 -17.201 -14.027 1.00 56.87 ? 258 PRO B C 1 ATOM 2398 O O . PRO B 2 258 ? -5.568 -18.070 -14.159 1.00 55.30 ? 258 PRO B O 1 ATOM 2399 C CB . PRO B 2 258 ? -3.777 -16.406 -11.804 1.00 55.56 ? 258 PRO B CB 1 ATOM 2400 C CG . PRO B 2 258 ? -4.474 -17.282 -10.835 1.00 58.73 ? 258 PRO B CG 1 ATOM 2401 C CD . PRO B 2 258 ? -5.927 -16.895 -10.871 1.00 54.20 ? 258 PRO B CD 1 ATOM 2402 N N . PHE B 2 259 ? -3.619 -17.104 -14.817 1.00 54.22 ? 259 PHE B N 1 ATOM 2403 C CA . PHE B 2 259 ? -3.253 -17.999 -15.920 1.00 53.62 ? 259 PHE B CA 1 ATOM 2404 C C . PHE B 2 259 ? -4.307 -18.182 -17.047 1.00 57.69 ? 259 PHE B C 1 ATOM 2405 O O . PHE B 2 259 ? -4.697 -19.323 -17.316 1.00 56.17 ? 259 PHE B O 1 ATOM 2406 C CB . PHE B 2 259 ? -2.728 -19.358 -15.394 1.00 54.19 ? 259 PHE B CB 1 ATOM 2407 C CG . PHE B 2 259 ? -2.001 -19.358 -14.066 1.00 55.72 ? 259 PHE B CG 1 ATOM 2408 C CD1 . PHE B 2 259 ? -0.766 -18.734 -13.928 1.00 59.97 ? 259 PHE B CD1 1 ATOM 2409 C CD2 . PHE B 2 259 ? -2.524 -20.033 -12.969 1.00 56.89 ? 259 PHE B CD2 1 ATOM 2410 C CE1 . PHE B 2 259 ? -0.087 -18.752 -12.707 1.00 61.23 ? 259 PHE B CE1 1 ATOM 2411 C CE2 . PHE B 2 259 ? -1.841 -20.054 -11.749 1.00 60.00 ? 259 PHE B CE2 1 ATOM 2412 C CZ . PHE B 2 259 ? -0.626 -19.417 -11.628 1.00 59.32 ? 259 PHE B CZ 1 ATOM 2413 N N . PRO B 2 260 ? -4.754 -17.113 -17.759 1.00 55.96 ? 260 PRO B N 1 ATOM 2414 C CA . PRO B 2 260 ? -5.723 -17.325 -18.853 1.00 56.06 ? 260 PRO B CA 1 ATOM 2415 C C . PRO B 2 260 ? -5.076 -17.906 -20.116 1.00 59.97 ? 260 PRO B C 1 ATOM 2416 O O . PRO B 2 260 ? -3.863 -17.787 -20.297 1.00 59.94 ? 260 PRO B O 1 ATOM 2417 C CB . PRO B 2 260 ? -6.310 -15.925 -19.102 1.00 59.62 ? 260 PRO B CB 1 ATOM 2418 C CG . PRO B 2 260 ? -5.673 -15.011 -18.083 1.00 64.72 ? 260 PRO B CG 1 ATOM 2419 C CD . PRO B 2 260 ? -4.421 -15.682 -17.625 1.00 59.33 ? 260 PRO B CD 1 ATOM 2420 N N . LEU B 2 261 ? -5.885 -18.544 -20.982 1.00 56.38 ? 261 LEU B N 1 ATOM 2421 C CA . LEU B 2 261 ? -5.406 -19.147 -22.229 1.00 56.63 ? 261 LEU B CA 1 ATOM 2422 C C . LEU B 2 261 ? -5.174 -18.079 -23.307 1.00 62.72 ? 261 LEU B C 1 ATOM 2423 O O . LEU B 2 261 ? -6.000 -17.178 -23.463 1.00 63.50 ? 261 LEU B O 1 ATOM 2424 C CB . LEU B 2 261 ? -6.382 -20.236 -22.725 1.00 56.23 ? 261 LEU B CB 1 ATOM 2425 C CG . LEU B 2 261 ? -5.908 -21.129 -23.888 1.00 61.29 ? 261 LEU B CG 1 ATOM 2426 C CD1 . LEU B 2 261 ? -4.950 -22.202 -23.415 1.00 60.40 ? 261 LEU B CD1 1 ATOM 2427 C CD2 . LEU B 2 261 ? -7.073 -21.795 -24.564 1.00 64.11 ? 261 LEU B CD2 1 ATOM 2428 N N . ALA B 2 262 ? -4.043 -18.185 -24.043 1.00 60.05 ? 262 ALA B N 1 ATOM 2429 C CA . ALA B 2 262 ? -3.641 -17.264 -25.116 1.00 62.08 ? 262 ALA B CA 1 ATOM 2430 C C . ALA B 2 262 ? -2.718 -17.940 -26.144 1.00 66.62 ? 262 ALA B C 1 ATOM 2431 O O . ALA B 2 262 ? -2.013 -18.892 -25.799 1.00 64.93 ? 262 ALA B O 1 ATOM 2432 C CB . ALA B 2 262 ? -2.949 -16.044 -24.524 1.00 63.89 ? 262 ALA B CB 1 ATOM 2433 N N . ASN B 2 263 ? -2.714 -17.435 -27.400 1.00 65.44 ? 263 ASN B N 1 ATOM 2434 C CA . ASN B 2 263 ? -1.874 -17.963 -28.482 1.00 66.28 ? 263 ASN B CA 1 ATOM 2435 C C . ASN B 2 263 ? -0.429 -17.506 -28.318 1.00 71.12 ? 263 ASN B C 1 ATOM 2436 O O . ASN B 2 263 ? -0.174 -16.316 -28.123 1.00 72.02 ? 263 ASN B O 1 ATOM 2437 C CB . ASN B 2 263 ? -2.368 -17.512 -29.859 1.00 69.52 ? 263 ASN B CB 1 ATOM 2438 C CG . ASN B 2 263 ? -3.848 -17.608 -30.105 1.00 93.36 ? 263 ASN B CG 1 ATOM 2439 O OD1 . ASN B 2 263 ? -4.414 -18.696 -30.261 1.00 86.32 ? 263 ASN B OD1 1 ATOM 2440 N ND2 . ASN B 2 263 ? -4.494 -16.453 -30.193 1.00 87.55 ? 263 ASN B ND2 1 ATOM 2441 N N . VAL B 2 264 ? 0.513 -18.455 -28.419 1.00 67.36 ? 264 VAL B N 1 ATOM 2442 C CA . VAL B 2 264 ? 1.962 -18.230 -28.327 1.00 68.15 ? 264 VAL B CA 1 ATOM 2443 C C . VAL B 2 264 ? 2.678 -18.992 -29.461 1.00 73.39 ? 264 VAL B C 1 ATOM 2444 O O . VAL B 2 264 ? 2.019 -19.461 -30.393 1.00 73.18 ? 264 VAL B O 1 ATOM 2445 C CB . VAL B 2 264 ? 2.550 -18.580 -26.925 1.00 70.48 ? 264 VAL B CB 1 ATOM 2446 C CG1 . VAL B 2 264 ? 2.077 -17.604 -25.848 1.00 69.95 ? 264 VAL B CG1 1 ATOM 2447 C CG2 . VAL B 2 264 ? 2.260 -20.027 -26.531 1.00 68.30 ? 264 VAL B CG2 1 ATOM 2448 N N . THR B 2 265 ? 4.016 -19.112 -29.378 1.00 71.12 ? 265 THR B N 1 ATOM 2449 C CA . THR B 2 265 ? 4.828 -19.841 -30.352 1.00 72.24 ? 265 THR B CA 1 ATOM 2450 C C . THR B 2 265 ? 5.566 -21.010 -29.696 1.00 75.31 ? 265 THR B C 1 ATOM 2451 O O . THR B 2 265 ? 6.126 -20.857 -28.608 1.00 74.33 ? 265 THR B O 1 ATOM 2452 C CB . THR B 2 265 ? 5.712 -18.897 -31.197 1.00 83.34 ? 265 THR B CB 1 ATOM 2453 O OG1 . THR B 2 265 ? 6.417 -19.665 -32.174 1.00 84.41 ? 265 THR B OG1 1 ATOM 2454 C CG2 . THR B 2 265 ? 6.701 -18.073 -30.360 1.00 82.89 ? 265 THR B CG2 1 ATOM 2455 N N . CYS B 2 266 ? 5.536 -22.180 -30.351 1.00 72.10 ? 266 CYS B N 1 ATOM 2456 C CA . CYS B 2 266 ? 6.203 -23.397 -29.886 1.00 71.45 ? 266 CYS B CA 1 ATOM 2457 C C . CYS B 2 266 ? 7.372 -23.727 -30.819 1.00 78.06 ? 266 CYS B C 1 ATOM 2458 O O . CYS B 2 266 ? 7.172 -23.827 -32.032 1.00 78.84 ? 266 CYS B O 1 ATOM 2459 C CB . CYS B 2 266 ? 5.213 -24.558 -29.791 1.00 70.22 ? 266 CYS B CB 1 ATOM 2460 S SG . CYS B 2 266 ? 4.147 -24.519 -28.323 1.00 71.58 ? 266 CYS B SG 1 ATOM 2461 N N . ARG B 2 267 ? 8.594 -23.864 -30.260 1.00 75.81 ? 267 ARG B N 1 ATOM 2462 C CA . ARG B 2 267 ? 9.794 -24.195 -31.041 1.00 78.06 ? 267 ARG B CA 1 ATOM 2463 C C . ARG B 2 267 ? 9.837 -25.698 -31.295 1.00 82.48 ? 267 ARG B C 1 ATOM 2464 O O . ARG B 2 267 ? 9.798 -26.484 -30.346 1.00 80.73 ? 267 ARG B O 1 ATOM 2465 C CB . ARG B 2 267 ? 11.094 -23.735 -30.338 1.00 79.48 ? 267 ARG B CB 1 ATOM 2466 C CG . ARG B 2 267 ? 11.227 -22.228 -30.104 1.00 90.89 ? 267 ARG B CG 1 ATOM 2467 C CD . ARG B 2 267 ? 11.665 -21.451 -31.338 1.00 103.73 ? 267 ARG B CD 1 ATOM 2468 N NE . ARG B 2 267 ? 12.234 -20.146 -30.990 1.00 114.07 ? 267 ARG B NE 1 ATOM 2469 C CZ . ARG B 2 267 ? 11.529 -19.030 -30.819 1.00 128.31 ? 267 ARG B CZ 1 ATOM 2470 N NH1 . ARG B 2 267 ? 10.208 -19.042 -30.954 1.00 113.99 ? 267 ARG B NH1 1 ATOM 2471 N NH2 . ARG B 2 267 ? 12.139 -17.896 -30.503 1.00 117.02 ? 267 ARG B NH2 1 ATOM 2472 N N . VAL B 2 268 ? 9.887 -26.096 -32.576 1.00 81.28 ? 268 VAL B N 1 ATOM 2473 C CA . VAL B 2 268 ? 9.937 -27.505 -32.980 1.00 81.92 ? 268 VAL B CA 1 ATOM 2474 C C . VAL B 2 268 ? 11.201 -27.807 -33.802 1.00 89.39 ? 268 VAL B C 1 ATOM 2475 O O . VAL B 2 268 ? 11.543 -27.018 -34.685 1.00 90.47 ? 268 VAL B O 1 ATOM 2476 C CB . VAL B 2 268 ? 8.639 -28.025 -33.668 1.00 85.32 ? 268 VAL B CB 1 ATOM 2477 C CG1 . VAL B 2 268 ? 7.461 -28.046 -32.698 1.00 82.67 ? 268 VAL B CG1 1 ATOM 2478 C CG2 . VAL B 2 268 ? 8.297 -27.232 -34.928 1.00 86.53 ? 268 VAL B CG2 1 ATOM 2479 N N . PRO B 2 269 ? 11.919 -28.923 -33.542 1.00 74.18 ? 269 PRO B N 1 ATOM 2480 C CA . PRO B 2 269 ? 13.120 -29.203 -34.342 1.00 74.84 ? 269 PRO B CA 1 ATOM 2481 C C . PRO B 2 269 ? 12.792 -29.758 -35.725 1.00 78.79 ? 269 PRO B C 1 ATOM 2482 O O . PRO B 2 269 ? 11.757 -30.403 -35.911 1.00 77.53 ? 269 PRO B O 1 ATOM 2483 C CB . PRO B 2 269 ? 13.888 -30.212 -33.489 1.00 77.75 ? 269 PRO B CB 1 ATOM 2484 C CG . PRO B 2 269 ? 12.846 -30.911 -32.700 1.00 81.91 ? 269 PRO B CG 1 ATOM 2485 C CD . PRO B 2 269 ? 11.678 -29.978 -32.534 1.00 76.44 ? 269 PRO B CD 1 ATOM 2486 N N . LYS B 2 270 ? 13.674 -29.487 -36.696 1.00 76.47 ? 270 LYS B N 1 ATOM 2487 C CA . LYS B 2 270 ? 13.537 -29.980 -38.063 1.00 76.01 ? 270 LYS B CA 1 ATOM 2488 C C . LYS B 2 270 ? 14.483 -31.165 -38.224 1.00 81.45 ? 270 LYS B C 1 ATOM 2489 O O . LYS B 2 270 ? 15.687 -31.023 -37.985 1.00 82.03 ? 270 LYS B O 1 ATOM 2490 C CB . LYS B 2 270 ? 13.847 -28.875 -39.089 1.00 78.67 ? 270 LYS B CB 1 ATOM 2491 C CG . LYS B 2 270 ? 12.713 -27.878 -39.288 1.00 92.43 ? 270 LYS B CG 1 ATOM 2492 C CD . LYS B 2 270 ? 13.052 -26.860 -40.370 1.00 103.25 ? 270 LYS B CD 1 ATOM 2493 C CE . LYS B 2 270 ? 11.913 -25.906 -40.637 1.00 113.90 ? 270 LYS B CE 1 ATOM 2494 N NZ . LYS B 2 270 ? 12.241 -24.947 -41.724 1.00 123.57 ? 270 LYS B NZ 1 ATOM 2495 N N . ALA B 2 271 ? 13.928 -32.344 -38.574 1.00 78.37 ? 271 ALA B N 1 ATOM 2496 C CA . ALA B 2 271 ? 14.685 -33.585 -38.769 1.00 79.08 ? 271 ALA B CA 1 ATOM 2497 C C . ALA B 2 271 ? 15.716 -33.410 -39.884 1.00 84.30 ? 271 ALA B C 1 ATOM 2498 O O . ALA B 2 271 ? 15.430 -32.733 -40.875 1.00 83.41 ? 271 ALA B O 1 ATOM 2499 C CB . ALA B 2 271 ? 13.739 -34.730 -39.099 1.00 79.17 ? 271 ALA B CB 1 ATOM 2500 N N . ARG B 2 272 ? 16.929 -33.970 -39.699 1.00 82.65 ? 272 ARG B N 1 ATOM 2501 C CA . ARG B 2 272 ? 18.012 -33.850 -40.680 1.00 83.30 ? 272 ARG B CA 1 ATOM 2502 C C . ARG B 2 272 ? 17.643 -34.415 -42.050 1.00 87.45 ? 272 ARG B C 1 ATOM 2503 O O . ARG B 2 272 ? 17.002 -35.466 -42.131 1.00 86.39 ? 272 ARG B O 1 ATOM 2504 C CB . ARG B 2 272 ? 19.360 -34.381 -40.147 1.00 84.83 ? 272 ARG B CB 1 ATOM 2505 C CG . ARG B 2 272 ? 19.400 -35.861 -39.776 1.00 95.59 ? 272 ARG B CG 1 ATOM 2506 C CD . ARG B 2 272 ? 20.784 -36.249 -39.296 1.00 107.29 ? 272 ARG B CD 1 ATOM 2507 N NE . ARG B 2 272 ? 20.935 -37.698 -39.158 1.00 117.27 ? 272 ARG B NE 1 ATOM 2508 C CZ . ARG B 2 272 ? 22.084 -38.312 -38.892 1.00 134.05 ? 272 ARG B CZ 1 ATOM 2509 N NH1 . ARG B 2 272 ? 23.199 -37.609 -38.729 1.00 122.88 ? 272 ARG B NH1 1 ATOM 2510 N NH2 . ARG B 2 272 ? 22.128 -39.633 -38.788 1.00 122.11 ? 272 ARG B NH2 1 ATOM 2511 N N . ASN B 2 273 ? 17.990 -33.666 -43.116 1.00 85.16 ? 273 ASN B N 1 ATOM 2512 C CA . ASN B 2 273 ? 17.699 -34.011 -44.508 1.00 84.99 ? 273 ASN B CA 1 ATOM 2513 C C . ASN B 2 273 ? 18.285 -35.375 -44.892 1.00 90.06 ? 273 ASN B C 1 ATOM 2514 O O . ASN B 2 273 ? 19.490 -35.585 -44.731 1.00 90.36 ? 273 ASN B O 1 ATOM 2515 C CB . ASN B 2 273 ? 18.166 -32.906 -45.464 1.00 86.61 ? 273 ASN B CB 1 ATOM 2516 C CG . ASN B 2 273 ? 17.431 -31.593 -45.305 1.00 110.23 ? 273 ASN B CG 1 ATOM 2517 O OD1 . ASN B 2 273 ? 16.195 -31.532 -45.279 1.00 103.75 ? 273 ASN B OD1 1 ATOM 2518 N ND2 . ASN B 2 273 ? 18.181 -30.504 -45.235 1.00 103.48 ? 273 ASN B ND2 1 ATOM 2519 N N . PRO B 2 274 ? 17.435 -36.331 -45.338 1.00 86.92 ? 274 PRO B N 1 ATOM 2520 C CA . PRO B 2 274 ? 17.950 -37.668 -45.680 1.00 87.28 ? 274 PRO B CA 1 ATOM 2521 C C . PRO B 2 274 ? 18.819 -37.699 -46.936 1.00 92.70 ? 274 PRO B C 1 ATOM 2522 O O . PRO B 2 274 ? 18.675 -36.835 -47.804 1.00 92.29 ? 274 PRO B O 1 ATOM 2523 C CB . PRO B 2 274 ? 16.677 -38.497 -45.859 1.00 88.27 ? 274 PRO B CB 1 ATOM 2524 C CG . PRO B 2 274 ? 15.644 -37.517 -46.271 1.00 92.04 ? 274 PRO B CG 1 ATOM 2525 C CD . PRO B 2 274 ? 15.973 -36.246 -45.547 1.00 87.78 ? 274 PRO B CD 1 ATOM 2526 N N . THR B 2 275 ? 19.719 -38.700 -47.025 1.00 90.66 ? 275 THR B N 1 ATOM 2527 C CA . THR B 2 275 ? 20.600 -38.901 -48.180 1.00 91.35 ? 275 THR B CA 1 ATOM 2528 C C . THR B 2 275 ? 19.743 -39.392 -49.343 1.00 95.69 ? 275 THR B C 1 ATOM 2529 O O . THR B 2 275 ? 19.155 -40.475 -49.270 1.00 94.87 ? 275 THR B O 1 ATOM 2530 C CB . THR B 2 275 ? 21.788 -39.819 -47.840 1.00 100.52 ? 275 THR B CB 1 ATOM 2531 O OG1 . THR B 2 275 ? 21.319 -40.973 -47.144 1.00 100.20 ? 275 THR B OG1 1 ATOM 2532 C CG2 . THR B 2 275 ? 22.858 -39.112 -47.018 1.00 100.13 ? 275 THR B CG2 1 ATOM 2533 N N . VAL B 2 276 ? 19.615 -38.550 -50.380 1.00 93.22 ? 276 VAL B N 1 ATOM 2534 C CA . VAL B 2 276 ? 18.767 -38.809 -51.541 1.00 93.17 ? 276 VAL B CA 1 ATOM 2535 C C . VAL B 2 276 ? 19.484 -39.418 -52.763 1.00 98.25 ? 276 VAL B C 1 ATOM 2536 O O . VAL B 2 276 ? 20.528 -38.921 -53.190 1.00 98.57 ? 276 VAL B O 1 ATOM 2537 C CB . VAL B 2 276 ? 17.847 -37.591 -51.861 1.00 97.18 ? 276 VAL B CB 1 ATOM 2538 C CG1 . VAL B 2 276 ? 18.624 -36.402 -52.432 1.00 97.99 ? 276 VAL B CG1 1 ATOM 2539 C CG2 . VAL B 2 276 ? 16.682 -37.978 -52.762 1.00 96.79 ? 276 VAL B CG2 1 ATOM 2540 N N . THR B 2 277 ? 18.916 -40.518 -53.292 1.00 95.04 ? 277 THR B N 1 ATOM 2541 C CA . THR B 2 277 ? 19.392 -41.241 -54.478 1.00 95.51 ? 277 THR B CA 1 ATOM 2542 C C . THR B 2 277 ? 18.230 -41.397 -55.461 1.00 99.99 ? 277 THR B C 1 ATOM 2543 O O . THR B 2 277 ? 17.113 -41.716 -55.045 1.00 99.05 ? 277 THR B O 1 ATOM 2544 C CB . THR B 2 277 ? 20.044 -42.584 -54.107 1.00 103.57 ? 277 THR B CB 1 ATOM 2545 O OG1 . THR B 2 277 ? 19.189 -43.310 -53.223 1.00 102.72 ? 277 THR B OG1 1 ATOM 2546 C CG2 . THR B 2 277 ? 21.424 -42.417 -53.485 1.00 102.62 ? 277 THR B CG2 1 ATOM 2547 N N . TYR B 2 278 ? 18.488 -41.150 -56.758 1.00 97.81 ? 278 TYR B N 1 ATOM 2548 C CA . TYR B 2 278 ? 17.461 -41.205 -57.803 1.00 98.25 ? 278 TYR B CA 1 ATOM 2549 C C . TYR B 2 278 ? 17.555 -42.422 -58.729 1.00 102.67 ? 278 TYR B C 1 ATOM 2550 O O . TYR B 2 278 ? 18.633 -42.991 -58.911 1.00 102.32 ? 278 TYR B O 1 ATOM 2551 C CB . TYR B 2 278 ? 17.443 -39.901 -58.628 1.00 100.60 ? 278 TYR B CB 1 ATOM 2552 C CG . TYR B 2 278 ? 17.455 -38.629 -57.806 1.00 102.41 ? 278 TYR B CG 1 ATOM 2553 C CD1 . TYR B 2 278 ? 18.584 -37.816 -57.760 1.00 105.11 ? 278 TYR B CD1 1 ATOM 2554 C CD2 . TYR B 2 278 ? 16.332 -38.228 -57.086 1.00 102.59 ? 278 TYR B CD2 1 ATOM 2555 C CE1 . TYR B 2 278 ? 18.599 -36.639 -57.013 1.00 106.06 ? 278 TYR B CE1 1 ATOM 2556 C CE2 . TYR B 2 278 ? 16.337 -37.055 -56.333 1.00 103.48 ? 278 TYR B CE2 1 ATOM 2557 C CZ . TYR B 2 278 ? 17.473 -36.263 -56.299 1.00 111.59 ? 278 TYR B CZ 1 ATOM 2558 O OH . TYR B 2 278 ? 17.483 -35.105 -55.559 1.00 112.61 ? 278 TYR B OH 1 ATOM 2559 N N . GLY B 2 279 ? 16.410 -42.784 -59.308 1.00 99.68 ? 279 GLY B N 1 ATOM 2560 C CA . GLY B 2 279 ? 16.251 -43.885 -60.252 1.00 100.03 ? 279 GLY B CA 1 ATOM 2561 C C . GLY B 2 279 ? 15.205 -43.581 -61.308 1.00 105.01 ? 279 GLY B C 1 ATOM 2562 O O . GLY B 2 279 ? 14.614 -42.495 -61.298 1.00 104.91 ? 279 GLY B O 1 ATOM 2563 N N . LYS B 2 280 ? 14.963 -44.541 -62.228 1.00 102.30 ? 280 LYS B N 1 ATOM 2564 C CA . LYS B 2 280 ? 13.983 -44.406 -63.314 1.00 103.40 ? 280 LYS B CA 1 ATOM 2565 C C . LYS B 2 280 ? 12.555 -44.298 -62.754 1.00 107.00 ? 280 LYS B C 1 ATOM 2566 O O . LYS B 2 280 ? 12.008 -45.286 -62.254 1.00 106.03 ? 280 LYS B O 1 ATOM 2567 C CB . LYS B 2 280 ? 14.118 -45.562 -64.327 1.00 106.74 ? 280 LYS B CB 1 ATOM 2568 C CG . LYS B 2 280 ? 13.536 -45.256 -65.709 1.00 123.28 ? 280 LYS B CG 1 ATOM 2569 C CD . LYS B 2 280 ? 12.168 -45.912 -65.947 1.00 134.18 ? 280 LYS B CD 1 ATOM 2570 C CE . LYS B 2 280 ? 12.249 -47.308 -66.528 1.00 145.93 ? 280 LYS B CE 1 ATOM 2571 N NZ . LYS B 2 280 ? 12.650 -47.299 -67.961 1.00 156.89 ? 280 LYS B NZ 1 ATOM 2572 N N . ASN B 2 281 ? 11.983 -43.070 -62.806 1.00 104.05 ? 281 ASN B N 1 ATOM 2573 C CA . ASN B 2 281 ? 10.647 -42.699 -62.311 1.00 103.76 ? 281 ASN B CA 1 ATOM 2574 C C . ASN B 2 281 ? 10.418 -43.020 -60.817 1.00 105.93 ? 281 ASN B C 1 ATOM 2575 O O . ASN B 2 281 ? 9.279 -43.240 -60.393 1.00 105.42 ? 281 ASN B O 1 ATOM 2576 C CB . ASN B 2 281 ? 9.532 -43.256 -63.215 1.00 106.16 ? 281 ASN B CB 1 ATOM 2577 C CG . ASN B 2 281 ? 9.479 -42.615 -64.579 1.00 132.34 ? 281 ASN B CG 1 ATOM 2578 O OD1 . ASN B 2 281 ? 9.165 -41.428 -64.726 1.00 127.81 ? 281 ASN B OD1 1 ATOM 2579 N ND2 . ASN B 2 281 ? 9.752 -43.398 -65.612 1.00 125.39 ? 281 ASN B ND2 1 ATOM 2580 N N . GLN B 2 282 ? 11.509 -43.026 -60.022 1.00 101.30 ? 282 GLN B N 1 ATOM 2581 C CA . GLN B 2 282 ? 11.475 -43.317 -58.587 1.00 99.79 ? 282 GLN B CA 1 ATOM 2582 C C . GLN B 2 282 ? 12.558 -42.599 -57.774 1.00 102.52 ? 282 GLN B C 1 ATOM 2583 O O . GLN B 2 282 ? 13.635 -42.299 -58.296 1.00 102.41 ? 282 GLN B O 1 ATOM 2584 C CB . GLN B 2 282 ? 11.478 -44.837 -58.307 1.00 100.96 ? 282 GLN B CB 1 ATOM 2585 C CG . GLN B 2 282 ? 12.719 -45.592 -58.800 1.00 116.93 ? 282 GLN B CG 1 ATOM 2586 C CD . GLN B 2 282 ? 12.864 -46.964 -58.181 1.00 136.59 ? 282 GLN B CD 1 ATOM 2587 O OE1 . GLN B 2 282 ? 11.900 -47.729 -58.042 1.00 132.38 ? 282 GLN B OE1 1 ATOM 2588 N NE2 . GLN B 2 282 ? 14.089 -47.323 -57.831 1.00 128.81 ? 282 GLN B NE2 1 ATOM 2589 N N . VAL B 2 283 ? 12.262 -42.343 -56.486 1.00 97.88 ? 283 VAL B N 1 ATOM 2590 C CA . VAL B 2 283 ? 13.158 -41.687 -55.533 1.00 96.93 ? 283 VAL B CA 1 ATOM 2591 C C . VAL B 2 283 ? 13.418 -42.595 -54.308 1.00 99.58 ? 283 VAL B C 1 ATOM 2592 O O . VAL B 2 283 ? 12.487 -43.225 -53.797 1.00 98.97 ? 283 VAL B O 1 ATOM 2593 C CB . VAL B 2 283 ? 12.697 -40.237 -55.186 1.00 100.78 ? 283 VAL B CB 1 ATOM 2594 C CG1 . VAL B 2 283 ? 11.437 -40.210 -54.318 1.00 100.07 ? 283 VAL B CG1 1 ATOM 2595 C CG2 . VAL B 2 283 ? 13.818 -39.425 -54.552 1.00 100.47 ? 283 VAL B CG2 1 ATOM 2596 N N . ILE B 2 284 ? 14.694 -42.702 -53.886 1.00 95.56 ? 284 ILE B N 1 ATOM 2597 C CA . ILE B 2 284 ? 15.109 -43.532 -52.748 1.00 94.85 ? 284 ILE B CA 1 ATOM 2598 C C . ILE B 2 284 ? 15.689 -42.642 -51.639 1.00 97.67 ? 284 ILE B C 1 ATOM 2599 O O . ILE B 2 284 ? 16.642 -41.898 -51.882 1.00 97.45 ? 284 ILE B O 1 ATOM 2600 C CB . ILE B 2 284 ? 16.068 -44.691 -53.173 1.00 98.34 ? 284 ILE B CB 1 ATOM 2601 C CG1 . ILE B 2 284 ? 15.455 -45.575 -54.283 1.00 99.13 ? 284 ILE B CG1 1 ATOM 2602 C CG2 . ILE B 2 284 ? 16.491 -45.553 -51.976 1.00 99.16 ? 284 ILE B CG2 1 ATOM 2603 C CD1 . ILE B 2 284 ? 16.054 -45.356 -55.659 1.00 106.96 ? 284 ILE B CD1 1 ATOM 2604 N N . MET B 2 285 ? 15.101 -42.721 -50.429 1.00 93.32 ? 285 MET B N 1 ATOM 2605 C CA . MET B 2 285 ? 15.513 -41.931 -49.265 1.00 92.72 ? 285 MET B CA 1 ATOM 2606 C C . MET B 2 285 ? 15.940 -42.812 -48.093 1.00 95.96 ? 285 MET B C 1 ATOM 2607 O O . MET B 2 285 ? 15.193 -43.709 -47.694 1.00 95.63 ? 285 MET B O 1 ATOM 2608 C CB . MET B 2 285 ? 14.381 -40.990 -48.811 1.00 94.67 ? 285 MET B CB 1 ATOM 2609 C CG . MET B 2 285 ? 14.061 -39.881 -49.791 1.00 98.29 ? 285 MET B CG 1 ATOM 2610 S SD . MET B 2 285 ? 12.571 -38.962 -49.328 1.00 102.10 ? 285 MET B SD 1 ATOM 2611 C CE . MET B 2 285 ? 11.298 -40.085 -49.908 1.00 98.78 ? 285 MET B CE 1 ATOM 2612 N N . LEU B 2 286 ? 17.131 -42.538 -47.531 1.00 92.18 ? 286 LEU B N 1 ATOM 2613 C CA . LEU B 2 286 ? 17.663 -43.241 -46.361 1.00 92.29 ? 286 LEU B CA 1 ATOM 2614 C C . LEU B 2 286 ? 17.371 -42.364 -45.142 1.00 95.13 ? 286 LEU B C 1 ATOM 2615 O O . LEU B 2 286 ? 18.084 -41.388 -44.894 1.00 94.89 ? 286 LEU B O 1 ATOM 2616 C CB . LEU B 2 286 ? 19.175 -43.516 -46.504 1.00 93.03 ? 286 LEU B CB 1 ATOM 2617 C CG . LEU B 2 286 ? 19.589 -44.575 -47.527 1.00 97.93 ? 286 LEU B CG 1 ATOM 2618 C CD1 . LEU B 2 286 ? 20.948 -44.257 -48.116 1.00 98.46 ? 286 LEU B CD1 1 ATOM 2619 C CD2 . LEU B 2 286 ? 19.589 -45.969 -46.914 1.00 101.15 ? 286 LEU B CD2 1 ATOM 2620 N N . LEU B 2 287 ? 16.280 -42.680 -44.424 1.00 90.76 ? 287 LEU B N 1 ATOM 2621 C CA . LEU B 2 287 ? 15.819 -41.910 -43.266 1.00 90.20 ? 287 LEU B CA 1 ATOM 2622 C C . LEU B 2 287 ? 16.521 -42.298 -41.969 1.00 94.30 ? 287 LEU B C 1 ATOM 2623 O O . LEU B 2 287 ? 16.557 -43.478 -41.614 1.00 94.59 ? 287 LEU B O 1 ATOM 2624 C CB . LEU B 2 287 ? 14.286 -42.003 -43.106 1.00 89.78 ? 287 LEU B CB 1 ATOM 2625 C CG . LEU B 2 287 ? 13.418 -41.685 -44.335 1.00 93.54 ? 287 LEU B CG 1 ATOM 2626 C CD1 . LEU B 2 287 ? 12.009 -42.195 -44.145 1.00 93.63 ? 287 LEU B CD1 1 ATOM 2627 C CD2 . LEU B 2 287 ? 13.402 -40.193 -44.650 1.00 95.31 ? 287 LEU B CD2 1 ATOM 2628 N N . TYR B 2 288 ? 17.073 -41.294 -41.262 1.00 90.56 ? 288 TYR B N 1 ATOM 2629 C CA . TYR B 2 288 ? 17.770 -41.465 -39.986 1.00 91.43 ? 288 TYR B CA 1 ATOM 2630 C C . TYR B 2 288 ? 17.114 -40.583 -38.893 1.00 94.61 ? 288 TYR B C 1 ATOM 2631 O O . TYR B 2 288 ? 17.636 -39.508 -38.577 1.00 94.31 ? 288 TYR B O 1 ATOM 2632 C CB . TYR B 2 288 ? 19.275 -41.159 -40.135 1.00 93.34 ? 288 TYR B CB 1 ATOM 2633 C CG . TYR B 2 288 ? 20.033 -42.126 -41.019 1.00 95.32 ? 288 TYR B CG 1 ATOM 2634 C CD1 . TYR B 2 288 ? 20.194 -41.878 -42.379 1.00 96.41 ? 288 TYR B CD1 1 ATOM 2635 C CD2 . TYR B 2 288 ? 20.644 -43.257 -40.485 1.00 97.35 ? 288 TYR B CD2 1 ATOM 2636 C CE1 . TYR B 2 288 ? 20.908 -42.755 -43.195 1.00 97.49 ? 288 TYR B CE1 1 ATOM 2637 C CE2 . TYR B 2 288 ? 21.366 -44.137 -41.289 1.00 98.45 ? 288 TYR B CE2 1 ATOM 2638 C CZ . TYR B 2 288 ? 21.494 -43.883 -42.645 1.00 104.99 ? 288 TYR B CZ 1 ATOM 2639 O OH . TYR B 2 288 ? 22.203 -44.749 -43.443 1.00 106.18 ? 288 TYR B OH 1 ATOM 2640 N N . PRO B 2 289 ? 15.959 -40.996 -38.313 1.00 90.56 ? 289 PRO B N 1 ATOM 2641 C CA . PRO B 2 289 ? 15.320 -40.154 -37.289 1.00 90.18 ? 289 PRO B CA 1 ATOM 2642 C C . PRO B 2 289 ? 15.874 -40.345 -35.879 1.00 95.04 ? 289 PRO B C 1 ATOM 2643 O O . PRO B 2 289 ? 16.230 -41.459 -35.492 1.00 95.87 ? 289 PRO B O 1 ATOM 2644 C CB . PRO B 2 289 ? 13.845 -40.544 -37.381 1.00 91.33 ? 289 PRO B CB 1 ATOM 2645 C CG . PRO B 2 289 ? 13.847 -41.942 -37.906 1.00 96.26 ? 289 PRO B CG 1 ATOM 2646 C CD . PRO B 2 289 ? 15.175 -42.224 -38.562 1.00 92.10 ? 289 PRO B CD 1 ATOM 2647 N N . ASP B 2 290 ? 15.932 -39.247 -35.111 1.00 91.27 ? 290 ASP B N 1 ATOM 2648 C CA . ASP B 2 290 ? 16.405 -39.231 -33.724 1.00 92.57 ? 290 ASP B CA 1 ATOM 2649 C C . ASP B 2 290 ? 15.235 -39.473 -32.761 1.00 96.07 ? 290 ASP B C 1 ATOM 2650 O O . ASP B 2 290 ? 15.447 -39.808 -31.594 1.00 97.40 ? 290 ASP B O 1 ATOM 2651 C CB . ASP B 2 290 ? 17.091 -37.888 -33.409 1.00 94.57 ? 290 ASP B CB 1 ATOM 2652 C CG . ASP B 2 290 ? 18.232 -37.537 -34.345 1.00 104.25 ? 290 ASP B CG 1 ATOM 2653 O OD1 . ASP B 2 290 ? 18.106 -36.538 -35.086 1.00 103.54 ? 290 ASP B OD1 1 ATOM 2654 O OD2 . ASP B 2 290 ? 19.247 -38.268 -34.344 1.00 111.30 ? 290 ASP B OD2 1 ATOM 2655 N N . HIS B 2 291 ? 14.000 -39.302 -33.270 1.00 90.59 ? 291 HIS B N 1 ATOM 2656 C CA . HIS B 2 291 ? 12.725 -39.450 -32.559 1.00 90.28 ? 291 HIS B CA 1 ATOM 2657 C C . HIS B 2 291 ? 11.595 -39.727 -33.585 1.00 91.93 ? 291 HIS B C 1 ATOM 2658 O O . HIS B 2 291 ? 11.838 -39.503 -34.775 1.00 90.25 ? 291 HIS B O 1 ATOM 2659 C CB . HIS B 2 291 ? 12.428 -38.172 -31.745 1.00 90.89 ? 291 HIS B CB 1 ATOM 2660 C CG . HIS B 2 291 ? 12.548 -36.905 -32.533 1.00 92.69 ? 291 HIS B CG 1 ATOM 2661 N ND1 . HIS B 2 291 ? 13.703 -36.147 -32.504 1.00 94.84 ? 291 HIS B ND1 1 ATOM 2662 C CD2 . HIS B 2 291 ? 11.656 -36.310 -33.359 1.00 92.75 ? 291 HIS B CD2 1 ATOM 2663 C CE1 . HIS B 2 291 ? 13.478 -35.118 -33.304 1.00 92.84 ? 291 HIS B CE1 1 ATOM 2664 N NE2 . HIS B 2 291 ? 12.261 -35.175 -33.843 1.00 91.92 ? 291 HIS B NE2 1 ATOM 2665 N N . PRO B 2 292 ? 10.372 -40.197 -33.187 1.00 88.18 ? 292 PRO B N 1 ATOM 2666 C CA . PRO B 2 292 ? 9.316 -40.444 -34.194 1.00 86.53 ? 292 PRO B CA 1 ATOM 2667 C C . PRO B 2 292 ? 9.050 -39.241 -35.100 1.00 87.82 ? 292 PRO B C 1 ATOM 2668 O O . PRO B 2 292 ? 8.821 -38.132 -34.612 1.00 86.89 ? 292 PRO B O 1 ATOM 2669 C CB . PRO B 2 292 ? 8.096 -40.827 -33.351 1.00 89.10 ? 292 PRO B CB 1 ATOM 2670 C CG . PRO B 2 292 ? 8.661 -41.348 -32.088 1.00 95.64 ? 292 PRO B CG 1 ATOM 2671 C CD . PRO B 2 292 ? 9.898 -40.545 -31.830 1.00 91.27 ? 292 PRO B CD 1 ATOM 2672 N N . THR B 2 293 ? 9.151 -39.460 -36.423 1.00 83.08 ? 293 THR B N 1 ATOM 2673 C CA . THR B 2 293 ? 9.011 -38.427 -37.450 1.00 81.31 ? 293 THR B CA 1 ATOM 2674 C C . THR B 2 293 ? 7.969 -38.825 -38.506 1.00 84.08 ? 293 THR B C 1 ATOM 2675 O O . THR B 2 293 ? 8.051 -39.919 -39.069 1.00 83.94 ? 293 THR B O 1 ATOM 2676 C CB . THR B 2 293 ? 10.404 -38.126 -38.047 1.00 88.83 ? 293 THR B CB 1 ATOM 2677 O OG1 . THR B 2 293 ? 11.312 -37.806 -36.990 1.00 89.38 ? 293 THR B OG1 1 ATOM 2678 C CG2 . THR B 2 293 ? 10.390 -36.997 -39.064 1.00 86.09 ? 293 THR B CG2 1 ATOM 2679 N N . LEU B 2 294 ? 7.001 -37.927 -38.775 1.00 79.58 ? 294 LEU B N 1 ATOM 2680 C CA . LEU B 2 294 ? 5.944 -38.149 -39.763 1.00 78.85 ? 294 LEU B CA 1 ATOM 2681 C C . LEU B 2 294 ? 6.495 -37.972 -41.179 1.00 82.16 ? 294 LEU B C 1 ATOM 2682 O O . LEU B 2 294 ? 7.088 -36.936 -41.494 1.00 81.34 ? 294 LEU B O 1 ATOM 2683 C CB . LEU B 2 294 ? 4.759 -37.183 -39.534 1.00 78.34 ? 294 LEU B CB 1 ATOM 2684 C CG . LEU B 2 294 ? 3.327 -37.720 -39.744 1.00 83.17 ? 294 LEU B CG 1 ATOM 2685 C CD1 . LEU B 2 294 ? 2.303 -36.721 -39.248 1.00 82.94 ? 294 LEU B CD1 1 ATOM 2686 C CD2 . LEU B 2 294 ? 3.026 -38.019 -41.212 1.00 85.37 ? 294 LEU B CD2 1 ATOM 2687 N N . LEU B 2 295 ? 6.285 -38.990 -42.026 1.00 78.87 ? 295 LEU B N 1 ATOM 2688 C CA . LEU B 2 295 ? 6.687 -38.994 -43.430 1.00 78.39 ? 295 LEU B CA 1 ATOM 2689 C C . LEU B 2 295 ? 5.409 -39.071 -44.268 1.00 81.98 ? 295 LEU B C 1 ATOM 2690 O O . LEU B 2 295 ? 4.666 -40.051 -44.169 1.00 82.01 ? 295 LEU B O 1 ATOM 2691 C CB . LEU B 2 295 ? 7.642 -40.184 -43.718 1.00 78.97 ? 295 LEU B CB 1 ATOM 2692 C CG . LEU B 2 295 ? 8.391 -40.281 -45.078 1.00 83.58 ? 295 LEU B CG 1 ATOM 2693 C CD1 . LEU B 2 295 ? 7.602 -41.062 -46.120 1.00 83.99 ? 295 LEU B CD1 1 ATOM 2694 C CD2 . LEU B 2 295 ? 8.892 -38.930 -45.590 1.00 85.58 ? 295 LEU B CD2 1 ATOM 2695 N N . SER B 2 296 ? 5.130 -38.012 -45.045 1.00 78.04 ? 296 SER B N 1 ATOM 2696 C CA . SER B 2 296 ? 3.942 -37.932 -45.896 1.00 77.96 ? 296 SER B CA 1 ATOM 2697 C C . SER B 2 296 ? 4.303 -37.608 -47.341 1.00 81.98 ? 296 SER B C 1 ATOM 2698 O O . SER B 2 296 ? 5.289 -36.909 -47.589 1.00 81.34 ? 296 SER B O 1 ATOM 2699 C CB . SER B 2 296 ? 2.947 -36.915 -45.346 1.00 81.18 ? 296 SER B CB 1 ATOM 2700 O OG . SER B 2 296 ? 3.457 -35.593 -45.389 1.00 89.55 ? 296 SER B OG 1 ATOM 2701 N N . TYR B 2 297 ? 3.504 -38.124 -48.292 1.00 79.15 ? 297 TYR B N 1 ATOM 2702 C CA . TYR B 2 297 ? 3.715 -37.920 -49.726 1.00 79.50 ? 297 TYR B CA 1 ATOM 2703 C C . TYR B 2 297 ? 2.431 -37.929 -50.553 1.00 84.09 ? 297 TYR B C 1 ATOM 2704 O O . TYR B 2 297 ? 1.443 -38.557 -50.166 1.00 83.89 ? 297 TYR B O 1 ATOM 2705 C CB . TYR B 2 297 ? 4.773 -38.885 -50.298 1.00 80.93 ? 297 TYR B CB 1 ATOM 2706 C CG . TYR B 2 297 ? 4.533 -40.350 -50.000 1.00 82.96 ? 297 TYR B CG 1 ATOM 2707 C CD1 . TYR B 2 297 ? 3.898 -41.174 -50.923 1.00 85.72 ? 297 TYR B CD1 1 ATOM 2708 C CD2 . TYR B 2 297 ? 5.015 -40.932 -48.829 1.00 83.44 ? 297 TYR B CD2 1 ATOM 2709 C CE1 . TYR B 2 297 ? 3.706 -42.532 -50.670 1.00 87.01 ? 297 TYR B CE1 1 ATOM 2710 C CE2 . TYR B 2 297 ? 4.820 -42.285 -48.560 1.00 84.89 ? 297 TYR B CE2 1 ATOM 2711 C CZ . TYR B 2 297 ? 4.167 -43.083 -49.485 1.00 93.16 ? 297 TYR B CZ 1 ATOM 2712 O OH . TYR B 2 297 ? 3.977 -44.419 -49.226 1.00 94.97 ? 297 TYR B OH 1 ATOM 2713 N N . ARG B 2 298 ? 2.452 -37.204 -51.688 1.00 81.23 ? 298 ARG B N 1 ATOM 2714 C CA . ARG B 2 298 ? 1.325 -37.069 -52.615 1.00 82.03 ? 298 ARG B CA 1 ATOM 2715 C C . ARG B 2 298 ? 1.782 -36.764 -54.044 1.00 87.05 ? 298 ARG B C 1 ATOM 2716 O O . ARG B 2 298 ? 2.824 -36.133 -54.243 1.00 86.50 ? 298 ARG B O 1 ATOM 2717 C CB . ARG B 2 298 ? 0.327 -35.990 -52.132 1.00 81.99 ? 298 ARG B CB 1 ATOM 2718 C CG . ARG B 2 298 ? 0.937 -34.601 -51.929 1.00 91.26 ? 298 ARG B CG 1 ATOM 2719 C CD . ARG B 2 298 ? -0.094 -33.497 -52.019 1.00 100.73 ? 298 ARG B CD 1 ATOM 2720 N NE . ARG B 2 298 ? 0.530 -32.179 -51.902 1.00 108.45 ? 298 ARG B NE 1 ATOM 2721 C CZ . ARG B 2 298 ? -0.133 -31.027 -51.898 1.00 122.71 ? 298 ARG B CZ 1 ATOM 2722 N NH1 . ARG B 2 298 ? -1.457 -31.014 -52.001 1.00 110.01 ? 298 ARG B NH1 1 ATOM 2723 N NH2 . ARG B 2 298 ? 0.521 -29.879 -51.787 1.00 109.90 ? 298 ARG B NH2 1 ATOM 2724 N N . ASN B 2 299 ? 0.983 -37.199 -55.032 1.00 84.91 ? 299 ASN B N 1 ATOM 2725 C CA . ASN B 2 299 ? 1.233 -36.939 -56.449 1.00 86.10 ? 299 ASN B CA 1 ATOM 2726 C C . ASN B 2 299 ? 0.687 -35.546 -56.767 1.00 90.67 ? 299 ASN B C 1 ATOM 2727 O O . ASN B 2 299 ? -0.347 -35.154 -56.220 1.00 90.10 ? 299 ASN B O 1 ATOM 2728 C CB . ASN B 2 299 ? 0.552 -37.993 -57.332 1.00 88.28 ? 299 ASN B CB 1 ATOM 2729 C CG . ASN B 2 299 ? 0.918 -39.427 -57.021 1.00 111.78 ? 299 ASN B CG 1 ATOM 2730 O OD1 . ASN B 2 299 ? 2.093 -39.792 -56.882 1.00 105.53 ? 299 ASN B OD1 1 ATOM 2731 N ND2 . ASN B 2 299 ? -0.089 -40.285 -56.944 1.00 104.46 ? 299 ASN B ND2 1 ATOM 2732 N N B MET B 2 300 ? 1.383 -34.798 -57.639 1.00 88.14 ? 300 MET B N 1 ATOM 2733 C CA B MET B 2 300 ? 0.990 -33.438 -58.020 1.00 89.02 ? 300 MET B CA 1 ATOM 2734 C C B MET B 2 300 ? 0.088 -33.384 -59.273 1.00 94.82 ? 300 MET B C 1 ATOM 2735 O O B MET B 2 300 ? 0.167 -32.441 -60.066 1.00 95.95 ? 300 MET B O 1 ATOM 2736 C CB B MET B 2 300 ? 2.222 -32.519 -58.128 1.00 91.49 ? 300 MET B CB 1 ATOM 2737 C CG B MET B 2 300 ? 2.824 -32.164 -56.781 1.00 93.37 ? 300 MET B CG 1 ATOM 2738 S SD B MET B 2 300 ? 4.156 -30.945 -56.879 1.00 98.07 ? 300 MET B SD 1 ATOM 2739 C CE B MET B 2 300 ? 5.539 -32.007 -57.179 1.00 94.34 ? 300 MET B CE 1 ATOM 2740 N N . GLY B 2 301 ? -0.782 -34.386 -59.407 1.00 91.53 ? 301 GLY B N 1 ATOM 2741 C CA . GLY B 2 301 ? -1.732 -34.506 -60.507 1.00 93.48 ? 301 GLY B CA 1 ATOM 2742 C C . GLY B 2 301 ? -3.174 -34.623 -60.052 1.00 97.29 ? 301 GLY B C 1 ATOM 2743 O O . GLY B 2 301 ? -3.509 -34.216 -58.934 1.00 95.44 ? 301 GLY B O 1 ATOM 2744 N N . GLU B 2 302 ? -4.036 -35.184 -60.926 1.00 95.58 ? 302 GLU B N 1 ATOM 2745 C CA . GLU B 2 302 ? -5.470 -35.385 -60.685 1.00 96.00 ? 302 GLU B CA 1 ATOM 2746 C C . GLU B 2 302 ? -5.737 -36.350 -59.521 1.00 97.82 ? 302 GLU B C 1 ATOM 2747 O O . GLU B 2 302 ? -6.665 -36.122 -58.743 1.00 96.87 ? 302 GLU B O 1 ATOM 2748 C CB . GLU B 2 302 ? -6.169 -35.864 -61.968 1.00 100.04 ? 302 GLU B CB 1 ATOM 2749 C CG . GLU B 2 302 ? -7.664 -35.589 -61.996 1.00 112.33 ? 302 GLU B CG 1 ATOM 2750 C CD . GLU B 2 302 ? -8.362 -35.966 -63.288 1.00 136.18 ? 302 GLU B CD 1 ATOM 2751 O OE1 . GLU B 2 302 ? -8.316 -37.159 -63.667 1.00 131.81 ? 302 GLU B OE1 1 ATOM 2752 O OE2 . GLU B 2 302 ? -8.982 -35.072 -63.909 1.00 132.10 ? 302 GLU B OE2 1 ATOM 2753 N N . GLU B 2 303 ? -4.923 -37.418 -59.410 1.00 93.40 ? 303 GLU B N 1 ATOM 2754 C CA . GLU B 2 303 ? -5.015 -38.420 -58.348 1.00 91.77 ? 303 GLU B CA 1 ATOM 2755 C C . GLU B 2 303 ? -3.824 -38.227 -57.384 1.00 92.95 ? 303 GLU B C 1 ATOM 2756 O O . GLU B 2 303 ? -2.726 -38.714 -57.673 1.00 92.00 ? 303 GLU B O 1 ATOM 2757 C CB . GLU B 2 303 ? -5.046 -39.844 -58.943 1.00 94.15 ? 303 GLU B CB 1 ATOM 2758 C CG . GLU B 2 303 ? -5.354 -40.934 -57.930 1.00 104.23 ? 303 GLU B CG 1 ATOM 2759 C CD . GLU B 2 303 ? -4.703 -42.269 -58.231 1.00 125.18 ? 303 GLU B CD 1 ATOM 2760 O OE1 . GLU B 2 303 ? -5.421 -43.194 -58.674 1.00 121.26 ? 303 GLU B OE1 1 ATOM 2761 O OE2 . GLU B 2 303 ? -3.474 -42.391 -58.026 1.00 117.99 ? 303 GLU B OE2 1 ATOM 2762 N N . PRO B 2 304 ? -4.003 -37.491 -56.258 1.00 87.93 ? 304 PRO B N 1 ATOM 2763 C CA . PRO B 2 304 ? -2.868 -37.271 -55.342 1.00 85.86 ? 304 PRO B CA 1 ATOM 2764 C C . PRO B 2 304 ? -2.425 -38.510 -54.563 1.00 88.44 ? 304 PRO B C 1 ATOM 2765 O O . PRO B 2 304 ? -1.227 -38.668 -54.327 1.00 87.03 ? 304 PRO B O 1 ATOM 2766 C CB . PRO B 2 304 ? -3.356 -36.148 -54.426 1.00 86.87 ? 304 PRO B CB 1 ATOM 2767 C CG . PRO B 2 304 ? -4.831 -36.258 -54.440 1.00 92.26 ? 304 PRO B CG 1 ATOM 2768 C CD . PRO B 2 304 ? -5.229 -36.820 -55.774 1.00 89.65 ? 304 PRO B CD 1 ATOM 2769 N N . ASN B 2 305 ? -3.387 -39.388 -54.183 1.00 85.27 ? 305 ASN B N 1 ATOM 2770 C CA . ASN B 2 305 ? -3.174 -40.636 -53.435 1.00 84.60 ? 305 ASN B CA 1 ATOM 2771 C C . ASN B 2 305 ? -2.283 -40.418 -52.196 1.00 86.67 ? 305 ASN B C 1 ATOM 2772 O O . ASN B 2 305 ? -1.141 -40.889 -52.146 1.00 85.74 ? 305 ASN B O 1 ATOM 2773 C CB . ASN B 2 305 ? -2.661 -41.759 -54.364 1.00 86.12 ? 305 ASN B CB 1 ATOM 2774 C CG . ASN B 2 305 ? -2.665 -43.145 -53.758 1.00 107.86 ? 305 ASN B CG 1 ATOM 2775 O OD1 . ASN B 2 305 ? -3.652 -43.601 -53.167 1.00 102.41 ? 305 ASN B OD1 1 ATOM 2776 N ND2 . ASN B 2 305 ? -1.563 -43.860 -53.921 1.00 99.17 ? 305 ASN B ND2 1 ATOM 2777 N N . TYR B 2 306 ? -2.805 -39.647 -51.222 1.00 82.38 ? 306 TYR B N 1 ATOM 2778 C CA . TYR B 2 306 ? -2.099 -39.304 -49.988 1.00 80.82 ? 306 TYR B CA 1 ATOM 2779 C C . TYR B 2 306 ? -1.813 -40.520 -49.115 1.00 84.53 ? 306 TYR B C 1 ATOM 2780 O O . TYR B 2 306 ? -2.718 -41.304 -48.821 1.00 84.90 ? 306 TYR B O 1 ATOM 2781 C CB . TYR B 2 306 ? -2.844 -38.211 -49.193 1.00 81.45 ? 306 TYR B CB 1 ATOM 2782 C CG . TYR B 2 306 ? -2.190 -37.865 -47.871 1.00 82.00 ? 306 TYR B CG 1 ATOM 2783 C CD1 . TYR B 2 306 ? -1.102 -36.999 -47.814 1.00 83.22 ? 306 TYR B CD1 1 ATOM 2784 C CD2 . TYR B 2 306 ? -2.647 -38.419 -46.678 1.00 82.66 ? 306 TYR B CD2 1 ATOM 2785 C CE1 . TYR B 2 306 ? -0.486 -36.690 -46.602 1.00 83.15 ? 306 TYR B CE1 1 ATOM 2786 C CE2 . TYR B 2 306 ? -2.032 -38.126 -45.462 1.00 82.76 ? 306 TYR B CE2 1 ATOM 2787 C CZ . TYR B 2 306 ? -0.954 -37.256 -45.428 1.00 89.15 ? 306 TYR B CZ 1 ATOM 2788 O OH . TYR B 2 306 ? -0.352 -36.953 -44.230 1.00 89.14 ? 306 TYR B OH 1 ATOM 2789 N N . GLN B 2 307 ? -0.551 -40.648 -48.686 1.00 80.28 ? 307 GLN B N 1 ATOM 2790 C CA . GLN B 2 307 ? -0.078 -41.720 -47.816 1.00 80.15 ? 307 GLN B CA 1 ATOM 2791 C C . GLN B 2 307 ? 0.818 -41.144 -46.723 1.00 83.07 ? 307 GLN B C 1 ATOM 2792 O O . GLN B 2 307 ? 1.601 -40.228 -46.986 1.00 81.89 ? 307 GLN B O 1 ATOM 2793 C CB . GLN B 2 307 ? 0.665 -42.792 -48.632 1.00 82.01 ? 307 GLN B CB 1 ATOM 2794 C CG . GLN B 2 307 ? 0.053 -44.193 -48.548 1.00 98.75 ? 307 GLN B CG 1 ATOM 2795 C CD . GLN B 2 307 ? -1.318 -44.303 -49.179 1.00 119.16 ? 307 GLN B CD 1 ATOM 2796 O OE1 . GLN B 2 307 ? -2.337 -44.374 -48.485 1.00 115.21 ? 307 GLN B OE1 1 ATOM 2797 N NE2 . GLN B 2 307 ? -1.375 -44.328 -50.503 1.00 112.09 ? 307 GLN B NE2 1 ATOM 2798 N N . GLU B 2 308 ? 0.682 -41.665 -45.494 1.00 79.92 ? 308 GLU B N 1 ATOM 2799 C CA . GLU B 2 308 ? 1.473 -41.223 -44.345 1.00 79.24 ? 308 GLU B CA 1 ATOM 2800 C C . GLU B 2 308 ? 1.909 -42.373 -43.439 1.00 83.94 ? 308 GLU B C 1 ATOM 2801 O O . GLU B 2 308 ? 1.184 -43.360 -43.295 1.00 84.53 ? 308 GLU B O 1 ATOM 2802 C CB . GLU B 2 308 ? 0.766 -40.104 -43.549 1.00 80.13 ? 308 GLU B CB 1 ATOM 2803 C CG . GLU B 2 308 ? -0.570 -40.485 -42.926 1.00 91.49 ? 308 GLU B CG 1 ATOM 2804 C CD . GLU B 2 308 ? -1.043 -39.562 -41.820 1.00 112.07 ? 308 GLU B CD 1 ATOM 2805 O OE1 . GLU B 2 308 ? -1.142 -40.029 -40.662 1.00 107.39 ? 308 GLU B OE1 1 ATOM 2806 O OE2 . GLU B 2 308 ? -1.316 -38.374 -42.106 1.00 105.77 ? 308 GLU B OE2 1 ATOM 2807 N N . GLU B 2 309 ? 3.102 -42.237 -42.835 1.00 80.35 ? 309 GLU B N 1 ATOM 2808 C CA . GLU B 2 309 ? 3.685 -43.216 -41.914 1.00 81.15 ? 309 GLU B CA 1 ATOM 2809 C C . GLU B 2 309 ? 4.645 -42.565 -40.922 1.00 84.78 ? 309 GLU B C 1 ATOM 2810 O O . GLU B 2 309 ? 5.429 -41.691 -41.302 1.00 83.46 ? 309 GLU B O 1 ATOM 2811 C CB . GLU B 2 309 ? 4.358 -44.395 -42.658 1.00 83.16 ? 309 GLU B CB 1 ATOM 2812 C CG . GLU B 2 309 ? 5.444 -44.014 -43.655 1.00 93.16 ? 309 GLU B CG 1 ATOM 2813 C CD . GLU B 2 309 ? 6.276 -45.177 -44.156 1.00 114.83 ? 309 GLU B CD 1 ATOM 2814 O OE1 . GLU B 2 309 ? 7.149 -45.655 -43.396 1.00 110.88 ? 309 GLU B OE1 1 ATOM 2815 O OE2 . GLU B 2 309 ? 6.071 -45.598 -45.317 1.00 108.68 ? 309 GLU B OE2 1 ATOM 2816 N N . TRP B 2 310 ? 4.571 -42.983 -39.650 1.00 82.45 ? 310 TRP B N 1 ATOM 2817 C CA . TRP B 2 310 ? 5.451 -42.483 -38.600 1.00 82.50 ? 310 TRP B CA 1 ATOM 2818 C C . TRP B 2 310 ? 6.724 -43.320 -38.603 1.00 87.27 ? 310 TRP B C 1 ATOM 2819 O O . TRP B 2 310 ? 6.670 -44.529 -38.362 1.00 88.08 ? 310 TRP B O 1 ATOM 2820 C CB . TRP B 2 310 ? 4.762 -42.524 -37.229 1.00 82.21 ? 310 TRP B CB 1 ATOM 2821 C CG . TRP B 2 310 ? 3.848 -41.365 -36.973 1.00 82.29 ? 310 TRP B CG 1 ATOM 2822 C CD1 . TRP B 2 310 ? 2.498 -41.329 -37.161 1.00 85.10 ? 310 TRP B CD1 1 ATOM 2823 C CD2 . TRP B 2 310 ? 4.218 -40.077 -36.464 1.00 81.38 ? 310 TRP B CD2 1 ATOM 2824 N NE1 . TRP B 2 310 ? 2.002 -40.098 -36.801 1.00 83.72 ? 310 TRP B NE1 1 ATOM 2825 C CE2 . TRP B 2 310 ? 3.037 -39.309 -36.369 1.00 84.71 ? 310 TRP B CE2 1 ATOM 2826 C CE3 . TRP B 2 310 ? 5.437 -39.494 -36.077 1.00 82.55 ? 310 TRP B CE3 1 ATOM 2827 C CZ2 . TRP B 2 310 ? 3.037 -37.990 -35.898 1.00 83.27 ? 310 TRP B CZ2 1 ATOM 2828 C CZ3 . TRP B 2 310 ? 5.437 -38.186 -35.617 1.00 83.37 ? 310 TRP B CZ3 1 ATOM 2829 C CH2 . TRP B 2 310 ? 4.249 -37.447 -35.534 1.00 83.34 ? 310 TRP B CH2 1 ATOM 2830 N N . VAL B 2 311 ? 7.859 -42.684 -38.931 1.00 83.34 ? 311 VAL B N 1 ATOM 2831 C CA . VAL B 2 311 ? 9.166 -43.340 -38.996 1.00 83.88 ? 311 VAL B CA 1 ATOM 2832 C C . VAL B 2 311 ? 9.811 -43.269 -37.609 1.00 89.05 ? 311 VAL B C 1 ATOM 2833 O O . VAL B 2 311 ? 10.040 -42.176 -37.086 1.00 88.16 ? 311 VAL B O 1 ATOM 2834 C CB . VAL B 2 311 ? 10.063 -42.771 -40.132 1.00 86.73 ? 311 VAL B CB 1 ATOM 2835 C CG1 . VAL B 2 311 ? 11.354 -43.571 -40.272 1.00 87.27 ? 311 VAL B CG1 1 ATOM 2836 C CG2 . VAL B 2 311 ? 9.314 -42.747 -41.463 1.00 85.67 ? 311 VAL B CG2 1 ATOM 2837 N N . MET B 2 312 ? 10.057 -44.444 -37.004 1.00 87.46 ? 312 MET B N 1 ATOM 2838 C CA . MET B 2 312 ? 10.614 -44.570 -35.655 1.00 88.96 ? 312 MET B CA 1 ATOM 2839 C C . MET B 2 312 ? 12.138 -44.667 -35.648 1.00 93.52 ? 312 MET B C 1 ATOM 2840 O O . MET B 2 312 ? 12.788 -43.952 -34.884 1.00 93.45 ? 312 MET B O 1 ATOM 2841 C CB . MET B 2 312 ? 9.982 -45.761 -34.899 1.00 93.23 ? 312 MET B CB 1 ATOM 2842 C CG . MET B 2 312 ? 8.462 -45.860 -35.033 1.00 96.60 ? 312 MET B CG 1 ATOM 2843 S SD . MET B 2 312 ? 7.542 -44.465 -34.335 1.00 99.89 ? 312 MET B SD 1 ATOM 2844 C CE . MET B 2 312 ? 7.476 -44.950 -32.622 1.00 99.13 ? 312 MET B CE 1 ATOM 2845 N N . HIS B 2 313 ? 12.706 -45.561 -36.477 1.00 90.42 ? 313 HIS B N 1 ATOM 2846 C CA . HIS B 2 313 ? 14.154 -45.765 -36.563 1.00 90.91 ? 313 HIS B CA 1 ATOM 2847 C C . HIS B 2 313 ? 14.623 -45.776 -38.032 1.00 93.34 ? 313 HIS B C 1 ATOM 2848 O O . HIS B 2 313 ? 13.865 -45.352 -38.904 1.00 91.37 ? 313 HIS B O 1 ATOM 2849 C CB . HIS B 2 313 ? 14.572 -47.049 -35.824 1.00 94.01 ? 313 HIS B CB 1 ATOM 2850 C CG . HIS B 2 313 ? 13.802 -47.333 -34.571 1.00 99.06 ? 313 HIS B CG 1 ATOM 2851 N ND1 . HIS B 2 313 ? 12.662 -48.118 -34.588 1.00 101.35 ? 313 HIS B ND1 1 ATOM 2852 C CD2 . HIS B 2 313 ? 14.027 -46.918 -33.303 1.00 102.17 ? 313 HIS B CD2 1 ATOM 2853 C CE1 . HIS B 2 313 ? 12.237 -48.161 -33.336 1.00 102.41 ? 313 HIS B CE1 1 ATOM 2854 N NE2 . HIS B 2 313 ? 13.025 -47.453 -32.527 1.00 103.28 ? 313 HIS B NE2 1 ATOM 2855 N N . LYS B 2 314 ? 15.872 -46.233 -38.297 1.00 90.58 ? 314 LYS B N 1 ATOM 2856 C CA . LYS B 2 314 ? 16.490 -46.309 -39.629 1.00 89.45 ? 314 LYS B CA 1 ATOM 2857 C C . LYS B 2 314 ? 15.622 -47.106 -40.618 1.00 92.83 ? 314 LYS B C 1 ATOM 2858 O O . LYS B 2 314 ? 15.337 -48.282 -40.381 1.00 93.49 ? 314 LYS B O 1 ATOM 2859 C CB . LYS B 2 314 ? 17.911 -46.900 -39.523 1.00 93.16 ? 314 LYS B CB 1 ATOM 2860 C CG . LYS B 2 314 ? 18.719 -46.870 -40.816 1.00 106.88 ? 314 LYS B CG 1 ATOM 2861 C CD . LYS B 2 314 ? 20.063 -47.562 -40.646 1.00 118.61 ? 314 LYS B CD 1 ATOM 2862 C CE . LYS B 2 314 ? 20.781 -47.740 -41.960 1.00 129.20 ? 314 LYS B CE 1 ATOM 2863 N NZ . LYS B 2 314 ? 22.108 -48.384 -41.779 1.00 139.78 ? 314 LYS B NZ 1 ATOM 2864 N N . LYS B 2 315 ? 15.180 -46.444 -41.707 1.00 88.01 ? 315 LYS B N 1 ATOM 2865 C CA . LYS B 2 315 ? 14.330 -47.047 -42.737 1.00 87.42 ? 315 LYS B CA 1 ATOM 2866 C C . LYS B 2 315 ? 14.584 -46.443 -44.121 1.00 90.25 ? 315 LYS B C 1 ATOM 2867 O O . LYS B 2 315 ? 14.648 -45.219 -44.263 1.00 89.00 ? 315 LYS B O 1 ATOM 2868 C CB . LYS B 2 315 ? 12.839 -46.916 -42.356 1.00 89.87 ? 315 LYS B CB 1 ATOM 2869 C CG . LYS B 2 315 ? 11.907 -47.837 -43.143 1.00 104.63 ? 315 LYS B CG 1 ATOM 2870 C CD . LYS B 2 315 ? 10.442 -47.563 -42.838 1.00 114.38 ? 315 LYS B CD 1 ATOM 2871 C CE . LYS B 2 315 ? 9.530 -48.456 -43.642 1.00 125.54 ? 315 LYS B CE 1 ATOM 2872 N NZ . LYS B 2 315 ? 8.102 -48.256 -43.283 1.00 134.57 ? 315 LYS B NZ 1 ATOM 2873 N N . GLU B 2 316 ? 14.710 -47.314 -45.139 1.00 87.03 ? 316 GLU B N 1 ATOM 2874 C CA . GLU B 2 316 ? 14.904 -46.923 -46.535 1.00 86.07 ? 316 GLU B CA 1 ATOM 2875 C C . GLU B 2 316 ? 13.538 -46.939 -47.227 1.00 89.45 ? 316 GLU B C 1 ATOM 2876 O O . GLU B 2 316 ? 12.827 -47.946 -47.161 1.00 89.60 ? 316 GLU B O 1 ATOM 2877 C CB . GLU B 2 316 ? 15.893 -47.871 -47.240 1.00 87.92 ? 316 GLU B CB 1 ATOM 2878 C CG . GLU B 2 316 ? 16.390 -47.351 -48.579 1.00 98.22 ? 316 GLU B CG 1 ATOM 2879 C CD . GLU B 2 316 ? 17.165 -48.353 -49.412 1.00 119.41 ? 316 GLU B CD 1 ATOM 2880 O OE1 . GLU B 2 316 ? 16.539 -49.302 -49.937 1.00 114.60 ? 316 GLU B OE1 1 ATOM 2881 O OE2 . GLU B 2 316 ? 18.394 -48.171 -49.567 1.00 113.41 ? 316 GLU B OE2 1 ATOM 2882 N N . VAL B 2 317 ? 13.164 -45.819 -47.867 1.00 85.18 ? 317 VAL B N 1 ATOM 2883 C CA . VAL B 2 317 ? 11.875 -45.695 -48.556 1.00 84.75 ? 317 VAL B CA 1 ATOM 2884 C C . VAL B 2 317 ? 12.007 -45.501 -50.068 1.00 88.33 ? 317 VAL B C 1 ATOM 2885 O O . VAL B 2 317 ? 12.738 -44.616 -50.518 1.00 87.48 ? 317 VAL B O 1 ATOM 2886 C CB . VAL B 2 317 ? 10.888 -44.689 -47.897 1.00 88.22 ? 317 VAL B CB 1 ATOM 2887 C CG1 . VAL B 2 317 ? 10.366 -45.214 -46.562 1.00 88.51 ? 317 VAL B CG1 1 ATOM 2888 C CG2 . VAL B 2 317 ? 11.500 -43.296 -47.740 1.00 87.48 ? 317 VAL B CG2 1 ATOM 2889 N N . VAL B 2 318 ? 11.308 -46.347 -50.844 1.00 85.39 ? 318 VAL B N 1 ATOM 2890 C CA . VAL B 2 318 ? 11.300 -46.296 -52.308 1.00 85.35 ? 318 VAL B CA 1 ATOM 2891 C C . VAL B 2 318 ? 9.938 -45.745 -52.744 1.00 89.15 ? 318 VAL B C 1 ATOM 2892 O O . VAL B 2 318 ? 8.906 -46.382 -52.515 1.00 89.13 ? 318 VAL B O 1 ATOM 2893 C CB . VAL B 2 318 ? 11.649 -47.663 -52.968 1.00 89.97 ? 318 VAL B CB 1 ATOM 2894 C CG1 . VAL B 2 318 ? 11.713 -47.543 -54.491 1.00 90.05 ? 318 VAL B CG1 1 ATOM 2895 C CG2 . VAL B 2 318 ? 12.964 -48.222 -52.425 1.00 89.80 ? 318 VAL B CG2 1 ATOM 2896 N N . LEU B 2 319 ? 9.945 -44.536 -53.326 1.00 85.38 ? 319 LEU B N 1 ATOM 2897 C CA . LEU B 2 319 ? 8.745 -43.821 -53.763 1.00 85.33 ? 319 LEU B CA 1 ATOM 2898 C C . LEU B 2 319 ? 8.747 -43.610 -55.271 1.00 89.66 ? 319 LEU B C 1 ATOM 2899 O O . LEU B 2 319 ? 9.763 -43.197 -55.827 1.00 89.21 ? 319 LEU B O 1 ATOM 2900 C CB . LEU B 2 319 ? 8.675 -42.455 -53.052 1.00 84.82 ? 319 LEU B CB 1 ATOM 2901 C CG . LEU B 2 319 ? 7.989 -42.375 -51.683 1.00 89.14 ? 319 LEU B CG 1 ATOM 2902 C CD1 . LEU B 2 319 ? 8.822 -43.024 -50.586 1.00 89.06 ? 319 LEU B CD1 1 ATOM 2903 C CD2 . LEU B 2 319 ? 7.776 -40.937 -51.299 1.00 91.31 ? 319 LEU B CD2 1 ATOM 2904 N N . THR B 2 320 ? 7.606 -43.875 -55.929 1.00 86.91 ? 320 THR B N 1 ATOM 2905 C CA . THR B 2 320 ? 7.457 -43.697 -57.376 1.00 87.71 ? 320 THR B CA 1 ATOM 2906 C C . THR B 2 320 ? 7.130 -42.240 -57.705 1.00 91.79 ? 320 THR B C 1 ATOM 2907 O O . THR B 2 320 ? 6.186 -41.678 -57.142 1.00 91.17 ? 320 THR B O 1 ATOM 2908 C CB . THR B 2 320 ? 6.436 -44.687 -57.963 1.00 96.60 ? 320 THR B CB 1 ATOM 2909 O OG1 . THR B 2 320 ? 5.219 -44.616 -57.219 1.00 96.13 ? 320 THR B OG1 1 ATOM 2910 C CG2 . THR B 2 320 ? 6.955 -46.121 -57.991 1.00 95.25 ? 320 THR B CG2 1 ATOM 2911 N N . VAL B 2 321 ? 7.928 -41.626 -58.597 1.00 88.86 ? 321 VAL B N 1 ATOM 2912 C CA . VAL B 2 321 ? 7.757 -40.233 -59.019 1.00 89.28 ? 321 VAL B CA 1 ATOM 2913 C C . VAL B 2 321 ? 7.008 -40.186 -60.369 1.00 94.65 ? 321 VAL B C 1 ATOM 2914 O O . VAL B 2 321 ? 7.594 -40.540 -61.398 1.00 95.10 ? 321 VAL B O 1 ATOM 2915 C CB . VAL B 2 321 ? 9.098 -39.436 -59.044 1.00 93.09 ? 321 VAL B CB 1 ATOM 2916 C CG1 . VAL B 2 321 ? 8.872 -37.972 -59.422 1.00 93.78 ? 321 VAL B CG1 1 ATOM 2917 C CG2 . VAL B 2 321 ? 9.827 -39.531 -57.706 1.00 91.50 ? 321 VAL B CG2 1 ATOM 2918 N N . PRO B 2 322 ? 5.716 -39.772 -60.390 1.00 91.68 ? 322 PRO B N 1 ATOM 2919 C CA . PRO B 2 322 ? 4.996 -39.709 -61.674 1.00 93.34 ? 322 PRO B CA 1 ATOM 2920 C C . PRO B 2 322 ? 5.361 -38.461 -62.481 1.00 98.33 ? 322 PRO B C 1 ATOM 2921 O O . PRO B 2 322 ? 5.943 -37.527 -61.926 1.00 97.25 ? 322 PRO B O 1 ATOM 2922 C CB . PRO B 2 322 ? 3.525 -39.714 -61.252 1.00 95.26 ? 322 PRO B CB 1 ATOM 2923 C CG . PRO B 2 322 ? 3.516 -39.085 -59.905 1.00 98.14 ? 322 PRO B CG 1 ATOM 2924 C CD . PRO B 2 322 ? 4.864 -39.318 -59.269 1.00 92.33 ? 322 PRO B CD 1 ATOM 2925 N N . THR B 2 323 ? 4.998 -38.442 -63.784 1.00 96.81 ? 323 THR B N 1 ATOM 2926 C CA . THR B 2 323 ? 5.252 -37.335 -64.723 1.00 98.39 ? 323 THR B CA 1 ATOM 2927 C C . THR B 2 323 ? 4.721 -35.987 -64.221 1.00 102.05 ? 323 THR B C 1 ATOM 2928 O O . THR B 2 323 ? 5.353 -34.956 -64.457 1.00 102.33 ? 323 THR B O 1 ATOM 2929 C CB . THR B 2 323 ? 4.730 -37.667 -66.128 1.00 109.05 ? 323 THR B CB 1 ATOM 2930 O OG1 . THR B 2 323 ? 3.355 -38.047 -66.048 1.00 109.23 ? 323 THR B OG1 1 ATOM 2931 C CG2 . THR B 2 323 ? 5.544 -38.758 -66.817 1.00 107.75 ? 323 THR B CG2 1 ATOM 2932 N N . GLU B 2 324 ? 3.576 -36.008 -63.512 1.00 97.74 ? 324 GLU B N 1 ATOM 2933 C CA . GLU B 2 324 ? 2.936 -34.832 -62.913 1.00 97.39 ? 324 GLU B CA 1 ATOM 2934 C C . GLU B 2 324 ? 3.739 -34.263 -61.730 1.00 99.11 ? 324 GLU B C 1 ATOM 2935 O O . GLU B 2 324 ? 3.650 -33.065 -61.454 1.00 98.92 ? 324 GLU B O 1 ATOM 2936 C CB . GLU B 2 324 ? 1.477 -35.125 -62.504 1.00 98.64 ? 324 GLU B CB 1 ATOM 2937 C CG . GLU B 2 324 ? 1.273 -36.417 -61.723 1.00 107.44 ? 324 GLU B CG 1 ATOM 2938 C CD . GLU B 2 324 ? 0.791 -37.599 -62.543 1.00 128.29 ? 324 GLU B CD 1 ATOM 2939 O OE1 . GLU B 2 324 ? 1.447 -37.939 -63.554 1.00 122.45 ? 324 GLU B OE1 1 ATOM 2940 O OE2 . GLU B 2 324 ? -0.232 -38.206 -62.153 1.00 121.83 ? 324 GLU B OE2 1 ATOM 2941 N N . GLY B 2 325 ? 4.503 -35.125 -61.056 1.00 93.78 ? 325 GLY B N 1 ATOM 2942 C CA . GLY B 2 325 ? 5.344 -34.753 -59.923 1.00 91.84 ? 325 GLY B CA 1 ATOM 2943 C C . GLY B 2 325 ? 4.957 -35.389 -58.603 1.00 93.44 ? 325 GLY B C 1 ATOM 2944 O O . GLY B 2 325 ? 3.818 -35.830 -58.432 1.00 92.91 ? 325 GLY B O 1 ATOM 2945 N N . LEU B 2 326 ? 5.914 -35.428 -57.656 1.00 88.47 ? 326 LEU B N 1 ATOM 2946 C CA . LEU B 2 326 ? 5.725 -35.987 -56.316 1.00 86.62 ? 326 LEU B CA 1 ATOM 2947 C C . LEU B 2 326 ? 6.216 -35.011 -55.240 1.00 89.43 ? 326 LEU B C 1 ATOM 2948 O O . LEU B 2 326 ? 7.332 -34.495 -55.337 1.00 89.13 ? 326 LEU B O 1 ATOM 2949 C CB . LEU B 2 326 ? 6.442 -37.349 -56.193 1.00 86.11 ? 326 LEU B CB 1 ATOM 2950 C CG . LEU B 2 326 ? 6.187 -38.168 -54.918 1.00 89.68 ? 326 LEU B CG 1 ATOM 2951 C CD1 . LEU B 2 326 ? 4.886 -38.960 -55.013 1.00 90.20 ? 326 LEU B CD1 1 ATOM 2952 C CD2 . LEU B 2 326 ? 7.338 -39.116 -54.651 1.00 91.73 ? 326 LEU B CD2 1 ATOM 2953 N N . GLU B 2 327 ? 5.369 -34.757 -54.225 1.00 85.08 ? 327 GLU B N 1 ATOM 2954 C CA . GLU B 2 327 ? 5.671 -33.876 -53.095 1.00 84.03 ? 327 GLU B CA 1 ATOM 2955 C C . GLU B 2 327 ? 5.859 -34.734 -51.841 1.00 86.54 ? 327 GLU B C 1 ATOM 2956 O O . GLU B 2 327 ? 4.973 -35.520 -51.506 1.00 85.79 ? 327 GLU B O 1 ATOM 2957 C CB . GLU B 2 327 ? 4.548 -32.842 -52.894 1.00 85.62 ? 327 GLU B CB 1 ATOM 2958 C CG . GLU B 2 327 ? 4.930 -31.703 -51.963 1.00 95.54 ? 327 GLU B CG 1 ATOM 2959 C CD . GLU B 2 327 ? 3.768 -30.926 -51.379 1.00 115.75 ? 327 GLU B CD 1 ATOM 2960 O OE1 . GLU B 2 327 ? 2.956 -31.528 -50.639 1.00 109.52 ? 327 GLU B OE1 1 ATOM 2961 O OE2 . GLU B 2 327 ? 3.697 -29.700 -51.622 1.00 110.82 ? 327 GLU B OE2 1 ATOM 2962 N N . VAL B 2 328 ? 7.024 -34.608 -51.172 1.00 82.62 ? 328 VAL B N 1 ATOM 2963 C CA . VAL B 2 328 ? 7.369 -35.386 -49.973 1.00 81.64 ? 328 VAL B CA 1 ATOM 2964 C C . VAL B 2 328 ? 7.646 -34.458 -48.777 1.00 84.89 ? 328 VAL B C 1 ATOM 2965 O O . VAL B 2 328 ? 8.469 -33.549 -48.889 1.00 84.77 ? 328 VAL B O 1 ATOM 2966 C CB . VAL B 2 328 ? 8.560 -36.365 -50.220 1.00 85.68 ? 328 VAL B CB 1 ATOM 2967 C CG1 . VAL B 2 328 ? 8.744 -37.324 -49.046 1.00 85.01 ? 328 VAL B CG1 1 ATOM 2968 C CG2 . VAL B 2 328 ? 8.394 -37.149 -51.522 1.00 86.09 ? 328 VAL B CG2 1 ATOM 2969 N N . THR B 2 329 ? 6.977 -34.707 -47.634 1.00 80.73 ? 329 THR B N 1 ATOM 2970 C CA . THR B 2 329 ? 7.171 -33.938 -46.401 1.00 80.11 ? 329 THR B CA 1 ATOM 2971 C C . THR B 2 329 ? 7.767 -34.846 -45.320 1.00 83.61 ? 329 THR B C 1 ATOM 2972 O O . THR B 2 329 ? 7.156 -35.850 -44.944 1.00 83.12 ? 329 THR B O 1 ATOM 2973 C CB . THR B 2 329 ? 5.878 -33.216 -45.973 1.00 87.83 ? 329 THR B CB 1 ATOM 2974 O OG1 . THR B 2 329 ? 5.318 -32.540 -47.100 1.00 87.87 ? 329 THR B OG1 1 ATOM 2975 C CG2 . THR B 2 329 ? 6.110 -32.215 -44.842 1.00 86.09 ? 329 THR B CG2 1 ATOM 2976 N N . TRP B 2 330 ? 8.976 -34.498 -44.851 1.00 80.24 ? 330 TRP B N 1 ATOM 2977 C CA . TRP B 2 330 ? 9.714 -35.241 -43.832 1.00 80.21 ? 330 TRP B CA 1 ATOM 2978 C C . TRP B 2 330 ? 9.785 -34.425 -42.537 1.00 84.67 ? 330 TRP B C 1 ATOM 2979 O O . TRP B 2 330 ? 10.627 -33.535 -42.401 1.00 84.50 ? 330 TRP B O 1 ATOM 2980 C CB . TRP B 2 330 ? 11.105 -35.643 -44.374 1.00 79.22 ? 330 TRP B CB 1 ATOM 2981 C CG . TRP B 2 330 ? 12.070 -36.215 -43.373 1.00 80.49 ? 330 TRP B CG 1 ATOM 2982 C CD1 . TRP B 2 330 ? 13.285 -35.701 -43.026 1.00 83.89 ? 330 TRP B CD1 1 ATOM 2983 C CD2 . TRP B 2 330 ? 11.926 -37.439 -42.637 1.00 80.52 ? 330 TRP B CD2 1 ATOM 2984 N NE1 . TRP B 2 330 ? 13.903 -36.521 -42.111 1.00 83.86 ? 330 TRP B NE1 1 ATOM 2985 C CE2 . TRP B 2 330 ? 13.088 -37.591 -41.847 1.00 85.09 ? 330 TRP B CE2 1 ATOM 2986 C CE3 . TRP B 2 330 ? 10.918 -38.416 -42.552 1.00 81.64 ? 330 TRP B CE3 1 ATOM 2987 C CZ2 . TRP B 2 330 ? 13.272 -38.681 -40.988 1.00 85.05 ? 330 TRP B CZ2 1 ATOM 2988 C CZ3 . TRP B 2 330 ? 11.106 -39.499 -41.708 1.00 83.77 ? 330 TRP B CZ3 1 ATOM 2989 C CH2 . TRP B 2 330 ? 12.270 -39.624 -40.938 1.00 85.14 ? 330 TRP B CH2 1 ATOM 2990 N N . GLY B 2 331 ? 8.861 -34.719 -41.624 1.00 81.59 ? 331 GLY B N 1 ATOM 2991 C CA . GLY B 2 331 ? 8.743 -34.046 -40.335 1.00 81.76 ? 331 GLY B CA 1 ATOM 2992 C C . GLY B 2 331 ? 8.392 -32.579 -40.444 1.00 85.94 ? 331 GLY B C 1 ATOM 2993 O O . GLY B 2 331 ? 7.544 -32.201 -41.258 1.00 85.17 ? 331 GLY B O 1 ATOM 2994 N N . ASN B 2 332 ? 9.070 -31.741 -39.639 1.00 83.35 ? 332 ASN B N 1 ATOM 2995 C CA . ASN B 2 332 ? 8.861 -30.292 -39.596 1.00 83.34 ? 332 ASN B CA 1 ATOM 2996 C C . ASN B 2 332 ? 9.555 -29.513 -40.731 1.00 88.18 ? 332 ASN B C 1 ATOM 2997 O O . ASN B 2 332 ? 9.421 -28.288 -40.799 1.00 87.90 ? 332 ASN B O 1 ATOM 2998 C CB . ASN B 2 332 ? 9.213 -29.734 -38.209 1.00 84.46 ? 332 ASN B CB 1 ATOM 2999 C CG . ASN B 2 332 ? 8.337 -30.261 -37.096 1.00 106.14 ? 332 ASN B CG 1 ATOM 3000 O OD1 . ASN B 2 332 ? 7.103 -30.260 -37.177 1.00 100.00 ? 332 ASN B OD1 1 ATOM 3001 N ND2 . ASN B 2 332 ? 8.958 -30.701 -36.015 1.00 98.45 ? 332 ASN B ND2 1 ATOM 3002 N N . ASN B 2 333 ? 10.260 -30.223 -41.636 1.00 85.61 ? 333 ASN B N 1 ATOM 3003 C CA . ASN B 2 333 ? 10.943 -29.626 -42.788 1.00 86.28 ? 333 ASN B CA 1 ATOM 3004 C C . ASN B 2 333 ? 9.938 -29.208 -43.859 1.00 90.83 ? 333 ASN B C 1 ATOM 3005 O O . ASN B 2 333 ? 8.835 -29.761 -43.921 1.00 89.80 ? 333 ASN B O 1 ATOM 3006 C CB . ASN B 2 333 ? 11.939 -30.613 -43.404 1.00 87.12 ? 333 ASN B CB 1 ATOM 3007 C CG . ASN B 2 333 ? 13.079 -31.000 -42.505 1.00 109.44 ? 333 ASN B CG 1 ATOM 3008 O OD1 . ASN B 2 333 ? 13.988 -30.210 -42.231 1.00 104.12 ? 333 ASN B OD1 1 ATOM 3009 N ND2 . ASN B 2 333 ? 13.077 -32.248 -42.067 1.00 101.15 ? 333 ASN B ND2 1 ATOM 3010 N N . GLU B 2 334 ? 10.336 -28.252 -44.721 1.00 88.79 ? 334 GLU B N 1 ATOM 3011 C CA . GLU B 2 334 ? 9.524 -27.772 -45.842 1.00 89.18 ? 334 GLU B CA 1 ATOM 3012 C C . GLU B 2 334 ? 9.391 -28.901 -46.883 1.00 93.47 ? 334 GLU B C 1 ATOM 3013 O O . GLU B 2 334 ? 10.343 -29.672 -47.037 1.00 93.16 ? 334 GLU B O 1 ATOM 3014 C CB . GLU B 2 334 ? 10.148 -26.513 -46.474 1.00 91.86 ? 334 GLU B CB 1 ATOM 3015 C CG . GLU B 2 334 ? 10.108 -25.275 -45.588 1.00 103.00 ? 334 GLU B CG 1 ATOM 3016 C CD . GLU B 2 334 ? 8.728 -24.736 -45.259 1.00 123.82 ? 334 GLU B CD 1 ATOM 3017 O OE1 . GLU B 2 334 ? 8.001 -24.340 -46.198 1.00 120.34 ? 334 GLU B OE1 1 ATOM 3018 O OE2 . GLU B 2 334 ? 8.380 -24.696 -44.057 1.00 116.96 ? 334 GLU B OE2 1 ATOM 3019 N N . PRO B 2 335 ? 8.232 -29.054 -47.572 1.00 90.32 ? 335 PRO B N 1 ATOM 3020 C CA . PRO B 2 335 ? 8.083 -30.172 -48.525 1.00 90.35 ? 335 PRO B CA 1 ATOM 3021 C C . PRO B 2 335 ? 9.059 -30.190 -49.701 1.00 95.75 ? 335 PRO B C 1 ATOM 3022 O O . PRO B 2 335 ? 9.314 -29.149 -50.310 1.00 96.30 ? 335 PRO B O 1 ATOM 3023 C CB . PRO B 2 335 ? 6.631 -30.047 -48.999 1.00 92.12 ? 335 PRO B CB 1 ATOM 3024 C CG . PRO B 2 335 ? 6.268 -28.626 -48.749 1.00 96.84 ? 335 PRO B CG 1 ATOM 3025 C CD . PRO B 2 335 ? 6.990 -28.258 -47.492 1.00 91.84 ? 335 PRO B CD 1 ATOM 3026 N N . TYR B 2 336 ? 9.612 -31.382 -50.003 1.00 92.61 ? 336 TYR B N 1 ATOM 3027 C CA . TYR B 2 336 ? 10.529 -31.603 -51.124 1.00 93.52 ? 336 TYR B CA 1 ATOM 3028 C C . TYR B 2 336 ? 9.689 -31.945 -52.354 1.00 98.50 ? 336 TYR B C 1 ATOM 3029 O O . TYR B 2 336 ? 8.745 -32.731 -52.248 1.00 97.47 ? 336 TYR B O 1 ATOM 3030 C CB . TYR B 2 336 ? 11.512 -32.768 -50.855 1.00 94.29 ? 336 TYR B CB 1 ATOM 3031 C CG . TYR B 2 336 ? 12.123 -32.848 -49.470 1.00 95.48 ? 336 TYR B CG 1 ATOM 3032 C CD1 . TYR B 2 336 ? 12.955 -31.838 -48.993 1.00 97.97 ? 336 TYR B CD1 1 ATOM 3033 C CD2 . TYR B 2 336 ? 11.971 -33.988 -48.686 1.00 95.51 ? 336 TYR B CD2 1 ATOM 3034 C CE1 . TYR B 2 336 ? 13.553 -31.925 -47.735 1.00 98.47 ? 336 TYR B CE1 1 ATOM 3035 C CE2 . TYR B 2 336 ? 12.570 -34.091 -47.431 1.00 96.20 ? 336 TYR B CE2 1 ATOM 3036 C CZ . TYR B 2 336 ? 13.359 -33.056 -46.957 1.00 104.03 ? 336 TYR B CZ 1 ATOM 3037 O OH . TYR B 2 336 ? 13.951 -33.154 -45.720 1.00 105.00 ? 336 TYR B OH 1 ATOM 3038 N N . LYS B 2 337 ? 10.033 -31.370 -53.515 1.00 96.90 ? 337 LYS B N 1 ATOM 3039 C CA . LYS B 2 337 ? 9.317 -31.629 -54.766 1.00 97.85 ? 337 LYS B CA 1 ATOM 3040 C C . LYS B 2 337 ? 10.207 -32.356 -55.769 1.00 102.79 ? 337 LYS B C 1 ATOM 3041 O O . LYS B 2 337 ? 11.347 -31.943 -55.994 1.00 102.96 ? 337 LYS B O 1 ATOM 3042 C CB . LYS B 2 337 ? 8.737 -30.335 -55.354 1.00 101.81 ? 337 LYS B CB 1 ATOM 3043 C CG . LYS B 2 337 ? 7.473 -29.861 -54.650 1.00 115.95 ? 337 LYS B CG 1 ATOM 3044 C CD . LYS B 2 337 ? 6.954 -28.554 -55.237 1.00 127.85 ? 337 LYS B CD 1 ATOM 3045 C CE . LYS B 2 337 ? 5.674 -28.087 -54.585 1.00 138.56 ? 337 LYS B CE 1 ATOM 3046 N NZ . LYS B 2 337 ? 5.904 -27.528 -53.224 1.00 146.66 ? 337 LYS B NZ 1 ATOM 3047 N N . TYR B 2 338 ? 9.692 -33.454 -56.349 1.00 99.68 ? 338 TYR B N 1 ATOM 3048 C CA . TYR B 2 338 ? 10.419 -34.284 -57.313 1.00 100.29 ? 338 TYR B CA 1 ATOM 3049 C C . TYR B 2 338 ? 9.672 -34.423 -58.637 1.00 105.96 ? 338 TYR B C 1 ATOM 3050 O O . TYR B 2 338 ? 8.453 -34.602 -58.643 1.00 105.46 ? 338 TYR B O 1 ATOM 3051 C CB . TYR B 2 338 ? 10.720 -35.674 -56.723 1.00 100.22 ? 338 TYR B CB 1 ATOM 3052 C CG . TYR B 2 338 ? 11.510 -35.645 -55.431 1.00 100.93 ? 338 TYR B CG 1 ATOM 3053 C CD1 . TYR B 2 338 ? 12.893 -35.488 -55.439 1.00 103.14 ? 338 TYR B CD1 1 ATOM 3054 C CD2 . TYR B 2 338 ? 10.878 -35.806 -54.202 1.00 100.65 ? 338 TYR B CD2 1 ATOM 3055 C CE1 . TYR B 2 338 ? 13.626 -35.467 -54.253 1.00 103.12 ? 338 TYR B CE1 1 ATOM 3056 C CE2 . TYR B 2 338 ? 11.601 -35.791 -53.009 1.00 100.82 ? 338 TYR B CE2 1 ATOM 3057 C CZ . TYR B 2 338 ? 12.975 -35.620 -53.040 1.00 108.38 ? 338 TYR B CZ 1 ATOM 3058 O OH . TYR B 2 338 ? 13.694 -35.604 -51.869 1.00 108.68 ? 338 TYR B OH 1 ATOM 3059 N N . TRP B 2 339 ? 10.418 -34.354 -59.754 1.00 104.24 ? 339 TRP B N 1 ATOM 3060 C CA . TRP B 2 339 ? 9.901 -34.479 -61.119 1.00 105.90 ? 339 TRP B CA 1 ATOM 3061 C C . TRP B 2 339 ? 10.819 -35.375 -61.967 1.00 110.53 ? 339 TRP B C 1 ATOM 3062 O O . TRP B 2 339 ? 12.043 -35.263 -61.842 1.00 109.98 ? 339 TRP B O 1 ATOM 3063 C CB . TRP B 2 339 ? 9.791 -33.099 -61.785 1.00 106.60 ? 339 TRP B CB 1 ATOM 3064 C CG . TRP B 2 339 ? 8.624 -32.273 -61.336 1.00 107.62 ? 339 TRP B CG 1 ATOM 3065 C CD1 . TRP B 2 339 ? 7.339 -32.360 -61.783 1.00 111.29 ? 339 TRP B CD1 1 ATOM 3066 C CD2 . TRP B 2 339 ? 8.658 -31.170 -60.422 1.00 107.01 ? 339 TRP B CD2 1 ATOM 3067 N NE1 . TRP B 2 339 ? 6.560 -31.405 -61.173 1.00 110.66 ? 339 TRP B NE1 1 ATOM 3068 C CE2 . TRP B 2 339 ? 7.345 -30.658 -60.334 1.00 111.30 ? 339 TRP B CE2 1 ATOM 3069 C CE3 . TRP B 2 339 ? 9.670 -30.575 -59.649 1.00 107.67 ? 339 TRP B CE3 1 ATOM 3070 C CZ2 . TRP B 2 339 ? 7.017 -29.575 -59.509 1.00 110.31 ? 339 TRP B CZ2 1 ATOM 3071 C CZ3 . TRP B 2 339 ? 9.345 -29.501 -58.835 1.00 108.93 ? 339 TRP B CZ3 1 ATOM 3072 C CH2 . TRP B 2 339 ? 8.032 -29.017 -58.764 1.00 109.83 ? 339 TRP B CH2 1 ATOM 3073 N N . PRO B 2 340 ? 10.275 -36.243 -62.857 1.00 107.99 ? 340 PRO B N 1 ATOM 3074 C CA . PRO B 2 340 ? 11.158 -37.071 -63.699 1.00 108.36 ? 340 PRO B CA 1 ATOM 3075 C C . PRO B 2 340 ? 11.730 -36.283 -64.878 1.00 114.46 ? 340 PRO B C 1 ATOM 3076 O O . PRO B 2 340 ? 11.093 -35.341 -65.356 1.00 115.57 ? 340 PRO B O 1 ATOM 3077 C CB . PRO B 2 340 ? 10.248 -38.217 -64.171 1.00 110.24 ? 340 PRO B CB 1 ATOM 3078 C CG . PRO B 2 340 ? 8.879 -37.935 -63.599 1.00 114.36 ? 340 PRO B CG 1 ATOM 3079 C CD . PRO B 2 340 ? 8.857 -36.510 -63.159 1.00 110.08 ? 340 PRO B CD 1 ATOM 3080 N N . GLN B 2 341 ? 12.933 -36.667 -65.342 1.00 111.36 ? 341 GLN B N 1 ATOM 3081 C CA . GLN B 2 341 ? 13.612 -36.010 -66.461 1.00 113.44 ? 341 GLN B CA 1 ATOM 3082 C C . GLN B 2 341 ? 12.977 -36.368 -67.803 1.00 119.23 ? 341 GLN B C 1 ATOM 3083 O O . GLN B 2 341 ? 12.707 -37.542 -68.063 1.00 118.24 ? 341 GLN B O 1 ATOM 3084 C CB . GLN B 2 341 ? 15.114 -36.328 -66.464 1.00 114.47 ? 341 GLN B CB 1 ATOM 3085 C CG . GLN B 2 341 ? 15.897 -35.574 -65.399 1.00 129.07 ? 341 GLN B CG 1 ATOM 3086 C CD . GLN B 2 341 ? 17.237 -35.129 -65.916 1.00 149.88 ? 341 GLN B CD 1 ATOM 3087 O OE1 . GLN B 2 341 ? 17.351 -34.132 -66.638 1.00 147.70 ? 341 GLN B OE1 1 ATOM 3088 N NE2 . GLN B 2 341 ? 18.286 -35.848 -65.548 1.00 140.93 ? 341 GLN B NE2 1 ATOM 3089 N N . LEU B 2 342 ? 12.736 -35.348 -68.649 1.00 118.28 ? 342 LEU B N 1 ATOM 3090 C CA . LEU B 2 342 ? 12.128 -35.505 -69.972 1.00 152.14 ? 342 LEU B CA 1 ATOM 3091 C C . LEU B 2 342 ? 13.128 -36.100 -70.958 1.00 182.11 ? 342 LEU B C 1 ATOM 3092 O O . LEU B 2 342 ? 12.774 -36.988 -71.730 1.00 144.37 ? 342 LEU B O 1 ATOM 3093 C CB . LEU B 2 342 ? 11.610 -34.144 -70.491 1.00 154.81 ? 342 LEU B CB 1 ATOM 3094 C CG . LEU B 2 342 ? 10.207 -34.071 -71.147 1.00 161.32 ? 342 LEU B CG 1 ATOM 3095 C CD1 . LEU B 2 342 ? 10.147 -34.797 -72.491 1.00 163.64 ? 342 LEU B CD1 1 ATOM 3096 C CD2 . LEU B 2 342 ? 9.089 -34.496 -70.193 1.00 161.64 ? 342 LEU B CD2 1 ATOM 3097 N N . GLY C 3 22 ? 1.383 -0.429 -78.684 1.00 111.88 ? 0 GLY F N 1 ATOM 3098 C CA . GLY C 3 22 ? 1.524 -0.643 -80.119 1.00 112.39 ? 0 GLY F CA 1 ATOM 3099 C C . GLY C 3 22 ? 1.056 -2.041 -80.512 1.00 114.14 ? 0 GLY F C 1 ATOM 3100 O O . GLY C 3 22 ? -0.140 -2.248 -80.728 1.00 112.85 ? 0 GLY F O 1 ATOM 3101 N N . TYR C 3 23 ? 1.999 -2.997 -80.597 1.00 110.01 ? 1 TYR F N 1 ATOM 3102 C CA . TYR C 3 23 ? 1.719 -4.385 -80.968 1.00 108.09 ? 1 TYR F CA 1 ATOM 3103 C C . TYR C 3 23 ? 1.358 -5.244 -79.758 1.00 109.76 ? 1 TYR F C 1 ATOM 3104 O O . TYR C 3 23 ? 2.101 -5.278 -78.772 1.00 109.23 ? 1 TYR F O 1 ATOM 3105 C CB . TYR C 3 23 ? 2.900 -4.992 -81.751 1.00 109.92 ? 1 TYR F CB 1 ATOM 3106 C CG . TYR C 3 23 ? 2.700 -6.427 -82.196 1.00 110.15 ? 1 TYR F CG 1 ATOM 3107 C CD1 . TYR C 3 23 ? 3.286 -7.482 -81.501 1.00 111.11 ? 1 TYR F CD1 1 ATOM 3108 C CD2 . TYR C 3 23 ? 1.953 -6.730 -83.331 1.00 110.64 ? 1 TYR F CD2 1 ATOM 3109 C CE1 . TYR C 3 23 ? 3.110 -8.804 -81.907 1.00 110.68 ? 1 TYR F CE1 1 ATOM 3110 C CE2 . TYR C 3 23 ? 1.774 -8.048 -83.750 1.00 110.24 ? 1 TYR F CE2 1 ATOM 3111 C CZ . TYR C 3 23 ? 2.355 -9.083 -83.034 1.00 116.66 ? 1 TYR F CZ 1 ATOM 3112 O OH . TYR C 3 23 ? 2.184 -10.384 -83.441 1.00 116.45 ? 1 TYR F OH 1 ATOM 3113 N N . GLU C 3 24 ? 0.222 -5.953 -79.854 1.00 104.70 ? 2 GLU F N 1 ATOM 3114 C CA . GLU C 3 24 ? -0.265 -6.844 -78.807 1.00 102.75 ? 2 GLU F CA 1 ATOM 3115 C C . GLU C 3 24 ? 0.168 -8.280 -79.105 1.00 105.23 ? 2 GLU F C 1 ATOM 3116 O O . GLU C 3 24 ? -0.190 -8.837 -80.147 1.00 104.53 ? 2 GLU F O 1 ATOM 3117 C CB . GLU C 3 24 ? -1.796 -6.740 -78.664 1.00 103.56 ? 2 GLU F CB 1 ATOM 3118 C CG . GLU C 3 24 ? -2.353 -7.501 -77.469 1.00 112.66 ? 2 GLU F CG 1 ATOM 3119 C CD . GLU C 3 24 ? -3.842 -7.795 -77.489 1.00 131.48 ? 2 GLU F CD 1 ATOM 3120 O OE1 . GLU C 3 24 ? -4.470 -7.710 -76.410 1.00 124.67 ? 2 GLU F OE1 1 ATOM 3121 O OE2 . GLU C 3 24 ? -4.376 -8.144 -78.567 1.00 124.94 ? 2 GLU F OE2 1 ATOM 3122 N N . HIS C 3 25 ? 0.950 -8.864 -78.187 1.00 101.02 ? 3 HIS F N 1 ATOM 3123 C CA . HIS C 3 25 ? 1.432 -10.237 -78.283 1.00 99.93 ? 3 HIS F CA 1 ATOM 3124 C C . HIS C 3 25 ? 0.595 -11.113 -77.355 1.00 102.14 ? 3 HIS F C 1 ATOM 3125 O O . HIS C 3 25 ? 0.530 -10.853 -76.150 1.00 101.44 ? 3 HIS F O 1 ATOM 3126 C CB . HIS C 3 25 ? 2.929 -10.317 -77.936 1.00 101.40 ? 3 HIS F CB 1 ATOM 3127 C CG . HIS C 3 25 ? 3.488 -11.706 -77.975 1.00 104.23 ? 3 HIS F CG 1 ATOM 3128 N ND1 . HIS C 3 25 ? 3.805 -12.323 -79.172 1.00 106.32 ? 3 HIS F ND1 1 ATOM 3129 C CD2 . HIS C 3 25 ? 3.783 -12.548 -76.958 1.00 105.24 ? 3 HIS F CD2 1 ATOM 3130 C CE1 . HIS C 3 25 ? 4.273 -13.517 -78.847 1.00 105.26 ? 3 HIS F CE1 1 ATOM 3131 N NE2 . HIS C 3 25 ? 4.278 -13.698 -77.527 1.00 104.99 ? 3 HIS F NE2 1 ATOM 3132 N N . VAL C 3 26 ? -0.078 -12.122 -77.929 1.00 97.76 ? 4 VAL F N 1 ATOM 3133 C CA . VAL C 3 26 ? -0.932 -13.050 -77.185 1.00 96.43 ? 4 VAL F CA 1 ATOM 3134 C C . VAL C 3 26 ? -0.296 -14.441 -77.199 1.00 99.77 ? 4 VAL F C 1 ATOM 3135 O O . VAL C 3 26 ? 0.017 -14.971 -78.263 1.00 99.49 ? 4 VAL F O 1 ATOM 3136 C CB . VAL C 3 26 ? -2.405 -13.051 -77.696 1.00 99.98 ? 4 VAL F CB 1 ATOM 3137 C CG1 . VAL C 3 26 ? -3.276 -14.024 -76.902 1.00 98.99 ? 4 VAL F CG1 1 ATOM 3138 C CG2 . VAL C 3 26 ? -3.009 -11.648 -77.660 1.00 100.44 ? 4 VAL F CG2 1 ATOM 3139 N N . THR C 3 27 ? -0.071 -15.010 -76.011 1.00 95.91 ? 5 THR F N 1 ATOM 3140 C CA . THR C 3 27 ? 0.511 -16.344 -75.849 1.00 95.53 ? 5 THR F CA 1 ATOM 3141 C C . THR C 3 27 ? -0.142 -17.089 -74.690 1.00 98.85 ? 5 THR F C 1 ATOM 3142 O O . THR C 3 27 ? -0.776 -16.466 -73.838 1.00 98.18 ? 5 THR F O 1 ATOM 3143 C CB . THR C 3 27 ? 2.053 -16.305 -75.821 1.00 104.13 ? 5 THR F CB 1 ATOM 3144 O OG1 . THR C 3 27 ? 2.557 -17.637 -75.703 1.00 103.64 ? 5 THR F OG1 1 ATOM 3145 C CG2 . THR C 3 27 ? 2.606 -15.429 -74.708 1.00 102.87 ? 5 THR F CG2 1 ATOM 3146 N N . VAL C 3 28 ? -0.026 -18.425 -74.686 1.00 95.42 ? 6 VAL F N 1 ATOM 3147 C CA . VAL C 3 28 ? -0.614 -19.277 -73.654 1.00 94.99 ? 6 VAL F CA 1 ATOM 3148 C C . VAL C 3 28 ? 0.467 -20.185 -73.058 1.00 99.26 ? 6 VAL F C 1 ATOM 3149 O O . VAL C 3 28 ? 1.131 -20.920 -73.793 1.00 99.19 ? 6 VAL F O 1 ATOM 3150 C CB . VAL C 3 28 ? -1.842 -20.074 -74.185 1.00 98.69 ? 6 VAL F CB 1 ATOM 3151 C CG1 . VAL C 3 28 ? -2.374 -21.045 -73.136 1.00 98.52 ? 6 VAL F CG1 1 ATOM 3152 C CG2 . VAL C 3 28 ? -2.958 -19.142 -74.656 1.00 98.36 ? 6 VAL F CG2 1 ATOM 3153 N N . ILE C 3 29 ? 0.643 -20.116 -71.728 1.00 95.88 ? 7 ILE F N 1 ATOM 3154 C CA . ILE C 3 29 ? 1.611 -20.935 -70.993 1.00 96.17 ? 7 ILE F CA 1 ATOM 3155 C C . ILE C 3 29 ? 0.885 -21.860 -70.002 1.00 100.16 ? 7 ILE F C 1 ATOM 3156 O O . ILE C 3 29 ? -0.161 -21.457 -69.486 1.00 99.39 ? 7 ILE F O 1 ATOM 3157 C CB . ILE C 3 29 ? 2.738 -20.094 -70.314 1.00 99.56 ? 7 ILE F CB 1 ATOM 3158 C CG1 . ILE C 3 29 ? 2.197 -19.130 -69.228 1.00 99.56 ? 7 ILE F CG1 1 ATOM 3159 C CG2 . ILE C 3 29 ? 3.605 -19.374 -71.354 1.00 100.78 ? 7 ILE F CG2 1 ATOM 3160 C CD1 . ILE C 3 29 ? 3.130 -18.912 -68.027 1.00 107.06 ? 7 ILE F CD1 1 ATOM 3161 N N . PRO C 3 30 ? 1.393 -23.087 -69.710 1.00 97.43 ? 8 PRO F N 1 ATOM 3162 C CA . PRO C 3 30 ? 0.697 -23.947 -68.734 1.00 97.50 ? 8 PRO F CA 1 ATOM 3163 C C . PRO C 3 30 ? 0.757 -23.351 -67.330 1.00 101.33 ? 8 PRO F C 1 ATOM 3164 O O . PRO C 3 30 ? 1.732 -22.675 -66.992 1.00 100.84 ? 8 PRO F O 1 ATOM 3165 C CB . PRO C 3 30 ? 1.462 -25.277 -68.807 1.00 100.04 ? 8 PRO F CB 1 ATOM 3166 C CG . PRO C 3 30 ? 2.308 -25.192 -70.035 1.00 104.63 ? 8 PRO F CG 1 ATOM 3167 C CD . PRO C 3 30 ? 2.612 -23.745 -70.218 1.00 99.67 ? 8 PRO F CD 1 ATOM 3168 N N . ASN C 3 31 ? -0.292 -23.580 -66.523 1.00 98.03 ? 9 ASN F N 1 ATOM 3169 C CA . ASN C 3 31 ? -0.371 -23.066 -65.157 1.00 97.82 ? 9 ASN F CA 1 ATOM 3170 C C . ASN C 3 31 ? 0.549 -23.874 -64.224 1.00 102.44 ? 9 ASN F C 1 ATOM 3171 O O . ASN C 3 31 ? 0.084 -24.695 -63.432 1.00 102.55 ? 9 ASN F O 1 ATOM 3172 C CB . ASN C 3 31 ? -1.834 -23.024 -64.676 1.00 98.58 ? 9 ASN F CB 1 ATOM 3173 C CG . ASN C 3 31 ? -2.064 -22.363 -63.337 1.00 120.56 ? 9 ASN F CG 1 ATOM 3174 O OD1 . ASN C 3 31 ? -1.302 -21.501 -62.886 1.00 114.13 ? 9 ASN F OD1 1 ATOM 3175 N ND2 . ASN C 3 31 ? -3.147 -22.743 -62.679 1.00 113.07 ? 9 ASN F ND2 1 ATOM 3176 N N . THR C 3 32 ? 1.871 -23.656 -64.363 1.00 99.22 ? 10 THR F N 1 ATOM 3177 C CA . THR C 3 32 ? 2.914 -24.323 -63.580 1.00 99.78 ? 10 THR F CA 1 ATOM 3178 C C . THR C 3 32 ? 3.929 -23.281 -63.100 1.00 103.60 ? 10 THR F C 1 ATOM 3179 O O . THR C 3 32 ? 4.517 -22.564 -63.913 1.00 103.00 ? 10 THR F O 1 ATOM 3180 C CB . THR C 3 32 ? 3.548 -25.487 -64.374 1.00 108.56 ? 10 THR F CB 1 ATOM 3181 O OG1 . THR C 3 32 ? 2.517 -26.300 -64.940 1.00 108.41 ? 10 THR F OG1 1 ATOM 3182 C CG2 . THR C 3 32 ? 4.463 -26.356 -63.515 1.00 107.99 ? 10 THR F CG2 1 ATOM 3183 N N . VAL C 3 33 ? 4.108 -23.199 -61.773 1.00 100.45 ? 11 VAL F N 1 ATOM 3184 C CA . VAL C 3 33 ? 5.003 -22.261 -61.090 1.00 100.18 ? 11 VAL F CA 1 ATOM 3185 C C . VAL C 3 33 ? 6.456 -22.784 -61.082 1.00 105.05 ? 11 VAL F C 1 ATOM 3186 O O . VAL C 3 33 ? 6.681 -23.984 -60.915 1.00 105.33 ? 11 VAL F O 1 ATOM 3187 C CB . VAL C 3 33 ? 4.438 -21.927 -59.671 1.00 103.82 ? 11 VAL F CB 1 ATOM 3188 C CG1 . VAL C 3 33 ? 5.474 -21.269 -58.760 1.00 103.62 ? 11 VAL F CG1 1 ATOM 3189 C CG2 . VAL C 3 33 ? 3.184 -21.061 -59.769 1.00 102.94 ? 11 VAL F CG2 1 ATOM 3190 N N . GLY C 3 34 ? 7.408 -21.872 -61.291 1.00 101.88 ? 12 GLY F N 1 ATOM 3191 C CA . GLY C 3 34 ? 8.839 -22.160 -61.289 1.00 102.80 ? 12 GLY F CA 1 ATOM 3192 C C . GLY C 3 34 ? 9.405 -22.716 -62.581 1.00 107.72 ? 12 GLY F C 1 ATOM 3193 O O . GLY C 3 34 ? 10.495 -23.294 -62.571 1.00 108.42 ? 12 GLY F O 1 ATOM 3194 N N . VAL C 3 35 ? 8.674 -22.552 -63.701 1.00 104.00 ? 13 VAL F N 1 ATOM 3195 C CA . VAL C 3 35 ? 9.106 -23.032 -65.019 1.00 104.59 ? 13 VAL F CA 1 ATOM 3196 C C . VAL C 3 35 ? 9.236 -21.837 -65.990 1.00 108.41 ? 13 VAL F C 1 ATOM 3197 O O . VAL C 3 35 ? 8.218 -21.235 -66.338 1.00 107.03 ? 13 VAL F O 1 ATOM 3198 C CB . VAL C 3 35 ? 8.203 -24.169 -65.589 1.00 108.42 ? 13 VAL F CB 1 ATOM 3199 C CG1 . VAL C 3 35 ? 8.755 -24.705 -66.909 1.00 109.05 ? 13 VAL F CG1 1 ATOM 3200 C CG2 . VAL C 3 35 ? 8.029 -25.308 -64.586 1.00 108.69 ? 13 VAL F CG2 1 ATOM 3201 N N . PRO C 3 36 ? 10.463 -21.469 -66.435 1.00 106.19 ? 14 PRO F N 1 ATOM 3202 C CA . PRO C 3 36 ? 10.591 -20.335 -67.368 1.00 106.12 ? 14 PRO F CA 1 ATOM 3203 C C . PRO C 3 36 ? 10.224 -20.723 -68.801 1.00 110.15 ? 14 PRO F C 1 ATOM 3204 O O . PRO C 3 36 ? 10.721 -21.728 -69.316 1.00 110.54 ? 14 PRO F O 1 ATOM 3205 C CB . PRO C 3 36 ? 12.066 -19.917 -67.238 1.00 109.29 ? 14 PRO F CB 1 ATOM 3206 C CG . PRO C 3 36 ? 12.685 -20.861 -66.225 1.00 114.27 ? 14 PRO F CG 1 ATOM 3207 C CD . PRO C 3 36 ? 11.784 -22.046 -66.124 1.00 109.15 ? 14 PRO F CD 1 ATOM 3208 N N . TYR C 3 37 ? 9.337 -19.934 -69.436 1.00 106.00 ? 15 TYR F N 1 ATOM 3209 C CA . TYR C 3 37 ? 8.874 -20.160 -70.809 1.00 105.82 ? 15 TYR F CA 1 ATOM 3210 C C . TYR C 3 37 ? 9.342 -19.047 -71.748 1.00 110.35 ? 15 TYR F C 1 ATOM 3211 O O . TYR C 3 37 ? 9.271 -17.871 -71.389 1.00 109.74 ? 15 TYR F O 1 ATOM 3212 C CB . TYR C 3 37 ? 7.339 -20.295 -70.863 1.00 105.73 ? 15 TYR F CB 1 ATOM 3213 C CG . TYR C 3 37 ? 6.770 -21.392 -69.988 1.00 107.07 ? 15 TYR F CG 1 ATOM 3214 C CD1 . TYR C 3 37 ? 6.860 -22.729 -70.363 1.00 109.51 ? 15 TYR F CD1 1 ATOM 3215 C CD2 . TYR C 3 37 ? 6.093 -21.089 -68.810 1.00 107.11 ? 15 TYR F CD2 1 ATOM 3216 C CE1 . TYR C 3 37 ? 6.327 -23.742 -69.567 1.00 110.16 ? 15 TYR F CE1 1 ATOM 3217 C CE2 . TYR C 3 37 ? 5.551 -22.093 -68.008 1.00 107.84 ? 15 TYR F CE2 1 ATOM 3218 C CZ . TYR C 3 37 ? 5.676 -23.419 -68.387 1.00 115.84 ? 15 TYR F CZ 1 ATOM 3219 O OH . TYR C 3 37 ? 5.140 -24.412 -67.602 1.00 116.87 ? 15 TYR F OH 1 ATOM 3220 N N . LYS C 3 38 ? 9.809 -19.421 -72.954 1.00 107.80 ? 16 LYS F N 1 ATOM 3221 C CA . LYS C 3 38 ? 10.299 -18.482 -73.969 1.00 108.57 ? 16 LYS F CA 1 ATOM 3222 C C . LYS C 3 38 ? 9.238 -18.213 -75.033 1.00 111.58 ? 16 LYS F C 1 ATOM 3223 O O . LYS C 3 38 ? 8.653 -19.157 -75.571 1.00 110.59 ? 16 LYS F O 1 ATOM 3224 C CB . LYS C 3 38 ? 11.594 -19.002 -74.620 1.00 112.93 ? 16 LYS F CB 1 ATOM 3225 C CG . LYS C 3 38 ? 12.771 -19.116 -73.659 1.00 129.01 ? 16 LYS F CG 1 ATOM 3226 C CD . LYS C 3 38 ? 13.739 -17.941 -73.781 1.00 140.83 ? 16 LYS F CD 1 ATOM 3227 C CE . LYS C 3 38 ? 14.464 -17.633 -72.489 1.00 152.53 ? 16 LYS F CE 1 ATOM 3228 N NZ . LYS C 3 38 ? 15.243 -18.789 -71.966 1.00 162.72 ? 16 LYS F NZ 1 ATOM 3229 N N . THR C 3 39 ? 8.992 -16.924 -75.334 1.00 108.18 ? 17 THR F N 1 ATOM 3230 C CA . THR C 3 39 ? 8.012 -16.502 -76.338 1.00 107.43 ? 17 THR F CA 1 ATOM 3231 C C . THR C 3 39 ? 8.611 -15.550 -77.382 1.00 112.60 ? 17 THR F C 1 ATOM 3232 O O . THR C 3 39 ? 9.291 -14.586 -77.022 1.00 113.11 ? 17 THR F O 1 ATOM 3233 C CB . THR C 3 39 ? 6.684 -16.044 -75.691 1.00 113.99 ? 17 THR F CB 1 ATOM 3234 O OG1 . THR C 3 39 ? 5.690 -15.907 -76.705 1.00 112.96 ? 17 THR F OG1 1 ATOM 3235 C CG2 . THR C 3 39 ? 6.809 -14.741 -74.888 1.00 112.85 ? 17 THR F CG2 1 ATOM 3236 N N . LEU C 3 40 ? 8.379 -15.844 -78.674 1.00 109.34 ? 18 LEU F N 1 ATOM 3237 C CA . LEU C 3 40 ? 8.885 -15.030 -79.779 1.00 110.61 ? 18 LEU F CA 1 ATOM 3238 C C . LEU C 3 40 ? 7.828 -14.040 -80.266 1.00 113.85 ? 18 LEU F C 1 ATOM 3239 O O . LEU C 3 40 ? 6.756 -14.445 -80.723 1.00 112.23 ? 18 LEU F O 1 ATOM 3240 C CB . LEU C 3 40 ? 9.416 -15.915 -80.931 1.00 111.53 ? 18 LEU F CB 1 ATOM 3241 C CG . LEU C 3 40 ? 10.031 -15.206 -82.155 1.00 118.10 ? 18 LEU F CG 1 ATOM 3242 C CD1 . LEU C 3 40 ? 11.392 -14.597 -81.833 1.00 120.36 ? 18 LEU F CD1 1 ATOM 3243 C CD2 . LEU C 3 40 ? 10.168 -16.163 -83.319 1.00 120.94 ? 18 LEU F CD2 1 ATOM 3244 N N . VAL C 3 41 ? 8.138 -12.741 -80.146 1.00 111.38 ? 19 VAL F N 1 ATOM 3245 C CA . VAL C 3 41 ? 7.274 -11.639 -80.570 1.00 111.13 ? 19 VAL F CA 1 ATOM 3246 C C . VAL C 3 41 ? 7.705 -11.242 -81.982 1.00 116.38 ? 19 VAL F C 1 ATOM 3247 O O . VAL C 3 41 ? 8.813 -10.731 -82.165 1.00 117.82 ? 19 VAL F O 1 ATOM 3248 C CB . VAL C 3 41 ? 7.313 -10.436 -79.581 1.00 115.42 ? 19 VAL F CB 1 ATOM 3249 C CG1 . VAL C 3 41 ? 6.388 -9.309 -80.041 1.00 115.42 ? 19 VAL F CG1 1 ATOM 3250 C CG2 . VAL C 3 41 ? 6.966 -10.872 -78.158 1.00 113.79 ? 19 VAL F CG2 1 ATOM 3251 N N . ASN C 3 42 ? 6.843 -11.508 -82.977 1.00 112.16 ? 20 ASN F N 1 ATOM 3252 C CA . ASN C 3 42 ? 7.127 -11.196 -84.375 1.00 113.29 ? 20 ASN F CA 1 ATOM 3253 C C . ASN C 3 42 ? 6.142 -10.179 -84.955 1.00 116.89 ? 20 ASN F C 1 ATOM 3254 O O . ASN C 3 42 ? 5.043 -10.542 -85.386 1.00 115.15 ? 20 ASN F O 1 ATOM 3255 C CB . ASN C 3 42 ? 7.202 -12.475 -85.224 1.00 113.84 ? 20 ASN F CB 1 ATOM 3256 C CG . ASN C 3 42 ? 7.693 -12.247 -86.634 1.00 138.55 ? 20 ASN F CG 1 ATOM 3257 O OD1 . ASN C 3 42 ? 8.869 -11.949 -86.871 1.00 134.72 ? 20 ASN F OD1 1 ATOM 3258 N ND2 . ASN C 3 42 ? 6.801 -12.394 -87.602 1.00 129.93 ? 20 ASN F ND2 1 ATOM 3259 N N . ARG C 3 43 ? 6.542 -8.898 -84.944 1.00 114.84 ? 21 ARG F N 1 ATOM 3260 C CA . ARG C 3 43 ? 5.757 -7.795 -85.494 1.00 115.11 ? 21 ARG F CA 1 ATOM 3261 C C . ARG C 3 43 ? 6.170 -7.640 -86.972 1.00 120.18 ? 21 ARG F C 1 ATOM 3262 O O . ARG C 3 43 ? 7.368 -7.500 -87.240 1.00 121.60 ? 21 ARG F O 1 ATOM 3263 C CB . ARG C 3 43 ? 6.010 -6.500 -84.700 1.00 116.72 ? 21 ARG F CB 1 ATOM 3264 C CG . ARG C 3 43 ? 5.004 -5.389 -84.981 1.00 128.14 ? 21 ARG F CG 1 ATOM 3265 C CD . ARG C 3 43 ? 5.411 -4.090 -84.316 1.00 140.68 ? 21 ARG F CD 1 ATOM 3266 N NE . ARG C 3 43 ? 4.472 -3.007 -84.612 1.00 150.98 ? 21 ARG F NE 1 ATOM 3267 C CZ . ARG C 3 43 ? 4.647 -1.741 -84.247 1.00 167.52 ? 21 ARG F CZ 1 ATOM 3268 N NH1 . ARG C 3 43 ? 5.731 -1.381 -83.570 1.00 156.24 ? 21 ARG F NH1 1 ATOM 3269 N NH2 . ARG C 3 43 ? 3.742 -0.824 -84.558 1.00 155.23 ? 21 ARG F NH2 1 ATOM 3270 N N . PRO C 3 44 ? 5.220 -7.708 -87.942 1.00 115.84 ? 22 PRO F N 1 ATOM 3271 C CA . PRO C 3 44 ? 5.606 -7.602 -89.365 1.00 117.07 ? 22 PRO F CA 1 ATOM 3272 C C . PRO C 3 44 ? 6.317 -6.299 -89.727 1.00 123.16 ? 22 PRO F C 1 ATOM 3273 O O . PRO C 3 44 ? 5.835 -5.214 -89.395 1.00 123.28 ? 22 PRO F O 1 ATOM 3274 C CB . PRO C 3 44 ? 4.277 -7.769 -90.113 1.00 117.59 ? 22 PRO F CB 1 ATOM 3275 C CG . PRO C 3 44 ? 3.366 -8.439 -89.142 1.00 119.68 ? 22 PRO F CG 1 ATOM 3276 C CD . PRO C 3 44 ? 3.763 -7.903 -87.803 1.00 115.43 ? 22 PRO F CD 1 ATOM 3277 N N . GLY C 3 45 ? 7.477 -6.436 -90.368 1.00 121.19 ? 23 GLY F N 1 ATOM 3278 C CA . GLY C 3 45 ? 8.326 -5.323 -90.781 1.00 123.85 ? 23 GLY F CA 1 ATOM 3279 C C . GLY C 3 45 ? 9.246 -4.806 -89.691 1.00 128.28 ? 23 GLY F C 1 ATOM 3280 O O . GLY C 3 45 ? 9.907 -3.781 -89.876 1.00 130.49 ? 23 GLY F O 1 ATOM 3281 N N . TYR C 3 46 ? 9.292 -5.513 -88.544 1.00 122.52 ? 24 TYR F N 1 ATOM 3282 C CA . TYR C 3 46 ? 10.105 -5.163 -87.378 1.00 122.78 ? 24 TYR F CA 1 ATOM 3283 C C . TYR C 3 46 ? 10.902 -6.367 -86.884 1.00 125.30 ? 24 TYR F C 1 ATOM 3284 O O . TYR C 3 46 ? 10.458 -7.507 -87.047 1.00 122.91 ? 24 TYR F O 1 ATOM 3285 C CB . TYR C 3 46 ? 9.215 -4.620 -86.246 1.00 122.36 ? 24 TYR F CB 1 ATOM 3286 C CG . TYR C 3 46 ? 8.544 -3.300 -86.561 1.00 125.20 ? 24 TYR F CG 1 ATOM 3287 C CD1 . TYR C 3 46 ? 9.113 -2.094 -86.165 1.00 129.36 ? 24 TYR F CD1 1 ATOM 3288 C CD2 . TYR C 3 46 ? 7.322 -3.258 -87.226 1.00 124.94 ? 24 TYR F CD2 1 ATOM 3289 C CE1 . TYR C 3 46 ? 8.488 -0.877 -86.433 1.00 131.36 ? 24 TYR F CE1 1 ATOM 3290 C CE2 . TYR C 3 46 ? 6.692 -2.047 -87.508 1.00 127.05 ? 24 TYR F CE2 1 ATOM 3291 C CZ . TYR C 3 46 ? 7.279 -0.858 -87.108 1.00 136.72 ? 24 TYR F CZ 1 ATOM 3292 O OH . TYR C 3 46 ? 6.662 0.339 -87.380 1.00 139.13 ? 24 TYR F OH 1 ATOM 3293 N N . SER C 3 47 ? 12.070 -6.105 -86.266 1.00 123.11 ? 25 SER F N 1 ATOM 3294 C CA . SER C 3 47 ? 12.975 -7.124 -85.729 1.00 122.58 ? 25 SER F CA 1 ATOM 3295 C C . SER C 3 47 ? 12.324 -7.958 -84.607 1.00 123.05 ? 25 SER F C 1 ATOM 3296 O O . SER C 3 47 ? 11.672 -7.386 -83.729 1.00 121.43 ? 25 SER F O 1 ATOM 3297 C CB . SER C 3 47 ? 14.270 -6.485 -85.238 1.00 128.69 ? 25 SER F CB 1 ATOM 3298 O OG . SER C 3 47 ? 15.250 -7.465 -84.935 1.00 137.76 ? 25 SER F OG 1 ATOM 3299 N N . PRO C 3 48 ? 12.492 -9.306 -84.628 1.00 118.23 ? 26 PRO F N 1 ATOM 3300 C CA . PRO C 3 48 ? 11.879 -10.157 -83.588 1.00 115.31 ? 26 PRO F CA 1 ATOM 3301 C C . PRO C 3 48 ? 12.342 -9.860 -82.162 1.00 118.64 ? 26 PRO F C 1 ATOM 3302 O O . PRO C 3 48 ? 13.446 -9.354 -81.962 1.00 120.23 ? 26 PRO F O 1 ATOM 3303 C CB . PRO C 3 48 ? 12.266 -11.576 -84.020 1.00 116.81 ? 26 PRO F CB 1 ATOM 3304 C CG . PRO C 3 48 ? 12.559 -11.463 -85.475 1.00 122.97 ? 26 PRO F CG 1 ATOM 3305 C CD . PRO C 3 48 ? 13.212 -10.129 -85.619 1.00 120.97 ? 26 PRO F CD 1 ATOM 3306 N N . MET C 3 49 ? 11.481 -10.168 -81.176 1.00 112.62 ? 27 MET F N 1 ATOM 3307 C CA . MET C 3 49 ? 11.720 -9.937 -79.749 1.00 111.79 ? 27 MET F CA 1 ATOM 3308 C C . MET C 3 49 ? 11.466 -11.219 -78.943 1.00 113.27 ? 27 MET F C 1 ATOM 3309 O O . MET C 3 49 ? 10.427 -11.854 -79.123 1.00 111.10 ? 27 MET F O 1 ATOM 3310 C CB . MET C 3 49 ? 10.805 -8.802 -79.255 1.00 113.47 ? 27 MET F CB 1 ATOM 3311 C CG . MET C 3 49 ? 11.161 -8.269 -77.881 1.00 117.13 ? 27 MET F CG 1 ATOM 3312 S SD . MET C 3 49 ? 9.908 -7.132 -77.239 1.00 120.31 ? 27 MET F SD 1 ATOM 3313 C CE . MET C 3 49 ? 10.310 -5.644 -78.157 1.00 119.64 ? 27 MET F CE 1 ATOM 3314 N N . VAL C 3 50 ? 12.403 -11.589 -78.050 1.00 109.94 ? 28 VAL F N 1 ATOM 3315 C CA . VAL C 3 50 ? 12.274 -12.792 -77.213 1.00 108.12 ? 28 VAL F CA 1 ATOM 3316 C C . VAL C 3 50 ? 12.036 -12.410 -75.755 1.00 110.42 ? 28 VAL F C 1 ATOM 3317 O O . VAL C 3 50 ? 12.840 -11.683 -75.166 1.00 111.13 ? 28 VAL F O 1 ATOM 3318 C CB . VAL C 3 50 ? 13.459 -13.783 -77.376 1.00 113.36 ? 28 VAL F CB 1 ATOM 3319 C CG1 . VAL C 3 50 ? 13.225 -15.075 -76.585 1.00 111.76 ? 28 VAL F CG1 1 ATOM 3320 C CG2 . VAL C 3 50 ? 13.705 -14.095 -78.844 1.00 114.36 ? 28 VAL F CG2 1 ATOM 3321 N N . LEU C 3 51 ? 10.932 -12.912 -75.180 1.00 104.47 ? 29 LEU F N 1 ATOM 3322 C CA . LEU C 3 51 ? 10.556 -12.657 -73.790 1.00 102.93 ? 29 LEU F CA 1 ATOM 3323 C C . LEU C 3 51 ? 10.497 -13.951 -72.980 1.00 105.21 ? 29 LEU F C 1 ATOM 3324 O O . LEU C 3 51 ? 9.887 -14.926 -73.423 1.00 103.91 ? 29 LEU F O 1 ATOM 3325 C CB . LEU C 3 51 ? 9.197 -11.924 -73.712 1.00 101.77 ? 29 LEU F CB 1 ATOM 3326 C CG . LEU C 3 51 ? 9.109 -10.514 -74.314 1.00 107.49 ? 29 LEU F CG 1 ATOM 3327 C CD1 . LEU C 3 51 ? 7.665 -10.086 -74.473 1.00 106.52 ? 29 LEU F CD1 1 ATOM 3328 C CD2 . LEU C 3 51 ? 9.859 -9.496 -73.468 1.00 110.96 ? 29 LEU F CD2 1 ATOM 3329 N N . GLU C 3 52 ? 11.137 -13.958 -71.797 1.00 101.54 ? 30 GLU F N 1 ATOM 3330 C CA . GLU C 3 52 ? 11.119 -15.098 -70.877 1.00 100.34 ? 30 GLU F CA 1 ATOM 3331 C C . GLU C 3 52 ? 10.072 -14.808 -69.803 1.00 101.92 ? 30 GLU F C 1 ATOM 3332 O O . GLU C 3 52 ? 10.125 -13.754 -69.167 1.00 101.54 ? 30 GLU F O 1 ATOM 3333 C CB . GLU C 3 52 ? 12.506 -15.347 -70.248 1.00 103.02 ? 30 GLU F CB 1 ATOM 3334 C CG . GLU C 3 52 ? 12.576 -16.591 -69.372 1.00 113.23 ? 30 GLU F CG 1 ATOM 3335 C CD . GLU C 3 52 ? 13.897 -16.814 -68.662 1.00 135.43 ? 30 GLU F CD 1 ATOM 3336 O OE1 . GLU C 3 52 ? 14.183 -16.078 -67.690 1.00 130.62 ? 30 GLU F OE1 1 ATOM 3337 O OE2 . GLU C 3 52 ? 14.630 -17.749 -69.055 1.00 130.42 ? 30 GLU F OE2 1 ATOM 3338 N N . MET C 3 53 ? 9.108 -15.727 -69.624 1.00 96.64 ? 31 MET F N 1 ATOM 3339 C CA . MET C 3 53 ? 8.034 -15.578 -68.639 1.00 94.84 ? 31 MET F CA 1 ATOM 3340 C C . MET C 3 53 ? 8.038 -16.732 -67.646 1.00 97.15 ? 31 MET F C 1 ATOM 3341 O O . MET C 3 53 ? 8.137 -17.892 -68.050 1.00 96.85 ? 31 MET F O 1 ATOM 3342 C CB . MET C 3 53 ? 6.659 -15.474 -69.317 1.00 96.38 ? 31 MET F CB 1 ATOM 3343 C CG . MET C 3 53 ? 6.530 -14.318 -70.295 1.00 100.57 ? 31 MET F CG 1 ATOM 3344 S SD . MET C 3 53 ? 4.882 -14.192 -71.033 1.00 103.93 ? 31 MET F SD 1 ATOM 3345 C CE . MET C 3 53 ? 4.758 -15.781 -71.829 1.00 100.38 ? 31 MET F CE 1 ATOM 3346 N N . GLU C 3 54 ? 7.920 -16.412 -66.347 1.00 92.44 ? 32 GLU F N 1 ATOM 3347 C CA . GLU C 3 54 ? 7.905 -17.402 -65.272 1.00 91.56 ? 32 GLU F CA 1 ATOM 3348 C C . GLU C 3 54 ? 6.874 -17.036 -64.207 1.00 93.15 ? 32 GLU F C 1 ATOM 3349 O O . GLU C 3 54 ? 6.902 -15.921 -63.679 1.00 92.51 ? 32 GLU F O 1 ATOM 3350 C CB . GLU C 3 54 ? 9.305 -17.533 -64.643 1.00 93.90 ? 32 GLU F CB 1 ATOM 3351 C CG . GLU C 3 54 ? 9.499 -18.787 -63.805 1.00 104.97 ? 32 GLU F CG 1 ATOM 3352 C CD . GLU C 3 54 ? 10.573 -18.695 -62.737 1.00 126.65 ? 32 GLU F CD 1 ATOM 3353 O OE1 . GLU C 3 54 ? 11.712 -18.288 -63.061 1.00 122.63 ? 32 GLU F OE1 1 ATOM 3354 O OE2 . GLU C 3 54 ? 10.279 -19.058 -61.576 1.00 120.47 ? 32 GLU F OE2 1 ATOM 3355 N N . LEU C 3 55 ? 5.966 -17.977 -63.895 1.00 88.28 ? 33 LEU F N 1 ATOM 3356 C CA . LEU C 3 55 ? 4.953 -17.776 -62.862 1.00 86.94 ? 33 LEU F CA 1 ATOM 3357 C C . LEU C 3 55 ? 5.602 -17.951 -61.496 1.00 89.47 ? 33 LEU F C 1 ATOM 3358 O O . LEU C 3 55 ? 6.163 -19.011 -61.208 1.00 89.40 ? 33 LEU F O 1 ATOM 3359 C CB . LEU C 3 55 ? 3.759 -18.734 -63.036 1.00 86.78 ? 33 LEU F CB 1 ATOM 3360 C CG . LEU C 3 55 ? 2.692 -18.317 -64.050 1.00 91.21 ? 33 LEU F CG 1 ATOM 3361 C CD1 . LEU C 3 55 ? 1.821 -19.498 -64.437 1.00 91.49 ? 33 LEU F CD1 1 ATOM 3362 C CD2 . LEU C 3 55 ? 1.826 -17.179 -63.514 1.00 93.24 ? 33 LEU F CD2 1 ATOM 3363 N N . LEU C 3 56 ? 5.581 -16.885 -60.685 1.00 84.72 ? 34 LEU F N 1 ATOM 3364 C CA . LEU C 3 56 ? 6.169 -16.881 -59.346 1.00 84.11 ? 34 LEU F CA 1 ATOM 3365 C C . LEU C 3 56 ? 5.188 -17.448 -58.317 1.00 86.42 ? 34 LEU F C 1 ATOM 3366 O O . LEU C 3 56 ? 5.609 -18.175 -57.415 1.00 86.20 ? 34 LEU F O 1 ATOM 3367 C CB . LEU C 3 56 ? 6.652 -15.470 -58.948 1.00 84.10 ? 34 LEU F CB 1 ATOM 3368 C CG . LEU C 3 56 ? 7.720 -14.813 -59.849 1.00 89.50 ? 34 LEU F CG 1 ATOM 3369 C CD1 . LEU C 3 56 ? 7.840 -13.332 -59.560 1.00 89.70 ? 34 LEU F CD1 1 ATOM 3370 C CD2 . LEU C 3 56 ? 9.084 -15.489 -59.706 1.00 92.79 ? 34 LEU F CD2 1 ATOM 3371 N N . SER C 3 57 ? 3.881 -17.123 -58.465 1.00 81.60 ? 35 SER F N 1 ATOM 3372 C CA . SER C 3 57 ? 2.778 -17.591 -57.615 1.00 80.84 ? 35 SER F CA 1 ATOM 3373 C C . SER C 3 57 ? 1.414 -17.349 -58.262 1.00 83.34 ? 35 SER F C 1 ATOM 3374 O O . SER C 3 57 ? 1.220 -16.330 -58.929 1.00 82.67 ? 35 SER F O 1 ATOM 3375 C CB . SER C 3 57 ? 2.819 -16.937 -56.235 1.00 84.15 ? 35 SER F CB 1 ATOM 3376 O OG . SER C 3 57 ? 2.569 -15.543 -56.297 1.00 92.51 ? 35 SER F OG 1 ATOM 3377 N N . VAL C 3 58 ? 0.474 -18.291 -58.058 1.00 79.22 ? 36 VAL F N 1 ATOM 3378 C CA . VAL C 3 58 ? -0.907 -18.222 -58.552 1.00 78.62 ? 36 VAL F CA 1 ATOM 3379 C C . VAL C 3 58 ? -1.809 -18.427 -57.330 1.00 81.56 ? 36 VAL F C 1 ATOM 3380 O O . VAL C 3 58 ? -1.803 -19.508 -56.736 1.00 81.64 ? 36 VAL F O 1 ATOM 3381 C CB . VAL C 3 58 ? -1.206 -19.229 -59.704 1.00 82.78 ? 36 VAL F CB 1 ATOM 3382 C CG1 . VAL C 3 58 ? -2.655 -19.118 -60.177 1.00 82.79 ? 36 VAL F CG1 1 ATOM 3383 C CG2 . VAL C 3 58 ? -0.250 -19.033 -60.878 1.00 82.29 ? 36 VAL F CG2 1 ATOM 3384 N N . THR C 3 59 ? -2.546 -17.375 -56.938 1.00 77.01 ? 37 THR F N 1 ATOM 3385 C CA . THR C 3 59 ? -3.415 -17.374 -55.758 1.00 76.82 ? 37 THR F CA 1 ATOM 3386 C C . THR C 3 59 ? -4.906 -17.436 -56.113 1.00 80.02 ? 37 THR F C 1 ATOM 3387 O O . THR C 3 59 ? -5.383 -16.642 -56.925 1.00 79.40 ? 37 THR F O 1 ATOM 3388 C CB . THR C 3 59 ? -3.043 -16.182 -54.849 1.00 84.49 ? 37 THR F CB 1 ATOM 3389 O OG1 . THR C 3 59 ? -1.654 -16.262 -54.520 1.00 83.51 ? 37 THR F OG1 1 ATOM 3390 C CG2 . THR C 3 59 ? -3.875 -16.117 -53.569 1.00 83.83 ? 37 THR F CG2 1 ATOM 3391 N N . LEU C 3 60 ? -5.633 -18.380 -55.482 1.00 76.50 ? 38 LEU F N 1 ATOM 3392 C CA . LEU C 3 60 ? -7.077 -18.570 -55.639 1.00 76.83 ? 38 LEU F CA 1 ATOM 3393 C C . LEU C 3 60 ? -7.736 -18.305 -54.281 1.00 80.15 ? 38 LEU F C 1 ATOM 3394 O O . LEU C 3 60 ? -7.770 -19.192 -53.424 1.00 80.47 ? 38 LEU F O 1 ATOM 3395 C CB . LEU C 3 60 ? -7.411 -19.995 -56.137 1.00 77.63 ? 38 LEU F CB 1 ATOM 3396 C CG . LEU C 3 60 ? -6.975 -20.383 -57.550 1.00 81.76 ? 38 LEU F CG 1 ATOM 3397 C CD1 . LEU C 3 60 ? -6.849 -21.889 -57.678 1.00 82.64 ? 38 LEU F CD1 1 ATOM 3398 C CD2 . LEU C 3 60 ? -7.949 -19.858 -58.596 1.00 84.42 ? 38 LEU F CD2 1 ATOM 3399 N N . GLU C 3 61 ? -8.214 -17.067 -54.071 1.00 75.62 ? 39 GLU F N 1 ATOM 3400 C CA . GLU C 3 61 ? -8.848 -16.653 -52.820 1.00 75.78 ? 39 GLU F CA 1 ATOM 3401 C C . GLU C 3 61 ? -10.390 -16.670 -52.937 1.00 80.06 ? 39 GLU F C 1 ATOM 3402 O O . GLU C 3 61 ? -10.956 -15.785 -53.586 1.00 79.64 ? 39 GLU F O 1 ATOM 3403 C CB . GLU C 3 61 ? -8.327 -15.270 -52.384 1.00 76.33 ? 39 GLU F CB 1 ATOM 3404 C CG . GLU C 3 61 ? -8.615 -14.924 -50.933 1.00 87.09 ? 39 GLU F CG 1 ATOM 3405 C CD . GLU C 3 61 ? -8.483 -13.453 -50.591 1.00 105.93 ? 39 GLU F CD 1 ATOM 3406 O OE1 . GLU C 3 61 ? -9.485 -12.862 -50.129 1.00 100.07 ? 39 GLU F OE1 1 ATOM 3407 O OE2 . GLU C 3 61 ? -7.379 -12.891 -50.776 1.00 98.48 ? 39 GLU F OE2 1 ATOM 3408 N N . PRO C 3 62 ? -11.090 -17.661 -52.329 1.00 78.05 ? 40 PRO F N 1 ATOM 3409 C CA . PRO C 3 62 ? -12.561 -17.678 -52.430 1.00 77.82 ? 40 PRO F CA 1 ATOM 3410 C C . PRO C 3 62 ? -13.240 -16.693 -51.481 1.00 80.90 ? 40 PRO F C 1 ATOM 3411 O O . PRO C 3 62 ? -12.682 -16.367 -50.431 1.00 79.73 ? 40 PRO F O 1 ATOM 3412 C CB . PRO C 3 62 ? -12.922 -19.128 -52.099 1.00 78.17 ? 40 PRO F CB 1 ATOM 3413 C CG . PRO C 3 62 ? -11.827 -19.598 -51.210 1.00 81.45 ? 40 PRO F CG 1 ATOM 3414 C CD . PRO C 3 62 ? -10.589 -18.798 -51.525 1.00 77.81 ? 40 PRO F CD 1 ATOM 3415 N N . THR C 3 63 ? -14.448 -16.224 -51.850 1.00 77.89 ? 41 THR F N 1 ATOM 3416 C CA . THR C 3 63 ? -15.236 -15.300 -51.029 1.00 78.03 ? 41 THR F CA 1 ATOM 3417 C C . THR C 3 63 ? -15.868 -16.098 -49.886 1.00 79.31 ? 41 THR F C 1 ATOM 3418 O O . THR C 3 63 ? -16.557 -17.093 -50.133 1.00 78.27 ? 41 THR F O 1 ATOM 3419 C CB . THR C 3 63 ? -16.248 -14.517 -51.888 1.00 88.40 ? 41 THR F CB 1 ATOM 3420 O OG1 . THR C 3 63 ? -15.565 -13.925 -52.994 1.00 89.70 ? 41 THR F OG1 1 ATOM 3421 C CG2 . THR C 3 63 ? -16.973 -13.429 -51.101 1.00 88.24 ? 41 THR F CG2 1 ATOM 3422 N N . LEU C 3 64 ? -15.594 -15.682 -48.640 1.00 74.48 ? 42 LEU F N 1 ATOM 3423 C CA . LEU C 3 64 ? -16.081 -16.369 -47.444 1.00 72.49 ? 42 LEU F CA 1 ATOM 3424 C C . LEU C 3 64 ? -17.281 -15.704 -46.797 1.00 76.43 ? 42 LEU F C 1 ATOM 3425 O O . LEU C 3 64 ? -17.374 -14.476 -46.758 1.00 77.54 ? 42 LEU F O 1 ATOM 3426 C CB . LEU C 3 64 ? -14.966 -16.522 -46.393 1.00 71.18 ? 42 LEU F CB 1 ATOM 3427 C CG . LEU C 3 64 ? -13.679 -17.252 -46.782 1.00 74.94 ? 42 LEU F CG 1 ATOM 3428 C CD1 . LEU C 3 64 ? -12.661 -17.141 -45.669 1.00 74.30 ? 42 LEU F CD1 1 ATOM 3429 C CD2 . LEU C 3 64 ? -13.936 -18.718 -47.119 1.00 76.25 ? 42 LEU F CD2 1 ATOM 3430 N N . SER C 3 65 ? -18.176 -16.536 -46.249 1.00 71.51 ? 43 SER F N 1 ATOM 3431 C CA . SER C 3 65 ? -19.362 -16.122 -45.511 1.00 71.76 ? 43 SER F CA 1 ATOM 3432 C C . SER C 3 65 ? -19.424 -16.994 -44.258 1.00 72.91 ? 43 SER F C 1 ATOM 3433 O O . SER C 3 65 ? -19.704 -18.193 -44.350 1.00 71.49 ? 43 SER F O 1 ATOM 3434 C CB . SER C 3 65 ? -20.617 -16.276 -46.366 1.00 76.74 ? 43 SER F CB 1 ATOM 3435 O OG . SER C 3 65 ? -21.757 -15.764 -45.695 1.00 87.10 ? 43 SER F OG 1 ATOM 3436 N N . LEU C 3 66 ? -19.080 -16.405 -43.098 1.00 68.45 ? 44 LEU F N 1 ATOM 3437 C CA . LEU C 3 66 ? -19.053 -17.105 -41.816 1.00 66.51 ? 44 LEU F CA 1 ATOM 3438 C C . LEU C 3 66 ? -20.459 -17.456 -41.332 1.00 70.06 ? 44 LEU F C 1 ATOM 3439 O O . LEU C 3 66 ? -21.276 -16.563 -41.087 1.00 71.17 ? 44 LEU F O 1 ATOM 3440 C CB . LEU C 3 66 ? -18.271 -16.295 -40.754 1.00 66.44 ? 44 LEU F CB 1 ATOM 3441 C CG . LEU C 3 66 ? -18.140 -16.903 -39.343 1.00 69.83 ? 44 LEU F CG 1 ATOM 3442 C CD1 . LEU C 3 66 ? -17.097 -18.013 -39.302 1.00 68.36 ? 44 LEU F CD1 1 ATOM 3443 C CD2 . LEU C 3 66 ? -17.784 -15.837 -38.327 1.00 72.87 ? 44 LEU F CD2 1 ATOM 3444 N N . ASP C 3 67 ? -20.736 -18.765 -41.219 1.00 64.89 ? 45 ASP F N 1 ATOM 3445 C CA . ASP C 3 67 ? -22.013 -19.280 -40.730 1.00 64.67 ? 45 ASP F CA 1 ATOM 3446 C C . ASP C 3 67 ? -21.990 -19.275 -39.203 1.00 67.00 ? 45 ASP F C 1 ATOM 3447 O O . ASP C 3 67 ? -22.889 -18.707 -38.579 1.00 67.56 ? 45 ASP F O 1 ATOM 3448 C CB . ASP C 3 67 ? -22.290 -20.695 -41.282 1.00 65.84 ? 45 ASP F CB 1 ATOM 3449 C CG . ASP C 3 67 ? -22.929 -20.750 -42.663 1.00 77.05 ? 45 ASP F CG 1 ATOM 3450 O OD1 . ASP C 3 67 ? -23.379 -19.691 -43.158 1.00 79.05 ? 45 ASP F OD1 1 ATOM 3451 O OD2 . ASP C 3 67 ? -23.018 -21.859 -43.229 1.00 82.41 ? 45 ASP F OD2 1 ATOM 3452 N N . TYR C 3 68 ? -20.935 -19.878 -38.609 1.00 61.31 ? 46 TYR F N 1 ATOM 3453 C CA . TYR C 3 68 ? -20.711 -19.970 -37.165 1.00 60.07 ? 46 TYR F CA 1 ATOM 3454 C C . TYR C 3 68 ? -19.288 -20.428 -36.838 1.00 61.90 ? 46 TYR F C 1 ATOM 3455 O O . TYR C 3 68 ? -18.553 -20.883 -37.718 1.00 60.93 ? 46 TYR F O 1 ATOM 3456 C CB . TYR C 3 68 ? -21.733 -20.929 -36.500 1.00 61.00 ? 46 TYR F CB 1 ATOM 3457 C CG . TYR C 3 68 ? -21.629 -22.373 -36.949 1.00 61.76 ? 46 TYR F CG 1 ATOM 3458 C CD1 . TYR C 3 68 ? -22.402 -22.853 -38.001 1.00 64.17 ? 46 TYR F CD1 1 ATOM 3459 C CD2 . TYR C 3 68 ? -20.784 -23.269 -36.298 1.00 61.51 ? 46 TYR F CD2 1 ATOM 3460 C CE1 . TYR C 3 68 ? -22.313 -24.180 -38.417 1.00 64.41 ? 46 TYR F CE1 1 ATOM 3461 C CE2 . TYR C 3 68 ? -20.675 -24.595 -36.714 1.00 62.05 ? 46 TYR F CE2 1 ATOM 3462 C CZ . TYR C 3 68 ? -21.448 -25.048 -37.770 1.00 70.00 ? 46 TYR F CZ 1 ATOM 3463 O OH . TYR C 3 68 ? -21.356 -26.360 -38.168 1.00 71.10 ? 46 TYR F OH 1 ATOM 3464 N N . ILE C 3 69 ? -18.932 -20.349 -35.551 1.00 57.56 ? 47 ILE F N 1 ATOM 3465 C CA . ILE C 3 69 ? -17.673 -20.834 -34.999 1.00 56.21 ? 47 ILE F CA 1 ATOM 3466 C C . ILE C 3 69 ? -18.001 -21.920 -33.967 1.00 59.24 ? 47 ILE F C 1 ATOM 3467 O O . ILE C 3 69 ? -19.065 -21.875 -33.341 1.00 59.33 ? 47 ILE F O 1 ATOM 3468 C CB . ILE C 3 69 ? -16.748 -19.713 -34.423 1.00 59.47 ? 47 ILE F CB 1 ATOM 3469 C CG1 . ILE C 3 69 ? -17.353 -18.984 -33.203 1.00 60.48 ? 47 ILE F CG1 1 ATOM 3470 C CG2 . ILE C 3 69 ? -16.291 -18.730 -35.500 1.00 60.84 ? 47 ILE F CG2 1 ATOM 3471 C CD1 . ILE C 3 69 ? -16.731 -19.366 -31.881 1.00 67.04 ? 47 ILE F CD1 1 ATOM 3472 N N . THR C 3 70 ? -17.104 -22.897 -33.809 1.00 54.72 ? 48 THR F N 1 ATOM 3473 C CA . THR C 3 70 ? -17.257 -23.960 -32.817 1.00 54.14 ? 48 THR F CA 1 ATOM 3474 C C . THR C 3 70 ? -15.991 -24.082 -31.980 1.00 57.24 ? 48 THR F C 1 ATOM 3475 O O . THR C 3 70 ? -14.904 -23.746 -32.455 1.00 56.73 ? 48 THR F O 1 ATOM 3476 C CB . THR C 3 70 ? -17.796 -25.265 -33.421 1.00 61.84 ? 48 THR F CB 1 ATOM 3477 O OG1 . THR C 3 70 ? -18.299 -26.081 -32.364 1.00 61.34 ? 48 THR F OG1 1 ATOM 3478 C CG2 . THR C 3 70 ? -16.749 -26.033 -34.201 1.00 60.36 ? 48 THR F CG2 1 ATOM 3479 N N . CYS C 3 71 ? -16.141 -24.537 -30.731 1.00 53.41 ? 49 CYS F N 1 ATOM 3480 C CA . CYS C 3 71 ? -15.058 -24.670 -29.756 1.00 52.97 ? 49 CYS F CA 1 ATOM 3481 C C . CYS C 3 71 ? -15.461 -25.669 -28.671 1.00 56.82 ? 49 CYS F C 1 ATOM 3482 O O . CYS C 3 71 ? -16.497 -26.322 -28.801 1.00 56.57 ? 49 CYS F O 1 ATOM 3483 C CB . CYS C 3 71 ? -14.737 -23.303 -29.156 1.00 53.32 ? 49 CYS F CB 1 ATOM 3484 S SG . CYS C 3 71 ? -16.196 -22.386 -28.593 1.00 57.70 ? 49 CYS F SG 1 ATOM 3485 N N . GLU C 3 72 ? -14.639 -25.804 -27.611 1.00 53.37 ? 50 GLU F N 1 ATOM 3486 C CA . GLU C 3 72 ? -14.948 -26.687 -26.491 1.00 53.68 ? 50 GLU F CA 1 ATOM 3487 C C . GLU C 3 72 ? -16.045 -26.029 -25.650 1.00 57.42 ? 50 GLU F C 1 ATOM 3488 O O . GLU C 3 72 ? -16.021 -24.812 -25.455 1.00 56.86 ? 50 GLU F O 1 ATOM 3489 C CB . GLU C 3 72 ? -13.700 -26.958 -25.633 1.00 55.48 ? 50 GLU F CB 1 ATOM 3490 C CG . GLU C 3 72 ? -13.839 -28.200 -24.764 1.00 67.69 ? 50 GLU F CG 1 ATOM 3491 C CD . GLU C 3 72 ? -12.941 -28.317 -23.547 1.00 91.43 ? 50 GLU F CD 1 ATOM 3492 O OE1 . GLU C 3 72 ? -12.671 -27.283 -22.894 1.00 88.89 ? 50 GLU F OE1 1 ATOM 3493 O OE2 . GLU C 3 72 ? -12.581 -29.462 -23.193 1.00 86.91 ? 50 GLU F OE2 1 ATOM 3494 N N . TYR C 3 73 ? -17.022 -26.823 -25.194 1.00 54.29 ? 51 TYR F N 1 ATOM 3495 C CA . TYR C 3 73 ? -18.118 -26.321 -24.369 1.00 54.37 ? 51 TYR F CA 1 ATOM 3496 C C . TYR C 3 73 ? -17.731 -26.327 -22.884 1.00 58.13 ? 51 TYR F C 1 ATOM 3497 O O . TYR C 3 73 ? -16.760 -26.987 -22.506 1.00 57.82 ? 51 TYR F O 1 ATOM 3498 C CB . TYR C 3 73 ? -19.418 -27.119 -24.627 1.00 56.11 ? 51 TYR F CB 1 ATOM 3499 C CG . TYR C 3 73 ? -19.386 -28.573 -24.200 1.00 58.62 ? 51 TYR F CG 1 ATOM 3500 C CD1 . TYR C 3 73 ? -19.520 -28.930 -22.860 1.00 61.43 ? 51 TYR F CD1 1 ATOM 3501 C CD2 . TYR C 3 73 ? -19.316 -29.595 -25.141 1.00 59.50 ? 51 TYR F CD2 1 ATOM 3502 C CE1 . TYR C 3 73 ? -19.498 -30.263 -22.461 1.00 63.21 ? 51 TYR F CE1 1 ATOM 3503 C CE2 . TYR C 3 73 ? -19.327 -30.935 -24.755 1.00 61.41 ? 51 TYR F CE2 1 ATOM 3504 C CZ . TYR C 3 73 ? -19.411 -31.264 -23.412 1.00 69.73 ? 51 TYR F CZ 1 ATOM 3505 O OH . TYR C 3 73 ? -19.412 -32.579 -23.015 1.00 72.12 ? 51 TYR F OH 1 ATOM 3506 N N . LYS C 3 74 ? -18.504 -25.618 -22.046 1.00 58.37 ? 52 LYS F N 1 ATOM 3507 C CA . LYS C 3 74 ? -18.288 -25.567 -20.601 1.00 56.00 ? 52 LYS F CA 1 ATOM 3508 C C . LYS C 3 74 ? -19.584 -25.948 -19.888 1.00 58.42 ? 52 LYS F C 1 ATOM 3509 O O . LYS C 3 74 ? -20.613 -25.301 -20.099 1.00 58.76 ? 52 LYS F O 1 ATOM 3510 C CB . LYS C 3 74 ? -17.802 -24.172 -20.162 1.00 58.74 ? 52 LYS F CB 1 ATOM 3511 C CG . LYS C 3 74 ? -17.428 -24.075 -18.684 1.00 71.58 ? 52 LYS F CG 1 ATOM 3512 C CD . LYS C 3 74 ? -17.256 -22.631 -18.242 1.00 82.35 ? 52 LYS F CD 1 ATOM 3513 C CE . LYS C 3 74 ? -17.106 -22.509 -16.747 1.00 92.26 ? 52 LYS F CE 1 ATOM 3514 N NZ . LYS C 3 74 ? -16.834 -21.107 -16.335 1.00 102.30 ? 52 LYS F NZ 1 ATOM 3515 N N . THR C 3 75 ? -19.539 -27.009 -19.066 1.00 53.25 ? 53 THR F N 1 ATOM 3516 C CA . THR C 3 75 ? -20.699 -27.453 -18.295 1.00 52.16 ? 53 THR F CA 1 ATOM 3517 C C . THR C 3 75 ? -20.676 -26.707 -16.959 1.00 54.65 ? 53 THR F C 1 ATOM 3518 O O . THR C 3 75 ? -19.887 -27.046 -16.073 1.00 53.35 ? 53 THR F O 1 ATOM 3519 C CB . THR C 3 75 ? -20.741 -28.990 -18.165 1.00 59.48 ? 53 THR F CB 1 ATOM 3520 O OG1 . THR C 3 75 ? -20.596 -29.582 -19.456 1.00 60.96 ? 53 THR F OG1 1 ATOM 3521 C CG2 . THR C 3 75 ? -22.032 -29.485 -17.527 1.00 57.04 ? 53 THR F CG2 1 ATOM 3522 N N . VAL C 3 76 ? -21.506 -25.658 -16.842 1.00 51.34 ? 54 VAL F N 1 ATOM 3523 C CA . VAL C 3 76 ? -21.581 -24.850 -15.626 1.00 50.48 ? 54 VAL F CA 1 ATOM 3524 C C . VAL C 3 76 ? -22.466 -25.552 -14.602 1.00 53.24 ? 54 VAL F C 1 ATOM 3525 O O . VAL C 3 76 ? -23.671 -25.709 -14.816 1.00 53.14 ? 54 VAL F O 1 ATOM 3526 C CB . VAL C 3 76 ? -21.982 -23.372 -15.891 1.00 55.61 ? 54 VAL F CB 1 ATOM 3527 C CG1 . VAL C 3 76 ? -22.181 -22.604 -14.585 1.00 55.17 ? 54 VAL F CG1 1 ATOM 3528 C CG2 . VAL C 3 76 ? -20.942 -22.674 -16.759 1.00 56.47 ? 54 VAL F CG2 1 ATOM 3529 N N . ILE C 3 77 ? -21.844 -26.015 -13.509 1.00 48.75 ? 55 ILE F N 1 ATOM 3530 C CA . ILE C 3 77 ? -22.538 -26.717 -12.435 1.00 47.80 ? 55 ILE F CA 1 ATOM 3531 C C . ILE C 3 77 ? -22.358 -25.956 -11.109 1.00 51.36 ? 55 ILE F C 1 ATOM 3532 O O . ILE C 3 77 ? -21.279 -26.021 -10.512 1.00 50.79 ? 55 ILE F O 1 ATOM 3533 C CB . ILE C 3 77 ? -22.135 -28.219 -12.322 1.00 50.39 ? 55 ILE F CB 1 ATOM 3534 C CG1 . ILE C 3 77 ? -22.074 -28.924 -13.693 1.00 51.30 ? 55 ILE F CG1 1 ATOM 3535 C CG2 . ILE C 3 77 ? -23.077 -28.955 -11.384 1.00 50.73 ? 55 ILE F CG2 1 ATOM 3536 C CD1 . ILE C 3 77 ? -20.786 -29.665 -13.935 1.00 58.76 ? 55 ILE F CD1 1 ATOM 3537 N N . PRO C 3 78 ? -23.397 -25.238 -10.620 1.00 48.13 ? 56 PRO F N 1 ATOM 3538 C CA . PRO C 3 78 ? -23.251 -24.534 -9.337 1.00 48.18 ? 56 PRO F CA 1 ATOM 3539 C C . PRO C 3 78 ? -23.410 -25.487 -8.149 1.00 51.51 ? 56 PRO F C 1 ATOM 3540 O O . PRO C 3 78 ? -23.585 -26.694 -8.343 1.00 50.42 ? 56 PRO F O 1 ATOM 3541 C CB . PRO C 3 78 ? -24.365 -23.485 -9.389 1.00 50.77 ? 56 PRO F CB 1 ATOM 3542 C CG . PRO C 3 78 ? -25.421 -24.104 -10.225 1.00 55.00 ? 56 PRO F CG 1 ATOM 3543 C CD . PRO C 3 78 ? -24.751 -25.052 -11.186 1.00 50.05 ? 56 PRO F CD 1 ATOM 3544 N N . SER C 3 79 ? -23.352 -24.941 -6.920 1.00 48.67 ? 57 SER F N 1 ATOM 3545 C CA . SER C 3 79 ? -23.524 -25.700 -5.684 1.00 48.43 ? 57 SER F CA 1 ATOM 3546 C C . SER C 3 79 ? -24.929 -26.320 -5.652 1.00 52.03 ? 57 SER F C 1 ATOM 3547 O O . SER C 3 79 ? -25.893 -25.611 -5.958 1.00 51.84 ? 57 SER F O 1 ATOM 3548 C CB . SER C 3 79 ? -23.317 -24.798 -4.471 1.00 53.01 ? 57 SER F CB 1 ATOM 3549 O OG . SER C 3 79 ? -21.970 -24.365 -4.372 1.00 61.97 ? 57 SER F OG 1 ATOM 3550 N N . PRO C 3 80 ? -25.073 -27.638 -5.356 1.00 48.32 ? 58 PRO F N 1 ATOM 3551 C CA . PRO C 3 80 ? -26.421 -28.231 -5.335 1.00 48.02 ? 58 PRO F CA 1 ATOM 3552 C C . PRO C 3 80 ? -27.249 -27.739 -4.152 1.00 52.70 ? 58 PRO F C 1 ATOM 3553 O O . PRO C 3 80 ? -26.724 -27.597 -3.045 1.00 52.83 ? 58 PRO F O 1 ATOM 3554 C CB . PRO C 3 80 ? -26.154 -29.738 -5.270 1.00 49.50 ? 58 PRO F CB 1 ATOM 3555 C CG . PRO C 3 80 ? -24.825 -29.863 -4.631 1.00 54.20 ? 58 PRO F CG 1 ATOM 3556 C CD . PRO C 3 80 ? -24.039 -28.631 -4.994 1.00 49.77 ? 58 PRO F CD 1 ATOM 3557 N N . TYR C 3 81 ? -28.532 -27.443 -4.398 1.00 49.63 ? 59 TYR F N 1 ATOM 3558 C CA . TYR C 3 81 ? -29.430 -26.966 -3.355 1.00 50.39 ? 59 TYR F CA 1 ATOM 3559 C C . TYR C 3 81 ? -29.975 -28.132 -2.536 1.00 54.49 ? 59 TYR F C 1 ATOM 3560 O O . TYR C 3 81 ? -30.918 -28.809 -2.957 1.00 53.72 ? 59 TYR F O 1 ATOM 3561 C CB . TYR C 3 81 ? -30.546 -26.067 -3.931 1.00 51.98 ? 59 TYR F CB 1 ATOM 3562 C CG . TYR C 3 81 ? -31.556 -25.594 -2.905 1.00 54.79 ? 59 TYR F CG 1 ATOM 3563 C CD1 . TYR C 3 81 ? -31.174 -24.772 -1.847 1.00 57.83 ? 59 TYR F CD1 1 ATOM 3564 C CD2 . TYR C 3 81 ? -32.899 -25.941 -3.009 1.00 55.72 ? 59 TYR F CD2 1 ATOM 3565 C CE1 . TYR C 3 81 ? -32.099 -24.333 -0.901 1.00 59.73 ? 59 TYR F CE1 1 ATOM 3566 C CE2 . TYR C 3 81 ? -33.836 -25.498 -2.076 1.00 57.69 ? 59 TYR F CE2 1 ATOM 3567 C CZ . TYR C 3 81 ? -33.430 -24.695 -1.022 1.00 66.07 ? 59 TYR F CZ 1 ATOM 3568 O OH . TYR C 3 81 ? -34.346 -24.254 -0.097 1.00 68.38 ? 59 TYR F OH 1 ATOM 3569 N N . VAL C 3 82 ? -29.345 -28.383 -1.377 1.00 51.85 ? 60 VAL F N 1 ATOM 3570 C CA . VAL C 3 82 ? -29.750 -29.444 -0.458 1.00 52.27 ? 60 VAL F CA 1 ATOM 3571 C C . VAL C 3 82 ? -30.767 -28.839 0.515 1.00 57.50 ? 60 VAL F C 1 ATOM 3572 O O . VAL C 3 82 ? -30.387 -28.115 1.441 1.00 58.06 ? 60 VAL F O 1 ATOM 3573 C CB . VAL C 3 82 ? -28.549 -30.118 0.270 1.00 56.65 ? 60 VAL F CB 1 ATOM 3574 C CG1 . VAL C 3 82 ? -29.022 -31.237 1.194 1.00 57.36 ? 60 VAL F CG1 1 ATOM 3575 C CG2 . VAL C 3 82 ? -27.516 -30.646 -0.723 1.00 55.53 ? 60 VAL F CG2 1 ATOM 3576 N N . LYS C 3 83 ? -32.062 -29.098 0.271 1.00 54.29 ? 61 LYS F N 1 ATOM 3577 C CA . LYS C 3 83 ? -33.132 -28.587 1.120 1.00 55.36 ? 61 LYS F CA 1 ATOM 3578 C C . LYS C 3 83 ? -33.402 -29.567 2.256 1.00 60.73 ? 61 LYS F C 1 ATOM 3579 O O . LYS C 3 83 ? -34.031 -30.609 2.048 1.00 59.97 ? 61 LYS F O 1 ATOM 3580 C CB . LYS C 3 83 ? -34.405 -28.279 0.310 1.00 57.51 ? 61 LYS F CB 1 ATOM 3581 C CG . LYS C 3 83 ? -35.346 -27.309 1.019 1.00 72.61 ? 61 LYS F CG 1 ATOM 3582 C CD . LYS C 3 83 ? -36.635 -27.079 0.239 1.00 82.47 ? 61 LYS F CD 1 ATOM 3583 C CE . LYS C 3 83 ? -37.482 -25.968 0.818 1.00 95.30 ? 61 LYS F CE 1 ATOM 3584 N NZ . LYS C 3 83 ? -38.109 -26.347 2.114 1.00 106.14 ? 61 LYS F NZ 1 ATOM 3585 N N . CYS C 3 84 ? -32.886 -29.242 3.451 1.00 59.24 ? 62 CYS F N 1 ATOM 3586 C CA . CYS C 3 84 ? -33.066 -30.056 4.650 1.00 60.82 ? 62 CYS F CA 1 ATOM 3587 C C . CYS C 3 84 ? -34.473 -29.851 5.186 1.00 66.13 ? 62 CYS F C 1 ATOM 3588 O O . CYS C 3 84 ? -34.930 -28.709 5.294 1.00 66.22 ? 62 CYS F O 1 ATOM 3589 C CB . CYS C 3 84 ? -32.012 -29.726 5.704 1.00 62.75 ? 62 CYS F CB 1 ATOM 3590 S SG . CYS C 3 84 ? -30.307 -30.027 5.172 1.00 65.93 ? 62 CYS F SG 1 ATOM 3591 N N . CYS C 3 85 ? -35.170 -30.965 5.484 1.00 63.52 ? 63 CYS F N 1 ATOM 3592 C CA . CYS C 3 85 ? -36.543 -31.015 6.010 1.00 64.52 ? 63 CYS F CA 1 ATOM 3593 C C . CYS C 3 85 ? -37.610 -30.433 5.049 1.00 67.54 ? 63 CYS F C 1 ATOM 3594 O O . CYS C 3 85 ? -38.714 -30.093 5.484 1.00 67.91 ? 63 CYS F O 1 ATOM 3595 C CB . CYS C 3 85 ? -36.630 -30.402 7.409 1.00 67.11 ? 63 CYS F CB 1 ATOM 3596 S SG . CYS C 3 85 ? -35.400 -31.036 8.582 1.00 72.84 ? 63 CYS F SG 1 ATOM 3597 N N . GLY C 3 86 ? -37.279 -30.362 3.757 1.00 62.77 ? 64 GLY F N 1 ATOM 3598 C CA . GLY C 3 86 ? -38.169 -29.840 2.725 1.00 62.04 ? 64 GLY F CA 1 ATOM 3599 C C . GLY C 3 86 ? -37.961 -30.427 1.342 1.00 64.85 ? 64 GLY F C 1 ATOM 3600 O O . GLY C 3 86 ? -36.998 -31.165 1.109 1.00 63.75 ? 64 GLY F O 1 ATOM 3601 N N . THR C 3 87 ? -38.872 -30.090 0.411 1.00 61.56 ? 65 THR F N 1 ATOM 3602 C CA . THR C 3 87 ? -38.837 -30.553 -0.977 1.00 60.57 ? 65 THR F CA 1 ATOM 3603 C C . THR C 3 87 ? -38.476 -29.396 -1.915 1.00 64.44 ? 65 THR F C 1 ATOM 3604 O O . THR C 3 87 ? -39.205 -28.410 -1.985 1.00 64.63 ? 65 THR F O 1 ATOM 3605 C CB . THR C 3 87 ? -40.158 -31.257 -1.347 1.00 69.30 ? 65 THR F CB 1 ATOM 3606 O OG1 . THR C 3 87 ? -40.475 -32.229 -0.349 1.00 70.13 ? 65 THR F OG1 1 ATOM 3607 C CG2 . THR C 3 87 ? -40.109 -31.927 -2.718 1.00 67.34 ? 65 THR F CG2 1 ATOM 3608 N N . ALA C 3 88 ? -37.345 -29.513 -2.626 1.00 60.49 ? 66 ALA F N 1 ATOM 3609 C CA . ALA C 3 88 ? -36.907 -28.490 -3.577 1.00 60.21 ? 66 ALA F CA 1 ATOM 3610 C C . ALA C 3 88 ? -37.721 -28.601 -4.870 1.00 64.64 ? 66 ALA F C 1 ATOM 3611 O O . ALA C 3 88 ? -38.224 -29.683 -5.182 1.00 64.10 ? 66 ALA F O 1 ATOM 3612 C CB . ALA C 3 88 ? -35.426 -28.649 -3.869 1.00 60.11 ? 66 ALA F CB 1 ATOM 3613 N N . GLU C 3 89 ? -37.877 -27.482 -5.604 1.00 62.16 ? 67 GLU F N 1 ATOM 3614 C CA . GLU C 3 89 ? -38.634 -27.466 -6.856 1.00 62.76 ? 67 GLU F CA 1 ATOM 3615 C C . GLU C 3 89 ? -37.849 -26.895 -8.025 1.00 66.51 ? 67 GLU F C 1 ATOM 3616 O O . GLU C 3 89 ? -37.264 -25.815 -7.914 1.00 66.30 ? 67 GLU F O 1 ATOM 3617 C CB . GLU C 3 89 ? -39.988 -26.766 -6.691 1.00 65.57 ? 67 GLU F CB 1 ATOM 3618 C CG . GLU C 3 89 ? -41.027 -27.659 -6.043 1.00 77.76 ? 67 GLU F CG 1 ATOM 3619 C CD . GLU C 3 89 ? -42.405 -27.044 -5.948 1.00 102.93 ? 67 GLU F CD 1 ATOM 3620 O OE1 . GLU C 3 89 ? -43.171 -27.150 -6.933 1.00 99.03 ? 67 GLU F OE1 1 ATOM 3621 O OE2 . GLU C 3 89 ? -42.725 -26.467 -4.884 1.00 99.11 ? 67 GLU F OE2 1 ATOM 3622 N N . CYS C 3 90 ? -37.839 -27.635 -9.145 1.00 62.96 ? 68 CYS F N 1 ATOM 3623 C CA . CYS C 3 90 ? -37.142 -27.256 -10.370 1.00 62.95 ? 68 CYS F CA 1 ATOM 3624 C C . CYS C 3 90 ? -37.908 -26.208 -11.162 1.00 68.05 ? 68 CYS F C 1 ATOM 3625 O O . CYS C 3 90 ? -39.100 -26.380 -11.432 1.00 68.68 ? 68 CYS F O 1 ATOM 3626 C CB . CYS C 3 90 ? -36.831 -28.483 -11.221 1.00 62.99 ? 68 CYS F CB 1 ATOM 3627 S SG . CYS C 3 90 ? -35.325 -29.359 -10.731 1.00 65.33 ? 68 CYS F SG 1 ATOM 3628 N N . LYS C 3 91 ? -37.217 -25.119 -11.527 1.00 64.69 ? 69 LYS F N 1 ATOM 3629 C CA . LYS C 3 91 ? -37.782 -24.029 -12.319 1.00 66.29 ? 69 LYS F CA 1 ATOM 3630 C C . LYS C 3 91 ? -37.221 -24.047 -13.738 1.00 70.44 ? 69 LYS F C 1 ATOM 3631 O O . LYS C 3 91 ? -36.033 -24.318 -13.930 1.00 68.98 ? 69 LYS F O 1 ATOM 3632 C CB . LYS C 3 91 ? -37.607 -22.654 -11.633 1.00 69.61 ? 69 LYS F CB 1 ATOM 3633 C CG . LYS C 3 91 ? -36.165 -22.219 -11.349 1.00 84.40 ? 69 LYS F CG 1 ATOM 3634 C CD . LYS C 3 91 ? -36.099 -20.841 -10.680 1.00 95.94 ? 69 LYS F CD 1 ATOM 3635 C CE . LYS C 3 91 ? -35.789 -19.707 -11.635 1.00 108.65 ? 69 LYS F CE 1 ATOM 3636 N NZ . LYS C 3 91 ? -36.957 -19.343 -12.482 1.00 119.66 ? 69 LYS F NZ 1 ATOM 3637 N N . ASP C 3 92 ? -38.086 -23.790 -14.731 1.00 68.74 ? 70 ASP F N 1 ATOM 3638 C CA . ASP C 3 92 ? -37.709 -23.777 -16.142 1.00 69.70 ? 70 ASP F CA 1 ATOM 3639 C C . ASP C 3 92 ? -36.891 -22.521 -16.463 1.00 73.74 ? 70 ASP F C 1 ATOM 3640 O O . ASP C 3 92 ? -37.438 -21.414 -16.500 1.00 75.15 ? 70 ASP F O 1 ATOM 3641 C CB . ASP C 3 92 ? -38.955 -23.894 -17.039 1.00 73.94 ? 70 ASP F CB 1 ATOM 3642 C CG . ASP C 3 92 ? -38.635 -24.092 -18.504 1.00 86.39 ? 70 ASP F CG 1 ATOM 3643 O OD1 . ASP C 3 92 ? -38.671 -23.097 -19.257 1.00 89.15 ? 70 ASP F OD1 1 ATOM 3644 O OD2 . ASP C 3 92 ? -38.339 -25.241 -18.896 1.00 92.15 ? 70 ASP F OD2 1 ATOM 3645 N N . LYS C 3 93 ? -35.571 -22.698 -16.654 1.00 68.52 ? 71 LYS F N 1 ATOM 3646 C CA . LYS C 3 93 ? -34.645 -21.605 -16.958 1.00 68.82 ? 71 LYS F CA 1 ATOM 3647 C C . LYS C 3 93 ? -34.250 -21.596 -18.432 1.00 73.82 ? 71 LYS F C 1 ATOM 3648 O O . LYS C 3 93 ? -33.928 -22.649 -18.990 1.00 72.69 ? 71 LYS F O 1 ATOM 3649 C CB . LYS C 3 93 ? -33.398 -21.667 -16.057 1.00 69.03 ? 71 LYS F CB 1 ATOM 3650 C CG . LYS C 3 93 ? -33.670 -21.309 -14.596 1.00 81.42 ? 71 LYS F CG 1 ATOM 3651 C CD . LYS C 3 93 ? -32.717 -20.227 -14.075 1.00 90.78 ? 71 LYS F CD 1 ATOM 3652 C CE . LYS C 3 93 ? -31.602 -20.763 -13.207 1.00 97.90 ? 71 LYS F CE 1 ATOM 3653 N NZ . LYS C 3 93 ? -32.072 -21.116 -11.839 1.00 104.91 ? 71 LYS F NZ 1 ATOM 3654 N N . ASN C 3 94 ? -34.277 -20.404 -19.058 1.00 72.49 ? 72 ASN F N 1 ATOM 3655 C CA . ASN C 3 94 ? -33.920 -20.217 -20.465 1.00 74.29 ? 72 ASN F CA 1 ATOM 3656 C C . ASN C 3 94 ? -32.393 -20.167 -20.623 1.00 76.69 ? 72 ASN F C 1 ATOM 3657 O O . ASN C 3 94 ? -31.803 -19.098 -20.810 1.00 77.44 ? 72 ASN F O 1 ATOM 3658 C CB . ASN C 3 94 ? -34.616 -18.977 -21.051 1.00 78.56 ? 72 ASN F CB 1 ATOM 3659 C CG . ASN C 3 94 ? -34.501 -18.851 -22.553 1.00 103.89 ? 72 ASN F CG 1 ATOM 3660 O OD1 . ASN C 3 94 ? -34.842 -19.765 -23.313 1.00 98.84 ? 72 ASN F OD1 1 ATOM 3661 N ND2 . ASN C 3 94 ? -34.046 -17.696 -23.015 1.00 97.67 ? 72 ASN F ND2 1 ATOM 3662 N N . LEU C 3 95 ? -31.760 -21.345 -20.506 1.00 70.84 ? 73 LEU F N 1 ATOM 3663 C CA . LEU C 3 95 ? -30.313 -21.536 -20.610 1.00 69.29 ? 73 LEU F CA 1 ATOM 3664 C C . LEU C 3 95 ? -30.005 -22.700 -21.569 1.00 73.15 ? 73 LEU F C 1 ATOM 3665 O O . LEU C 3 95 ? -30.815 -23.629 -21.647 1.00 72.51 ? 73 LEU F O 1 ATOM 3666 C CB . LEU C 3 95 ? -29.704 -21.803 -19.218 1.00 66.47 ? 73 LEU F CB 1 ATOM 3667 C CG . LEU C 3 95 ? -29.635 -20.607 -18.259 1.00 71.10 ? 73 LEU F CG 1 ATOM 3668 C CD1 . LEU C 3 95 ? -29.701 -21.061 -16.814 1.00 69.02 ? 73 LEU F CD1 1 ATOM 3669 C CD2 . LEU C 3 95 ? -28.387 -19.768 -18.497 1.00 73.95 ? 73 LEU F CD2 1 ATOM 3670 N N . PRO C 3 96 ? -28.870 -22.678 -22.319 1.00 70.21 ? 74 PRO F N 1 ATOM 3671 C CA . PRO C 3 96 ? -28.585 -23.787 -23.250 1.00 70.52 ? 74 PRO F CA 1 ATOM 3672 C C . PRO C 3 96 ? -28.291 -25.096 -22.525 1.00 72.17 ? 74 PRO F C 1 ATOM 3673 O O . PRO C 3 96 ? -27.497 -25.110 -21.582 1.00 69.65 ? 74 PRO F O 1 ATOM 3674 C CB . PRO C 3 96 ? -27.383 -23.284 -24.061 1.00 73.32 ? 74 PRO F CB 1 ATOM 3675 C CG . PRO C 3 96 ? -27.266 -21.823 -23.751 1.00 78.49 ? 74 PRO F CG 1 ATOM 3676 C CD . PRO C 3 96 ? -27.802 -21.661 -22.372 1.00 72.09 ? 74 PRO F CD 1 ATOM 3677 N N . ASP C 3 97 ? -28.978 -26.184 -22.946 1.00 69.54 ? 75 ASP F N 1 ATOM 3678 C CA . ASP C 3 97 ? -28.900 -27.534 -22.370 1.00 67.78 ? 75 ASP F CA 1 ATOM 3679 C C . ASP C 3 97 ? -29.199 -27.549 -20.860 1.00 69.74 ? 75 ASP F C 1 ATOM 3680 O O . ASP C 3 97 ? -28.576 -28.311 -20.111 1.00 67.54 ? 75 ASP F O 1 ATOM 3681 C CB . ASP C 3 97 ? -27.558 -28.225 -22.702 1.00 69.09 ? 75 ASP F CB 1 ATOM 3682 C CG . ASP C 3 97 ? -27.584 -29.187 -23.877 1.00 81.13 ? 75 ASP F CG 1 ATOM 3683 O OD1 . ASP C 3 97 ? -28.662 -29.764 -24.154 1.00 82.82 ? 75 ASP F OD1 1 ATOM 3684 O OD2 . ASP C 3 97 ? -26.515 -29.410 -24.482 1.00 87.49 ? 75 ASP F OD2 1 ATOM 3685 N N . TYR C 3 98 ? -30.155 -26.701 -20.419 1.00 66.98 ? 76 TYR F N 1 ATOM 3686 C CA . TYR C 3 98 ? -30.535 -26.598 -19.012 1.00 65.22 ? 76 TYR F CA 1 ATOM 3687 C C . TYR C 3 98 ? -31.159 -27.887 -18.501 1.00 68.62 ? 76 TYR F C 1 ATOM 3688 O O . TYR C 3 98 ? -32.120 -28.394 -19.084 1.00 69.53 ? 76 TYR F O 1 ATOM 3689 C CB . TYR C 3 98 ? -31.434 -25.376 -18.730 1.00 67.36 ? 76 TYR F CB 1 ATOM 3690 C CG . TYR C 3 98 ? -31.752 -25.204 -17.259 1.00 67.52 ? 76 TYR F CG 1 ATOM 3691 C CD1 . TYR C 3 98 ? -30.802 -24.702 -16.373 1.00 68.23 ? 76 TYR F CD1 1 ATOM 3692 C CD2 . TYR C 3 98 ? -32.991 -25.576 -16.745 1.00 68.28 ? 76 TYR F CD2 1 ATOM 3693 C CE1 . TYR C 3 98 ? -31.077 -24.575 -15.012 1.00 67.88 ? 76 TYR F CE1 1 ATOM 3694 C CE2 . TYR C 3 98 ? -33.278 -25.452 -15.386 1.00 67.96 ? 76 TYR F CE2 1 ATOM 3695 C CZ . TYR C 3 98 ? -32.319 -24.948 -14.524 1.00 74.15 ? 76 TYR F CZ 1 ATOM 3696 O OH . TYR C 3 98 ? -32.603 -24.812 -13.186 1.00 74.28 ? 76 TYR F OH 1 ATOM 3697 N N . SER C 3 99 ? -30.577 -28.421 -17.421 1.00 63.51 ? 77 SER F N 1 ATOM 3698 C CA . SER C 3 99 ? -31.022 -29.649 -16.778 1.00 62.66 ? 77 SER F CA 1 ATOM 3699 C C . SER C 3 99 ? -31.218 -29.419 -15.287 1.00 65.23 ? 77 SER F C 1 ATOM 3700 O O . SER C 3 99 ? -30.362 -28.819 -14.630 1.00 63.85 ? 77 SER F O 1 ATOM 3701 C CB . SER C 3 99 ? -30.017 -30.771 -17.015 1.00 65.89 ? 77 SER F CB 1 ATOM 3702 O OG . SER C 3 99 ? -29.782 -30.969 -18.399 1.00 76.27 ? 77 SER F OG 1 ATOM 3703 N N . CYS C 3 100 ? -32.363 -29.874 -14.766 1.00 62.05 ? 78 CYS F N 1 ATOM 3704 C CA . CYS C 3 100 ? -32.720 -29.764 -13.356 1.00 61.04 ? 78 CYS F CA 1 ATOM 3705 C C . CYS C 3 100 ? -33.401 -31.045 -12.897 1.00 65.05 ? 78 CYS F C 1 ATOM 3706 O O . CYS C 3 100 ? -34.274 -31.566 -13.597 1.00 65.90 ? 78 CYS F O 1 ATOM 3707 C CB . CYS C 3 100 ? -33.594 -28.539 -13.103 1.00 62.05 ? 78 CYS F CB 1 ATOM 3708 S SG . CYS C 3 100 ? -33.820 -28.139 -11.350 1.00 65.12 ? 78 CYS F SG 1 ATOM 3709 N N . LYS C 3 101 ? -33.005 -31.548 -11.716 1.00 60.53 ? 79 LYS F N 1 ATOM 3710 C CA . LYS C 3 101 ? -33.557 -32.771 -11.136 1.00 60.38 ? 79 LYS F CA 1 ATOM 3711 C C . LYS C 3 101 ? -33.520 -32.722 -9.610 1.00 63.22 ? 79 LYS F C 1 ATOM 3712 O O . LYS C 3 101 ? -32.484 -32.393 -9.025 1.00 62.12 ? 79 LYS F O 1 ATOM 3713 C CB . LYS C 3 101 ? -32.805 -34.004 -11.666 1.00 63.25 ? 79 LYS F CB 1 ATOM 3714 C CG . LYS C 3 101 ? -33.666 -35.252 -11.776 1.00 80.44 ? 79 LYS F CG 1 ATOM 3715 C CD . LYS C 3 101 ? -33.011 -36.296 -12.668 1.00 92.58 ? 79 LYS F CD 1 ATOM 3716 C CE . LYS C 3 101 ? -33.842 -37.549 -12.787 1.00 106.10 ? 79 LYS F CE 1 ATOM 3717 N NZ . LYS C 3 101 ? -33.184 -38.562 -13.653 1.00 116.88 ? 79 LYS F NZ 1 ATOM 3718 N N . VAL C 3 102 ? -34.661 -33.034 -8.972 1.00 59.89 ? 80 VAL F N 1 ATOM 3719 C CA . VAL C 3 102 ? -34.800 -33.064 -7.514 1.00 59.32 ? 80 VAL F CA 1 ATOM 3720 C C . VAL C 3 102 ? -34.769 -34.525 -7.061 1.00 63.29 ? 80 VAL F C 1 ATOM 3721 O O . VAL C 3 102 ? -35.615 -35.321 -7.480 1.00 63.68 ? 80 VAL F O 1 ATOM 3722 C CB . VAL C 3 102 ? -36.058 -32.301 -7.013 1.00 63.62 ? 80 VAL F CB 1 ATOM 3723 C CG1 . VAL C 3 102 ? -36.254 -32.469 -5.506 1.00 63.50 ? 80 VAL F CG1 1 ATOM 3724 C CG2 . VAL C 3 102 ? -35.983 -30.823 -7.378 1.00 63.43 ? 80 VAL F CG2 1 ATOM 3725 N N . PHE C 3 103 ? -33.779 -34.873 -6.224 1.00 59.30 ? 81 PHE F N 1 ATOM 3726 C CA . PHE C 3 103 ? -33.599 -36.230 -5.713 1.00 59.67 ? 81 PHE F CA 1 ATOM 3727 C C . PHE C 3 103 ? -34.110 -36.350 -4.282 1.00 63.52 ? 81 PHE F C 1 ATOM 3728 O O . PHE C 3 103 ? -33.662 -35.615 -3.400 1.00 62.73 ? 81 PHE F O 1 ATOM 3729 C CB . PHE C 3 103 ? -32.131 -36.681 -5.844 1.00 61.40 ? 81 PHE F CB 1 ATOM 3730 C CG . PHE C 3 103 ? -31.578 -36.551 -7.246 1.00 62.66 ? 81 PHE F CG 1 ATOM 3731 C CD1 . PHE C 3 103 ? -31.876 -37.498 -8.220 1.00 66.58 ? 81 PHE F CD1 1 ATOM 3732 C CD2 . PHE C 3 103 ? -30.773 -35.473 -7.596 1.00 63.95 ? 81 PHE F CD2 1 ATOM 3733 C CE1 . PHE C 3 103 ? -31.385 -37.364 -9.521 1.00 67.51 ? 81 PHE F CE1 1 ATOM 3734 C CE2 . PHE C 3 103 ? -30.270 -35.348 -8.895 1.00 66.71 ? 81 PHE F CE2 1 ATOM 3735 C CZ . PHE C 3 103 ? -30.575 -36.298 -9.846 1.00 65.68 ? 81 PHE F CZ 1 ATOM 3736 N N . THR C 3 104 ? -35.078 -37.259 -4.071 1.00 60.78 ? 82 THR F N 1 ATOM 3737 C CA . THR C 3 104 ? -35.725 -37.511 -2.778 1.00 61.28 ? 82 THR F CA 1 ATOM 3738 C C . THR C 3 104 ? -35.014 -38.605 -1.981 1.00 65.74 ? 82 THR F C 1 ATOM 3739 O O . THR C 3 104 ? -34.341 -39.457 -2.565 1.00 65.69 ? 82 THR F O 1 ATOM 3740 C CB . THR C 3 104 ? -37.216 -37.836 -2.973 1.00 70.16 ? 82 THR F CB 1 ATOM 3741 O OG1 . THR C 3 104 ? -37.347 -38.939 -3.870 1.00 70.84 ? 82 THR F OG1 1 ATOM 3742 C CG2 . THR C 3 104 ? -38.020 -36.644 -3.481 1.00 68.03 ? 82 THR F CG2 1 ATOM 3743 N N . GLY C 3 105 ? -35.186 -38.568 -0.660 1.00 62.71 ? 83 GLY F N 1 ATOM 3744 C CA . GLY C 3 105 ? -34.598 -39.525 0.273 1.00 63.79 ? 83 GLY F CA 1 ATOM 3745 C C . GLY C 3 105 ? -33.087 -39.465 0.376 1.00 66.82 ? 83 GLY F C 1 ATOM 3746 O O . GLY C 3 105 ? -32.439 -40.509 0.511 1.00 67.50 ? 83 GLY F O 1 ATOM 3747 N N A VAL C 3 106 ? -32.518 -38.245 0.321 0.50 61.94 ? 84 VAL F N 1 ATOM 3748 N N B VAL C 3 106 ? -32.519 -38.247 0.311 0.50 61.93 ? 84 VAL F N 1 ATOM 3749 C CA A VAL C 3 106 ? -31.073 -37.999 0.391 0.50 61.47 ? 84 VAL F CA 1 ATOM 3750 C CA B VAL C 3 106 ? -31.074 -38.023 0.414 0.50 61.50 ? 84 VAL F CA 1 ATOM 3751 C C A VAL C 3 106 ? -30.686 -37.548 1.809 0.50 66.01 ? 84 VAL F C 1 ATOM 3752 C C B VAL C 3 106 ? -30.680 -37.551 1.812 0.50 66.02 ? 84 VAL F C 1 ATOM 3753 O O A VAL C 3 106 ? -31.288 -36.615 2.341 0.50 65.45 ? 84 VAL F O 1 ATOM 3754 O O B VAL C 3 106 ? -31.284 -36.619 2.343 0.50 65.47 ? 84 VAL F O 1 ATOM 3755 C CB A VAL C 3 106 ? -30.601 -36.990 -0.702 0.50 63.64 ? 84 VAL F CB 1 ATOM 3756 C CB B VAL C 3 106 ? -30.466 -37.144 -0.716 0.50 63.73 ? 84 VAL F CB 1 ATOM 3757 C CG1 A VAL C 3 106 ? -29.088 -36.783 -0.661 0.50 63.38 ? 84 VAL F CG1 1 ATOM 3758 C CG1 B VAL C 3 106 ? -30.370 -37.918 -2.026 0.50 63.22 ? 84 VAL F CG1 1 ATOM 3759 C CG2 A VAL C 3 106 ? -31.037 -37.436 -2.097 0.50 62.82 ? 84 VAL F CG2 1 ATOM 3760 C CG2 B VAL C 3 106 ? -31.232 -35.835 -0.906 0.50 62.54 ? 84 VAL F CG2 1 ATOM 3761 N N . TYR C 3 107 ? -29.685 -38.217 2.411 1.00 63.65 ? 85 TYR F N 1 ATOM 3762 C CA . TYR C 3 107 ? -29.181 -37.903 3.750 1.00 64.81 ? 85 TYR F CA 1 ATOM 3763 C C . TYR C 3 107 ? -27.670 -37.622 3.614 1.00 68.13 ? 85 TYR F C 1 ATOM 3764 O O . TYR C 3 107 ? -26.851 -38.526 3.800 1.00 68.91 ? 85 TYR F O 1 ATOM 3765 C CB . TYR C 3 107 ? -29.498 -39.059 4.716 1.00 68.38 ? 85 TYR F CB 1 ATOM 3766 C CG . TYR C 3 107 ? -29.261 -38.742 6.175 1.00 72.07 ? 85 TYR F CG 1 ATOM 3767 C CD1 . TYR C 3 107 ? -30.236 -38.105 6.938 1.00 74.49 ? 85 TYR F CD1 1 ATOM 3768 C CD2 . TYR C 3 107 ? -28.085 -39.129 6.809 1.00 74.64 ? 85 TYR F CD2 1 ATOM 3769 C CE1 . TYR C 3 107 ? -30.026 -37.819 8.286 1.00 77.52 ? 85 TYR F CE1 1 ATOM 3770 C CE2 . TYR C 3 107 ? -27.865 -38.850 8.156 1.00 77.83 ? 85 TYR F CE2 1 ATOM 3771 C CZ . TYR C 3 107 ? -28.841 -38.200 8.892 1.00 85.60 ? 85 TYR F CZ 1 ATOM 3772 O OH . TYR C 3 107 ? -28.625 -37.922 10.218 1.00 89.05 ? 85 TYR F OH 1 ATOM 3773 N N . PRO C 3 108 ? -27.288 -36.387 3.204 1.00 63.07 ? 86 PRO F N 1 ATOM 3774 C CA . PRO C 3 108 ? -25.864 -36.101 2.971 1.00 62.63 ? 86 PRO F CA 1 ATOM 3775 C C . PRO C 3 108 ? -25.031 -35.856 4.221 1.00 68.30 ? 86 PRO F C 1 ATOM 3776 O O . PRO C 3 108 ? -25.512 -35.270 5.193 1.00 68.90 ? 86 PRO F O 1 ATOM 3777 C CB . PRO C 3 108 ? -25.897 -34.884 2.051 1.00 62.38 ? 86 PRO F CB 1 ATOM 3778 C CG . PRO C 3 108 ? -27.144 -34.184 2.407 1.00 66.72 ? 86 PRO F CG 1 ATOM 3779 C CD . PRO C 3 108 ? -28.127 -35.208 2.898 1.00 63.28 ? 86 PRO F CD 1 ATOM 3780 N N . PHE C 3 109 ? -23.765 -36.297 4.172 1.00 65.52 ? 87 PHE F N 1 ATOM 3781 C CA . PHE C 3 109 ? -22.799 -36.161 5.258 1.00 67.46 ? 87 PHE F CA 1 ATOM 3782 C C . PHE C 3 109 ? -21.678 -35.196 4.894 1.00 70.51 ? 87 PHE F C 1 ATOM 3783 O O . PHE C 3 109 ? -21.160 -35.231 3.775 1.00 68.53 ? 87 PHE F O 1 ATOM 3784 C CB . PHE C 3 109 ? -22.191 -37.530 5.618 1.00 71.36 ? 87 PHE F CB 1 ATOM 3785 C CG . PHE C 3 109 ? -23.015 -38.395 6.541 1.00 74.99 ? 87 PHE F CG 1 ATOM 3786 C CD1 . PHE C 3 109 ? -22.905 -38.270 7.921 1.00 80.76 ? 87 PHE F CD1 1 ATOM 3787 C CD2 . PHE C 3 109 ? -23.866 -39.369 6.032 1.00 76.84 ? 87 PHE F CD2 1 ATOM 3788 C CE1 . PHE C 3 109 ? -23.658 -39.082 8.776 1.00 83.93 ? 87 PHE F CE1 1 ATOM 3789 C CE2 . PHE C 3 109 ? -24.616 -40.182 6.887 1.00 81.86 ? 87 PHE F CE2 1 ATOM 3790 C CZ . PHE C 3 109 ? -24.505 -40.035 8.253 1.00 82.54 ? 87 PHE F CZ 1 ATOM 3791 N N . MET C 3 110 ? -21.302 -34.342 5.853 1.00 68.38 ? 88 MET F N 1 ATOM 3792 C CA . MET C 3 110 ? -20.191 -33.402 5.736 1.00 68.08 ? 88 MET F CA 1 ATOM 3793 C C . MET C 3 110 ? -19.100 -33.828 6.734 1.00 74.88 ? 88 MET F C 1 ATOM 3794 O O . MET C 3 110 ? -19.224 -34.899 7.336 1.00 76.23 ? 88 MET F O 1 ATOM 3795 C CB . MET C 3 110 ? -20.659 -31.949 5.943 1.00 69.95 ? 88 MET F CB 1 ATOM 3796 C CG . MET C 3 110 ? -21.008 -31.252 4.640 1.00 70.86 ? 88 MET F CG 1 ATOM 3797 S SD . MET C 3 110 ? -21.524 -29.526 4.821 1.00 74.96 ? 88 MET F SD 1 ATOM 3798 C CE . MET C 3 110 ? -19.941 -28.718 4.932 1.00 72.64 ? 88 MET F CE 1 ATOM 3799 N N . TRP C 3 111 ? -18.027 -33.022 6.879 1.00 72.22 ? 89 TRP F N 1 ATOM 3800 C CA . TRP C 3 111 ? -16.890 -33.285 7.769 1.00 74.97 ? 89 TRP F CA 1 ATOM 3801 C C . TRP C 3 111 ? -17.272 -33.613 9.227 1.00 81.50 ? 89 TRP F C 1 ATOM 3802 O O . TRP C 3 111 ? -16.711 -34.545 9.802 1.00 83.39 ? 89 TRP F O 1 ATOM 3803 C CB . TRP C 3 111 ? -15.852 -32.141 7.684 1.00 74.05 ? 89 TRP F CB 1 ATOM 3804 C CG . TRP C 3 111 ? -14.900 -32.082 8.843 1.00 78.63 ? 89 TRP F CG 1 ATOM 3805 C CD1 . TRP C 3 111 ? -13.737 -32.780 8.987 1.00 83.33 ? 89 TRP F CD1 1 ATOM 3806 C CD2 . TRP C 3 111 ? -15.069 -31.326 10.049 1.00 81.09 ? 89 TRP F CD2 1 ATOM 3807 N NE1 . TRP C 3 111 ? -13.165 -32.498 10.206 1.00 86.39 ? 89 TRP F NE1 1 ATOM 3808 C CE2 . TRP C 3 111 ? -13.965 -31.613 10.882 1.00 88.43 ? 89 TRP F CE2 1 ATOM 3809 C CE3 . TRP C 3 111 ? -16.054 -30.437 10.513 1.00 82.44 ? 89 TRP F CE3 1 ATOM 3810 C CZ2 . TRP C 3 111 ? -13.817 -31.040 12.151 1.00 91.22 ? 89 TRP F CZ2 1 ATOM 3811 C CZ3 . TRP C 3 111 ? -15.907 -29.871 11.769 1.00 87.32 ? 89 TRP F CZ3 1 ATOM 3812 C CH2 . TRP C 3 111 ? -14.794 -30.163 12.569 1.00 91.31 ? 89 TRP F CH2 1 ATOM 3813 N N . GLY C 3 112 ? -18.192 -32.843 9.805 1.00 77.99 ? 90 GLY F N 1 ATOM 3814 C CA . GLY C 3 112 ? -18.607 -33.023 11.192 1.00 80.83 ? 90 GLY F CA 1 ATOM 3815 C C . GLY C 3 112 ? -19.963 -33.664 11.379 1.00 83.99 ? 90 GLY F C 1 ATOM 3816 O O . GLY C 3 112 ? -20.711 -33.273 12.279 1.00 85.14 ? 90 GLY F O 1 ATOM 3817 N N . GLY C 3 113 ? -20.263 -34.656 10.545 1.00 78.50 ? 91 GLY F N 1 ATOM 3818 C CA . GLY C 3 113 ? -21.522 -35.389 10.591 1.00 77.80 ? 91 GLY F CA 1 ATOM 3819 C C . GLY C 3 113 ? -22.509 -35.001 9.509 1.00 77.70 ? 91 GLY F C 1 ATOM 3820 O O . GLY C 3 113 ? -22.125 -34.423 8.488 1.00 74.72 ? 91 GLY F O 1 ATOM 3821 N N . ALA C 3 114 ? -23.795 -35.326 9.737 1.00 74.10 ? 92 ALA F N 1 ATOM 3822 C CA . ALA C 3 114 ? -24.905 -35.070 8.818 1.00 71.12 ? 92 ALA F CA 1 ATOM 3823 C C . ALA C 3 114 ? -25.200 -33.587 8.622 1.00 73.51 ? 92 ALA F C 1 ATOM 3824 O O . ALA C 3 114 ? -25.220 -32.822 9.589 1.00 74.77 ? 92 ALA F O 1 ATOM 3825 C CB . ALA C 3 114 ? -26.153 -35.789 9.298 1.00 72.72 ? 92 ALA F CB 1 ATOM 3826 N N . TYR C 3 115 ? -25.441 -33.194 7.360 1.00 67.21 ? 93 TYR F N 1 ATOM 3827 C CA . TYR C 3 115 ? -25.755 -31.820 6.970 1.00 65.68 ? 93 TYR F CA 1 ATOM 3828 C C . TYR C 3 115 ? -27.196 -31.441 7.332 1.00 69.58 ? 93 TYR F C 1 ATOM 3829 O O . TYR C 3 115 ? -27.452 -30.283 7.665 1.00 69.57 ? 93 TYR F O 1 ATOM 3830 C CB . TYR C 3 115 ? -25.461 -31.604 5.470 1.00 64.19 ? 93 TYR F CB 1 ATOM 3831 C CG . TYR C 3 115 ? -25.827 -30.235 4.934 1.00 64.77 ? 93 TYR F CG 1 ATOM 3832 C CD1 . TYR C 3 115 ? -25.093 -29.105 5.287 1.00 67.57 ? 93 TYR F CD1 1 ATOM 3833 C CD2 . TYR C 3 115 ? -26.883 -30.073 4.043 1.00 63.91 ? 93 TYR F CD2 1 ATOM 3834 C CE1 . TYR C 3 115 ? -25.421 -27.844 4.792 1.00 67.60 ? 93 TYR F CE1 1 ATOM 3835 C CE2 . TYR C 3 115 ? -27.222 -28.817 3.542 1.00 64.17 ? 93 TYR F CE2 1 ATOM 3836 C CZ . TYR C 3 115 ? -26.486 -27.705 3.917 1.00 72.48 ? 93 TYR F CZ 1 ATOM 3837 O OH . TYR C 3 115 ? -26.814 -26.466 3.422 1.00 73.16 ? 93 TYR F OH 1 ATOM 3838 N N . CYS C 3 116 ? -28.125 -32.417 7.285 1.00 66.05 ? 94 CYS F N 1 ATOM 3839 C CA . CYS C 3 116 ? -29.540 -32.201 7.597 1.00 66.08 ? 94 CYS F CA 1 ATOM 3840 C C . CYS C 3 116 ? -29.944 -32.713 8.976 1.00 72.66 ? 94 CYS F C 1 ATOM 3841 O O . CYS C 3 116 ? -29.447 -33.748 9.422 1.00 73.48 ? 94 CYS F O 1 ATOM 3842 C CB . CYS C 3 116 ? -30.436 -32.778 6.504 1.00 64.41 ? 94 CYS F CB 1 ATOM 3843 S SG . CYS C 3 116 ? -30.193 -32.036 4.868 1.00 65.58 ? 94 CYS F SG 1 ATOM 3844 N N . PHE C 3 117 ? -30.864 -31.986 9.640 1.00 70.42 ? 95 PHE F N 1 ATOM 3845 C CA . PHE C 3 117 ? -31.402 -32.336 10.957 1.00 73.04 ? 95 PHE F CA 1 ATOM 3846 C C . PHE C 3 117 ? -32.374 -33.516 10.844 1.00 76.98 ? 95 PHE F C 1 ATOM 3847 O O . PHE C 3 117 ? -32.389 -34.380 11.722 1.00 78.75 ? 95 PHE F O 1 ATOM 3848 C CB . PHE C 3 117 ? -32.080 -31.110 11.610 1.00 76.00 ? 95 PHE F CB 1 ATOM 3849 C CG . PHE C 3 117 ? -33.059 -31.406 12.727 1.00 79.92 ? 95 PHE F CG 1 ATOM 3850 C CD1 . PHE C 3 117 ? -32.609 -31.777 13.989 1.00 86.16 ? 95 PHE F CD1 1 ATOM 3851 C CD2 . PHE C 3 117 ? -34.429 -31.301 12.518 1.00 81.41 ? 95 PHE F CD2 1 ATOM 3852 C CE1 . PHE C 3 117 ? -33.514 -32.051 15.020 1.00 89.53 ? 95 PHE F CE1 1 ATOM 3853 C CE2 . PHE C 3 117 ? -35.333 -31.576 13.549 1.00 86.55 ? 95 PHE F CE2 1 ATOM 3854 C CZ . PHE C 3 117 ? -34.869 -31.948 14.793 1.00 87.76 ? 95 PHE F CZ 1 ATOM 3855 N N . CYS C 3 118 ? -33.189 -33.534 9.773 1.00 71.43 ? 96 CYS F N 1 ATOM 3856 C CA . CYS C 3 118 ? -34.177 -34.578 9.510 1.00 71.06 ? 96 CYS F CA 1 ATOM 3857 C C . CYS C 3 118 ? -33.541 -35.830 8.928 1.00 74.52 ? 96 CYS F C 1 ATOM 3858 O O . CYS C 3 118 ? -32.590 -35.745 8.149 1.00 72.74 ? 96 CYS F O 1 ATOM 3859 C CB . CYS C 3 118 ? -35.292 -34.057 8.609 1.00 69.47 ? 96 CYS F CB 1 ATOM 3860 S SG . CYS C 3 118 ? -36.266 -32.714 9.332 1.00 74.36 ? 96 CYS F SG 1 ATOM 3861 N N . ASP C 3 119 ? -34.085 -36.991 9.296 1.00 72.48 ? 97 ASP F N 1 ATOM 3862 C CA . ASP C 3 119 ? -33.626 -38.284 8.799 1.00 72.42 ? 97 ASP F CA 1 ATOM 3863 C C . ASP C 3 119 ? -34.320 -38.576 7.473 1.00 73.90 ? 97 ASP F C 1 ATOM 3864 O O . ASP C 3 119 ? -33.702 -39.138 6.567 1.00 72.48 ? 97 ASP F O 1 ATOM 3865 C CB . ASP C 3 119 ? -33.941 -39.398 9.819 1.00 77.24 ? 97 ASP F CB 1 ATOM 3866 C CG . ASP C 3 119 ? -33.690 -39.034 11.275 1.00 90.47 ? 97 ASP F CG 1 ATOM 3867 O OD1 . ASP C 3 119 ? -32.758 -38.239 11.541 1.00 91.18 ? 97 ASP F OD1 1 ATOM 3868 O OD2 . ASP C 3 119 ? -34.426 -39.541 12.145 1.00 98.68 ? 97 ASP F OD2 1 ATOM 3869 N N . ALA C 3 120 ? -35.599 -38.153 7.361 1.00 69.72 ? 98 ALA F N 1 ATOM 3870 C CA . ALA C 3 120 ? -36.473 -38.395 6.220 1.00 67.87 ? 98 ALA F CA 1 ATOM 3871 C C . ALA C 3 120 ? -36.566 -37.390 5.061 1.00 68.86 ? 98 ALA F C 1 ATOM 3872 O O . ALA C 3 120 ? -35.770 -37.474 4.126 1.00 67.17 ? 98 ALA F O 1 ATOM 3873 C CB . ALA C 3 120 ? -37.852 -38.844 6.689 1.00 69.84 ? 98 ALA F CB 1 ATOM 3874 N N . GLU C 3 121 ? -37.566 -36.487 5.099 1.00 64.67 ? 99 GLU F N 1 ATOM 3875 C CA . GLU C 3 121 ? -37.950 -35.513 4.069 1.00 62.56 ? 99 GLU F CA 1 ATOM 3876 C C . GLU C 3 121 ? -36.885 -34.490 3.593 1.00 64.25 ? 99 GLU F C 1 ATOM 3877 O O . GLU C 3 121 ? -37.190 -33.297 3.533 1.00 63.47 ? 99 GLU F O 1 ATOM 3878 C CB . GLU C 3 121 ? -39.263 -34.796 4.472 1.00 64.55 ? 99 GLU F CB 1 ATOM 3879 C CG . GLU C 3 121 ? -40.378 -35.688 5.001 1.00 77.36 ? 99 GLU F CG 1 ATOM 3880 C CD . GLU C 3 121 ? -40.516 -35.743 6.513 1.00 101.97 ? 99 GLU F CD 1 ATOM 3881 O OE1 . GLU C 3 121 ? -40.631 -34.668 7.146 1.00 98.71 ? 99 GLU F OE1 1 ATOM 3882 O OE2 . GLU C 3 121 ? -40.558 -36.868 7.061 1.00 97.43 ? 99 GLU F OE2 1 ATOM 3883 N N . ASN C 3 122 ? -35.672 -34.941 3.212 1.00 59.63 ? 100 ASN F N 1 ATOM 3884 C CA . ASN C 3 122 ? -34.620 -34.043 2.704 1.00 58.04 ? 100 ASN F CA 1 ATOM 3885 C C . ASN C 3 122 ? -34.421 -34.279 1.206 1.00 59.59 ? 100 ASN F C 1 ATOM 3886 O O . ASN C 3 122 ? -34.421 -35.431 0.764 1.00 59.20 ? 100 ASN F O 1 ATOM 3887 C CB . ASN C 3 122 ? -33.290 -34.218 3.445 1.00 59.37 ? 100 ASN F CB 1 ATOM 3888 C CG . ASN C 3 122 ? -33.374 -34.280 4.947 1.00 82.87 ? 100 ASN F CG 1 ATOM 3889 O OD1 . ASN C 3 122 ? -33.703 -33.302 5.628 1.00 77.47 ? 100 ASN F OD1 1 ATOM 3890 N ND2 . ASN C 3 122 ? -32.999 -35.422 5.495 1.00 75.88 ? 100 ASN F ND2 1 ATOM 3891 N N . THR C 3 123 ? -34.257 -33.194 0.427 1.00 54.52 ? 101 THR F N 1 ATOM 3892 C CA . THR C 3 123 ? -34.093 -33.270 -1.032 1.00 52.91 ? 101 THR F CA 1 ATOM 3893 C C . THR C 3 123 ? -32.867 -32.520 -1.554 1.00 55.12 ? 101 THR F C 1 ATOM 3894 O O . THR C 3 123 ? -32.469 -31.516 -0.963 1.00 54.85 ? 101 THR F O 1 ATOM 3895 C CB . THR C 3 123 ? -35.349 -32.741 -1.746 1.00 60.89 ? 101 THR F CB 1 ATOM 3896 O OG1 . THR C 3 123 ? -35.614 -31.408 -1.304 1.00 60.73 ? 101 THR F OG1 1 ATOM 3897 C CG2 . THR C 3 123 ? -36.575 -33.630 -1.543 1.00 60.28 ? 101 THR F CG2 1 ATOM 3898 N N . GLN C 3 124 ? -32.295 -32.986 -2.686 1.00 50.42 ? 102 GLN F N 1 ATOM 3899 C CA . GLN C 3 124 ? -31.167 -32.327 -3.350 1.00 49.29 ? 102 GLN F CA 1 ATOM 3900 C C . GLN C 3 124 ? -31.567 -31.891 -4.758 1.00 52.12 ? 102 GLN F C 1 ATOM 3901 O O . GLN C 3 124 ? -31.991 -32.720 -5.568 1.00 51.76 ? 102 GLN F O 1 ATOM 3902 C CB . GLN C 3 124 ? -29.903 -33.210 -3.395 1.00 50.58 ? 102 GLN F CB 1 ATOM 3903 C CG . GLN C 3 124 ? -28.659 -32.433 -3.848 1.00 64.88 ? 102 GLN F CG 1 ATOM 3904 C CD . GLN C 3 124 ? -27.507 -33.305 -4.283 1.00 84.41 ? 102 GLN F CD 1 ATOM 3905 O OE1 . GLN C 3 124 ? -27.226 -33.455 -5.478 1.00 79.58 ? 102 GLN F OE1 1 ATOM 3906 N NE2 . GLN C 3 124 ? -26.773 -33.847 -3.322 1.00 77.29 ? 102 GLN F NE2 1 ATOM 3907 N N . LEU C 3 125 ? -31.427 -30.588 -5.041 1.00 48.01 ? 103 LEU F N 1 ATOM 3908 C CA . LEU C 3 125 ? -31.722 -30.008 -6.347 1.00 47.46 ? 103 LEU F CA 1 ATOM 3909 C C . LEU C 3 125 ? -30.406 -29.875 -7.115 1.00 50.20 ? 103 LEU F C 1 ATOM 3910 O O . LEU C 3 125 ? -29.538 -29.093 -6.719 1.00 49.67 ? 103 LEU F O 1 ATOM 3911 C CB . LEU C 3 125 ? -32.424 -28.641 -6.194 1.00 48.06 ? 103 LEU F CB 1 ATOM 3912 C CG . LEU C 3 125 ? -32.876 -27.944 -7.483 1.00 53.14 ? 103 LEU F CG 1 ATOM 3913 C CD1 . LEU C 3 125 ? -34.281 -27.412 -7.349 1.00 54.17 ? 103 LEU F CD1 1 ATOM 3914 C CD2 . LEU C 3 125 ? -31.938 -26.808 -7.852 1.00 55.63 ? 103 LEU F CD2 1 ATOM 3915 N N . SER C 3 126 ? -30.253 -30.659 -8.194 1.00 46.12 ? 104 SER F N 1 ATOM 3916 C CA . SER C 3 126 ? -29.069 -30.628 -9.050 1.00 45.39 ? 104 SER F CA 1 ATOM 3917 C C . SER C 3 126 ? -29.345 -29.739 -10.261 1.00 48.99 ? 104 SER F C 1 ATOM 3918 O O . SER C 3 126 ? -30.356 -29.923 -10.941 1.00 49.15 ? 104 SER F O 1 ATOM 3919 C CB . SER C 3 126 ? -28.672 -32.037 -9.481 1.00 48.90 ? 104 SER F CB 1 ATOM 3920 O OG . SER C 3 126 ? -27.970 -32.709 -8.448 1.00 57.27 ? 104 SER F OG 1 ATOM 3921 N N . GLU C 3 127 ? -28.471 -28.747 -10.495 1.00 45.04 ? 105 GLU F N 1 ATOM 3922 C CA . GLU C 3 127 ? -28.585 -27.780 -11.589 1.00 45.33 ? 105 GLU F CA 1 ATOM 3923 C C . GLU C 3 127 ? -27.371 -27.827 -12.508 1.00 48.63 ? 105 GLU F C 1 ATOM 3924 O O . GLU C 3 127 ? -26.245 -27.964 -12.025 1.00 47.55 ? 105 GLU F O 1 ATOM 3925 C CB . GLU C 3 127 ? -28.730 -26.360 -11.026 1.00 47.13 ? 105 GLU F CB 1 ATOM 3926 C CG . GLU C 3 127 ? -30.143 -25.815 -11.061 1.00 58.18 ? 105 GLU F CG 1 ATOM 3927 C CD . GLU C 3 127 ? -30.236 -24.339 -10.731 1.00 79.39 ? 105 GLU F CD 1 ATOM 3928 O OE1 . GLU C 3 127 ? -30.596 -23.555 -11.637 1.00 77.41 ? 105 GLU F OE1 1 ATOM 3929 O OE2 . GLU C 3 127 ? -29.937 -23.962 -9.575 1.00 72.42 ? 105 GLU F OE2 1 ATOM 3930 N N . ALA C 3 128 ? -27.598 -27.683 -13.831 1.00 45.70 ? 106 ALA F N 1 ATOM 3931 C CA . ALA C 3 128 ? -26.545 -27.673 -14.856 1.00 45.61 ? 106 ALA F CA 1 ATOM 3932 C C . ALA C 3 128 ? -27.009 -27.043 -16.165 1.00 50.26 ? 106 ALA F C 1 ATOM 3933 O O . ALA C 3 128 ? -28.167 -27.205 -16.559 1.00 50.51 ? 106 ALA F O 1 ATOM 3934 C CB . ALA C 3 128 ? -26.034 -29.085 -15.118 1.00 46.04 ? 106 ALA F CB 1 ATOM 3935 N N . HIS C 3 129 ? -26.089 -26.333 -16.839 1.00 47.05 ? 107 HIS F N 1 ATOM 3936 C CA . HIS C 3 129 ? -26.300 -25.704 -18.144 1.00 48.51 ? 107 HIS F CA 1 ATOM 3937 C C . HIS C 3 129 ? -24.989 -25.635 -18.929 1.00 52.71 ? 107 HIS F C 1 ATOM 3938 O O . HIS C 3 129 ? -23.910 -25.695 -18.334 1.00 51.12 ? 107 HIS F O 1 ATOM 3939 C CB . HIS C 3 129 ? -27.019 -24.337 -18.038 1.00 50.26 ? 107 HIS F CB 1 ATOM 3940 C CG . HIS C 3 129 ? -26.137 -23.168 -17.724 1.00 53.66 ? 107 HIS F CG 1 ATOM 3941 N ND1 . HIS C 3 129 ? -25.927 -22.753 -16.423 1.00 54.28 ? 107 HIS F ND1 1 ATOM 3942 C CD2 . HIS C 3 129 ? -25.483 -22.330 -18.561 1.00 56.73 ? 107 HIS F CD2 1 ATOM 3943 C CE1 . HIS C 3 129 ? -25.136 -21.696 -16.507 1.00 54.43 ? 107 HIS F CE1 1 ATOM 3944 N NE2 . HIS C 3 129 ? -24.837 -21.408 -17.774 1.00 56.22 ? 107 HIS F NE2 1 ATOM 3945 N N . VAL C 3 130 ? -25.086 -25.532 -20.261 1.00 51.14 ? 108 VAL F N 1 ATOM 3946 C CA . VAL C 3 130 ? -23.926 -25.476 -21.151 1.00 51.74 ? 108 VAL F CA 1 ATOM 3947 C C . VAL C 3 130 ? -23.766 -24.071 -21.732 1.00 57.72 ? 108 VAL F C 1 ATOM 3948 O O . VAL C 3 130 ? -24.749 -23.446 -22.124 1.00 58.89 ? 108 VAL F O 1 ATOM 3949 C CB . VAL C 3 130 ? -23.993 -26.586 -22.243 1.00 56.68 ? 108 VAL F CB 1 ATOM 3950 C CG1 . VAL C 3 130 ? -22.867 -26.457 -23.267 1.00 57.69 ? 108 VAL F CG1 1 ATOM 3951 C CG2 . VAL C 3 130 ? -23.969 -27.972 -21.612 1.00 55.02 ? 108 VAL F CG2 1 ATOM 3952 N N . GLU C 3 131 ? -22.523 -23.575 -21.756 1.00 54.58 ? 109 GLU F N 1 ATOM 3953 C CA . GLU C 3 131 ? -22.164 -22.277 -22.321 1.00 56.43 ? 109 GLU F CA 1 ATOM 3954 C C . GLU C 3 131 ? -20.761 -22.335 -22.940 1.00 61.19 ? 109 GLU F C 1 ATOM 3955 O O . GLU C 3 131 ? -20.097 -23.372 -22.862 1.00 59.41 ? 109 GLU F O 1 ATOM 3956 C CB . GLU C 3 131 ? -22.315 -21.136 -21.287 1.00 57.45 ? 109 GLU F CB 1 ATOM 3957 C CG . GLU C 3 131 ? -21.325 -21.161 -20.133 1.00 65.84 ? 109 GLU F CG 1 ATOM 3958 C CD . GLU C 3 131 ? -21.425 -19.993 -19.170 1.00 85.65 ? 109 GLU F CD 1 ATOM 3959 O OE1 . GLU C 3 131 ? -22.525 -19.767 -18.615 1.00 77.10 ? 109 GLU F OE1 1 ATOM 3960 O OE2 . GLU C 3 131 ? -20.389 -19.330 -18.936 1.00 80.80 ? 109 GLU F OE2 1 ATOM 3961 N N . LYS C 3 132 ? -20.333 -21.230 -23.574 1.00 60.31 ? 110 LYS F N 1 ATOM 3962 C CA . LYS C 3 132 ? -19.028 -21.070 -24.211 1.00 61.10 ? 110 LYS F CA 1 ATOM 3963 C C . LYS C 3 132 ? -17.908 -21.205 -23.177 1.00 63.49 ? 110 LYS F C 1 ATOM 3964 O O . LYS C 3 132 ? -18.009 -20.628 -22.089 1.00 62.13 ? 110 LYS F O 1 ATOM 3965 C CB . LYS C 3 132 ? -18.944 -19.668 -24.832 1.00 66.20 ? 110 LYS F CB 1 ATOM 3966 C CG . LYS C 3 132 ? -18.832 -19.626 -26.340 1.00 82.33 ? 110 LYS F CG 1 ATOM 3967 C CD . LYS C 3 132 ? -18.104 -18.352 -26.741 1.00 94.21 ? 110 LYS F CD 1 ATOM 3968 C CE . LYS C 3 132 ? -18.368 -17.933 -28.158 1.00 108.38 ? 110 LYS F CE 1 ATOM 3969 N NZ . LYS C 3 132 ? -19.602 -17.115 -28.253 1.00 119.17 ? 110 LYS F NZ 1 ATOM 3970 N N . SER C 3 133 ? -16.839 -21.949 -23.514 1.00 51.06 ? 111 SER F N 1 ATOM 3971 C CA . SER C 3 133 ? -15.692 -22.063 -22.612 1.00 51.19 ? 111 SER F CA 1 ATOM 3972 C C . SER C 3 133 ? -14.822 -20.817 -22.777 1.00 55.37 ? 111 SER F C 1 ATOM 3973 O O . SER C 3 133 ? -14.914 -20.132 -23.800 1.00 54.73 ? 111 SER F O 1 ATOM 3974 C CB . SER C 3 133 ? -14.876 -23.320 -22.902 1.00 54.55 ? 111 SER F CB 1 ATOM 3975 O OG . SER C 3 133 ? -13.771 -23.427 -22.017 1.00 63.78 ? 111 SER F OG 1 ATOM 3976 N N . GLU C 3 134 ? -13.972 -20.533 -21.776 1.00 52.53 ? 112 GLU F N 1 ATOM 3977 C CA . GLU C 3 134 ? -13.046 -19.395 -21.767 1.00 52.69 ? 112 GLU F CA 1 ATOM 3978 C C . GLU C 3 134 ? -12.036 -19.504 -22.917 1.00 56.41 ? 112 GLU F C 1 ATOM 3979 O O . GLU C 3 134 ? -11.507 -18.492 -23.377 1.00 56.18 ? 112 GLU F O 1 ATOM 3980 C CB . GLU C 3 134 ? -12.307 -19.317 -20.421 1.00 54.62 ? 112 GLU F CB 1 ATOM 3981 C CG . GLU C 3 134 ? -13.217 -19.149 -19.211 1.00 65.42 ? 112 GLU F CG 1 ATOM 3982 C CD . GLU C 3 134 ? -13.689 -20.418 -18.522 1.00 84.29 ? 112 GLU F CD 1 ATOM 3983 O OE1 . GLU C 3 134 ? -13.800 -21.473 -19.189 1.00 77.29 ? 112 GLU F OE1 1 ATOM 3984 O OE2 . GLU C 3 134 ? -13.970 -20.347 -17.305 1.00 78.41 ? 112 GLU F OE2 1 ATOM 3985 N N . SER C 3 135 ? -11.803 -20.742 -23.387 1.00 52.87 ? 113 SER F N 1 ATOM 3986 C CA . SER C 3 135 ? -10.898 -21.114 -24.470 1.00 52.43 ? 113 SER F CA 1 ATOM 3987 C C . SER C 3 135 ? -11.391 -20.731 -25.864 1.00 56.39 ? 113 SER F C 1 ATOM 3988 O O . SER C 3 135 ? -10.576 -20.653 -26.783 1.00 55.69 ? 113 SER F O 1 ATOM 3989 C CB . SER C 3 135 ? -10.660 -22.617 -24.440 1.00 55.98 ? 113 SER F CB 1 ATOM 3990 O OG . SER C 3 135 ? -11.857 -23.356 -24.623 1.00 64.86 ? 113 SER F OG 1 ATOM 3991 N N . CYS C 3 136 ? -12.713 -20.532 -26.033 1.00 53.52 ? 114 CYS F N 1 ATOM 3992 C CA . CYS C 3 136 ? -13.361 -20.213 -27.311 1.00 53.43 ? 114 CYS F CA 1 ATOM 3993 C C . CYS C 3 136 ? -12.785 -19.038 -28.111 1.00 57.49 ? 114 CYS F C 1 ATOM 3994 O O . CYS C 3 136 ? -12.886 -19.040 -29.340 1.00 56.91 ? 114 CYS F O 1 ATOM 3995 C CB . CYS C 3 136 ? -14.871 -20.107 -27.146 1.00 54.29 ? 114 CYS F CB 1 ATOM 3996 S SG . CYS C 3 136 ? -15.680 -21.680 -26.762 1.00 58.09 ? 114 CYS F SG 1 ATOM 3997 N N . LYS C 3 137 ? -12.169 -18.059 -27.426 1.00 54.60 ? 115 LYS F N 1 ATOM 3998 C CA . LYS C 3 137 ? -11.534 -16.898 -28.054 1.00 54.98 ? 115 LYS F CA 1 ATOM 3999 C C . LYS C 3 137 ? -10.153 -17.267 -28.613 1.00 58.51 ? 115 LYS F C 1 ATOM 4000 O O . LYS C 3 137 ? -9.691 -16.635 -29.565 1.00 58.52 ? 115 LYS F O 1 ATOM 4001 C CB . LYS C 3 137 ? -11.409 -15.740 -27.050 1.00 58.51 ? 115 LYS F CB 1 ATOM 4002 C CG . LYS C 3 137 ? -12.731 -15.040 -26.747 1.00 74.58 ? 115 LYS F CG 1 ATOM 4003 C CD . LYS C 3 137 ? -12.606 -14.028 -25.611 1.00 86.27 ? 115 LYS F CD 1 ATOM 4004 C CE . LYS C 3 137 ? -12.997 -14.609 -24.271 1.00 97.40 ? 115 LYS F CE 1 ATOM 4005 N NZ . LYS C 3 137 ? -12.903 -13.600 -23.185 1.00 107.86 ? 115 LYS F NZ 1 ATOM 4006 N N . THR C 3 138 ? -9.505 -18.291 -28.019 1.00 54.49 ? 116 THR F N 1 ATOM 4007 C CA . THR C 3 138 ? -8.171 -18.780 -28.380 1.00 54.10 ? 116 THR F CA 1 ATOM 4008 C C . THR C 3 138 ? -8.231 -20.050 -29.253 1.00 57.09 ? 116 THR F C 1 ATOM 4009 O O . THR C 3 138 ? -7.608 -20.085 -30.316 1.00 56.57 ? 116 THR F O 1 ATOM 4010 C CB . THR C 3 138 ? -7.329 -18.965 -27.100 1.00 62.76 ? 116 THR F CB 1 ATOM 4011 O OG1 . THR C 3 138 ? -7.296 -17.736 -26.372 1.00 63.08 ? 116 THR F OG1 1 ATOM 4012 C CG2 . THR C 3 138 ? -5.908 -19.434 -27.383 1.00 61.65 ? 116 THR F CG2 1 ATOM 4013 N N . GLU C 3 139 ? -8.956 -21.087 -28.787 1.00 53.19 ? 117 GLU F N 1 ATOM 4014 C CA . GLU C 3 139 ? -9.109 -22.377 -29.465 1.00 52.65 ? 117 GLU F CA 1 ATOM 4015 C C . GLU C 3 139 ? -10.499 -22.520 -30.080 1.00 56.36 ? 117 GLU F C 1 ATOM 4016 O O . GLU C 3 139 ? -11.474 -22.742 -29.359 1.00 55.97 ? 117 GLU F O 1 ATOM 4017 C CB . GLU C 3 139 ? -8.824 -23.537 -28.493 1.00 54.30 ? 117 GLU F CB 1 ATOM 4018 C CG . GLU C 3 139 ? -7.354 -23.730 -28.161 1.00 64.68 ? 117 GLU F CG 1 ATOM 4019 C CD . GLU C 3 139 ? -6.479 -24.246 -29.288 1.00 83.99 ? 117 GLU F CD 1 ATOM 4020 O OE1 . GLU C 3 139 ? -6.953 -25.087 -30.086 1.00 77.59 ? 117 GLU F OE1 1 ATOM 4021 O OE2 . GLU C 3 139 ? -5.305 -23.820 -29.358 1.00 78.20 ? 117 GLU F OE2 1 ATOM 4022 N N . PHE C 3 140 ? -10.588 -22.383 -31.416 1.00 53.09 ? 118 PHE F N 1 ATOM 4023 C CA . PHE C 3 140 ? -11.851 -22.471 -32.153 1.00 52.95 ? 118 PHE F CA 1 ATOM 4024 C C . PHE C 3 140 ? -11.678 -22.854 -33.627 1.00 57.07 ? 118 PHE F C 1 ATOM 4025 O O . PHE C 3 140 ? -10.622 -22.611 -34.216 1.00 56.67 ? 118 PHE F O 1 ATOM 4026 C CB . PHE C 3 140 ? -12.654 -21.153 -32.029 1.00 55.08 ? 118 PHE F CB 1 ATOM 4027 C CG . PHE C 3 140 ? -12.088 -19.958 -32.768 1.00 57.03 ? 118 PHE F CG 1 ATOM 4028 C CD1 . PHE C 3 140 ? -12.592 -19.584 -34.008 1.00 60.28 ? 118 PHE F CD1 1 ATOM 4029 C CD2 . PHE C 3 140 ? -11.072 -19.190 -32.211 1.00 59.49 ? 118 PHE F CD2 1 ATOM 4030 C CE1 . PHE C 3 140 ? -12.071 -18.480 -34.690 1.00 61.78 ? 118 PHE F CE1 1 ATOM 4031 C CE2 . PHE C 3 140 ? -10.551 -18.086 -32.894 1.00 62.83 ? 118 PHE F CE2 1 ATOM 4032 C CZ . PHE C 3 140 ? -11.055 -17.738 -34.128 1.00 61.18 ? 118 PHE F CZ 1 ATOM 4033 N N . ALA C 3 141 ? -12.742 -23.429 -34.216 1.00 53.92 ? 119 ALA F N 1 ATOM 4034 C CA . ALA C 3 141 ? -12.829 -23.805 -35.628 1.00 54.00 ? 119 ALA F CA 1 ATOM 4035 C C . ALA C 3 141 ? -13.949 -22.979 -36.256 1.00 58.77 ? 119 ALA F C 1 ATOM 4036 O O . ALA C 3 141 ? -15.003 -22.813 -35.636 1.00 58.50 ? 119 ALA F O 1 ATOM 4037 C CB . ALA C 3 141 ? -13.128 -25.290 -35.768 1.00 54.76 ? 119 ALA F CB 1 ATOM 4038 N N . SER C 3 142 ? -13.716 -22.432 -37.460 1.00 56.04 ? 120 SER F N 1 ATOM 4039 C CA . SER C 3 142 ? -14.699 -21.591 -38.142 1.00 56.66 ? 120 SER F CA 1 ATOM 4040 C C . SER C 3 142 ? -15.333 -22.282 -39.340 1.00 61.51 ? 120 SER F C 1 ATOM 4041 O O . SER C 3 142 ? -14.622 -22.838 -40.178 1.00 60.91 ? 120 SER F O 1 ATOM 4042 C CB . SER C 3 142 ? -14.072 -20.266 -38.564 1.00 60.59 ? 120 SER F CB 1 ATOM 4043 O OG . SER C 3 142 ? -13.547 -19.553 -37.458 1.00 68.98 ? 120 SER F OG 1 ATOM 4044 N N . ALA C 3 143 ? -16.674 -22.237 -39.418 1.00 59.28 ? 121 ALA F N 1 ATOM 4045 C CA . ALA C 3 143 ? -17.450 -22.822 -40.508 1.00 59.82 ? 121 ALA F CA 1 ATOM 4046 C C . ALA C 3 143 ? -17.798 -21.727 -41.525 1.00 65.60 ? 121 ALA F C 1 ATOM 4047 O O . ALA C 3 143 ? -18.547 -20.799 -41.207 1.00 65.92 ? 121 ALA F O 1 ATOM 4048 C CB . ALA C 3 143 ? -18.711 -23.475 -39.960 1.00 60.67 ? 121 ALA F CB 1 ATOM 4049 N N . TYR C 3 144 ? -17.208 -21.817 -42.733 1.00 63.13 ? 122 TYR F N 1 ATOM 4050 C CA . TYR C 3 144 ? -17.396 -20.843 -43.811 1.00 64.44 ? 122 TYR F CA 1 ATOM 4051 C C . TYR C 3 144 ? -18.098 -21.421 -45.033 1.00 70.37 ? 122 TYR F C 1 ATOM 4052 O O . TYR C 3 144 ? -17.961 -22.610 -45.329 1.00 69.30 ? 122 TYR F O 1 ATOM 4053 C CB . TYR C 3 144 ? -16.041 -20.283 -44.280 1.00 65.47 ? 122 TYR F CB 1 ATOM 4054 C CG . TYR C 3 144 ? -15.320 -19.386 -43.301 1.00 66.76 ? 122 TYR F CG 1 ATOM 4055 C CD1 . TYR C 3 144 ? -15.701 -18.058 -43.131 1.00 69.80 ? 122 TYR F CD1 1 ATOM 4056 C CD2 . TYR C 3 144 ? -14.184 -19.828 -42.630 1.00 66.45 ? 122 TYR F CD2 1 ATOM 4057 C CE1 . TYR C 3 144 ? -15.006 -17.210 -42.270 1.00 70.69 ? 122 TYR F CE1 1 ATOM 4058 C CE2 . TYR C 3 144 ? -13.474 -18.987 -41.776 1.00 67.29 ? 122 TYR F CE2 1 ATOM 4059 C CZ . TYR C 3 144 ? -13.897 -17.682 -41.587 1.00 75.51 ? 122 TYR F CZ 1 ATOM 4060 O OH . TYR C 3 144 ? -13.208 -16.854 -40.734 1.00 76.26 ? 122 TYR F OH 1 ATOM 4061 N N . ARG C 3 145 ? -18.795 -20.546 -45.779 1.00 69.59 ? 123 ARG F N 1 ATOM 4062 C CA . ARG C 3 145 ? -19.449 -20.870 -47.042 1.00 70.94 ? 123 ARG F CA 1 ATOM 4063 C C . ARG C 3 145 ? -18.573 -20.272 -48.147 1.00 76.93 ? 123 ARG F C 1 ATOM 4064 O O . ARG C 3 145 ? -18.477 -19.047 -48.260 1.00 77.58 ? 123 ARG F O 1 ATOM 4065 C CB . ARG C 3 145 ? -20.878 -20.302 -47.097 1.00 72.82 ? 123 ARG F CB 1 ATOM 4066 C CG . ARG C 3 145 ? -21.911 -21.174 -46.402 1.00 83.70 ? 123 ARG F CG 1 ATOM 4067 C CD . ARG C 3 145 ? -23.320 -20.776 -46.796 1.00 96.62 ? 123 ARG F CD 1 ATOM 4068 N NE . ARG C 3 145 ? -24.318 -21.725 -46.298 1.00 106.56 ? 123 ARG F NE 1 ATOM 4069 C CZ . ARG C 3 145 ? -24.740 -22.795 -46.966 1.00 121.57 ? 123 ARG F CZ 1 ATOM 4070 N NH1 . ARG C 3 145 ? -24.251 -23.072 -48.170 1.00 109.23 ? 123 ARG F NH1 1 ATOM 4071 N NH2 . ARG C 3 145 ? -25.651 -23.599 -46.435 1.00 108.61 ? 123 ARG F NH2 1 ATOM 4072 N N . ALA C 3 146 ? -17.878 -21.136 -48.907 1.00 74.14 ? 124 ALA F N 1 ATOM 4073 C CA . ALA C 3 146 ? -16.977 -20.721 -49.985 1.00 75.14 ? 124 ALA F CA 1 ATOM 4074 C C . ALA C 3 146 ? -17.694 -20.697 -51.337 1.00 81.69 ? 124 ALA F C 1 ATOM 4075 O O . ALA C 3 146 ? -18.323 -21.688 -51.720 1.00 81.18 ? 124 ALA F O 1 ATOM 4076 C CB . ALA C 3 146 ? -15.763 -21.637 -50.036 1.00 74.90 ? 124 ALA F CB 1 ATOM 4077 N N . HIS C 3 147 ? -17.615 -19.551 -52.044 1.00 80.77 ? 125 HIS F N 1 ATOM 4078 C CA . HIS C 3 147 ? -18.261 -19.339 -53.346 1.00 82.79 ? 125 HIS F CA 1 ATOM 4079 C C . HIS C 3 147 ? -17.525 -18.322 -54.221 1.00 88.92 ? 125 HIS F C 1 ATOM 4080 O O . HIS C 3 147 ? -17.143 -17.258 -53.733 1.00 88.95 ? 125 HIS F O 1 ATOM 4081 C CB . HIS C 3 147 ? -19.741 -18.934 -53.175 1.00 84.78 ? 125 HIS F CB 1 ATOM 4082 C CG . HIS C 3 147 ? -19.982 -17.933 -52.084 1.00 88.51 ? 125 HIS F CG 1 ATOM 4083 N ND1 . HIS C 3 147 ? -20.402 -18.327 -50.825 1.00 89.12 ? 125 HIS F ND1 1 ATOM 4084 C CD2 . HIS C 3 147 ? -19.845 -16.587 -52.097 1.00 91.75 ? 125 HIS F CD2 1 ATOM 4085 C CE1 . HIS C 3 147 ? -20.511 -17.214 -50.118 1.00 89.27 ? 125 HIS F CE1 1 ATOM 4086 N NE2 . HIS C 3 147 ? -20.185 -16.142 -50.840 1.00 91.25 ? 125 HIS F NE2 1 ATOM 4087 N N . THR C 3 148 ? -17.350 -18.656 -55.522 1.00 87.06 ? 126 THR F N 1 ATOM 4088 C CA . THR C 3 148 ? -16.700 -17.846 -56.568 1.00 88.83 ? 126 THR F CA 1 ATOM 4089 C C . THR C 3 148 ? -15.286 -17.354 -56.194 1.00 92.96 ? 126 THR F C 1 ATOM 4090 O O . THR C 3 148 ? -15.132 -16.271 -55.622 1.00 93.03 ? 126 THR F O 1 ATOM 4091 C CB . THR C 3 148 ? -17.659 -16.764 -57.124 1.00 99.58 ? 126 THR F CB 1 ATOM 4092 O OG1 . THR C 3 148 ? -18.947 -17.340 -57.353 1.00 99.53 ? 126 THR F OG1 1 ATOM 4093 C CG2 . THR C 3 148 ? -17.148 -16.128 -58.414 1.00 100.26 ? 126 THR F CG2 1 ATOM 4094 N N . ALA C 3 149 ? -14.262 -18.155 -56.532 1.00 86.43 ? 127 ALA F N 1 ATOM 4095 C CA . ALA C 3 149 ? -12.860 -17.854 -56.241 1.00 84.82 ? 127 ALA F CA 1 ATOM 4096 C C . ALA C 3 149 ? -12.270 -16.800 -57.180 1.00 87.93 ? 127 ALA F C 1 ATOM 4097 O O . ALA C 3 149 ? -12.456 -16.882 -58.397 1.00 87.15 ? 127 ALA F O 1 ATOM 4098 C CB . ALA C 3 149 ? -12.031 -19.129 -56.287 1.00 85.10 ? 127 ALA F CB 1 ATOM 4099 N N . SER C 3 150 ? -11.559 -15.810 -56.605 1.00 84.35 ? 128 SER F N 1 ATOM 4100 C CA . SER C 3 150 ? -10.894 -14.740 -57.351 1.00 83.33 ? 128 SER F CA 1 ATOM 4101 C C . SER C 3 150 ? -9.443 -15.150 -57.609 1.00 86.46 ? 128 SER F C 1 ATOM 4102 O O . SER C 3 150 ? -8.675 -15.344 -56.662 1.00 85.65 ? 128 SER F O 1 ATOM 4103 C CB . SER C 3 150 ? -10.963 -13.419 -56.588 1.00 87.09 ? 128 SER F CB 1 ATOM 4104 O OG . SER C 3 150 ? -10.412 -12.350 -57.341 1.00 95.35 ? 128 SER F OG 1 ATOM 4105 N N . ALA C 3 151 ? -9.089 -15.327 -58.891 1.00 82.93 ? 129 ALA F N 1 ATOM 4106 C CA . ALA C 3 151 ? -7.752 -15.745 -59.305 1.00 81.93 ? 129 ALA F CA 1 ATOM 4107 C C . ALA C 3 151 ? -6.824 -14.553 -59.519 1.00 85.63 ? 129 ALA F C 1 ATOM 4108 O O . ALA C 3 151 ? -7.227 -13.560 -60.125 1.00 85.27 ? 129 ALA F O 1 ATOM 4109 C CB . ALA C 3 151 ? -7.837 -16.583 -60.572 1.00 82.56 ? 129 ALA F CB 1 ATOM 4110 N N . SER C 3 152 ? -5.583 -14.659 -59.014 1.00 82.19 ? 130 SER F N 1 ATOM 4111 C CA . SER C 3 152 ? -4.538 -13.639 -59.136 1.00 81.78 ? 130 SER F CA 1 ATOM 4112 C C . SER C 3 152 ? -3.181 -14.303 -59.378 1.00 86.04 ? 130 SER F C 1 ATOM 4113 O O . SER C 3 152 ? -2.930 -15.390 -58.851 1.00 85.63 ? 130 SER F O 1 ATOM 4114 C CB . SER C 3 152 ? -4.491 -12.758 -57.892 1.00 85.40 ? 130 SER F CB 1 ATOM 4115 O OG . SER C 3 152 ? -4.208 -13.512 -56.726 1.00 94.43 ? 130 SER F OG 1 ATOM 4116 N N . ALA C 3 153 ? -2.312 -13.656 -60.176 1.00 83.09 ? 131 ALA F N 1 ATOM 4117 C CA . ALA C 3 153 ? -0.999 -14.203 -60.516 1.00 83.03 ? 131 ALA F CA 1 ATOM 4118 C C . ALA C 3 153 ? 0.152 -13.204 -60.430 1.00 87.73 ? 131 ALA F C 1 ATOM 4119 O O . ALA C 3 153 ? -0.013 -12.029 -60.761 1.00 87.44 ? 131 ALA F O 1 ATOM 4120 C CB . ALA C 3 153 ? -1.040 -14.825 -61.904 1.00 83.79 ? 131 ALA F CB 1 ATOM 4121 N N . LYS C 3 154 ? 1.328 -13.700 -60.006 1.00 85.01 ? 132 LYS F N 1 ATOM 4122 C CA . LYS C 3 154 ? 2.585 -12.958 -59.907 1.00 85.35 ? 132 LYS F CA 1 ATOM 4123 C C . LYS C 3 154 ? 3.493 -13.550 -60.992 1.00 90.31 ? 132 LYS F C 1 ATOM 4124 O O . LYS C 3 154 ? 3.819 -14.740 -60.939 1.00 89.84 ? 132 LYS F O 1 ATOM 4125 C CB . LYS C 3 154 ? 3.197 -13.126 -58.504 1.00 87.88 ? 132 LYS F CB 1 ATOM 4126 C CG . LYS C 3 154 ? 4.314 -12.145 -58.172 1.00 103.65 ? 132 LYS F CG 1 ATOM 4127 C CD . LYS C 3 154 ? 4.864 -12.407 -56.772 1.00 114.28 ? 132 LYS F CD 1 ATOM 4128 C CE . LYS C 3 154 ? 5.993 -11.481 -56.385 1.00 126.52 ? 132 LYS F CE 1 ATOM 4129 N NZ . LYS C 3 154 ? 5.512 -10.109 -56.069 1.00 136.33 ? 132 LYS F NZ 1 ATOM 4130 N N . LEU C 3 155 ? 3.842 -12.739 -62.005 1.00 88.00 ? 133 LEU F N 1 ATOM 4131 C CA . LEU C 3 155 ? 4.638 -13.185 -63.149 1.00 88.62 ? 133 LEU F CA 1 ATOM 4132 C C . LEU C 3 155 ? 5.949 -12.413 -63.322 1.00 94.07 ? 133 LEU F C 1 ATOM 4133 O O . LEU C 3 155 ? 5.949 -11.180 -63.307 1.00 94.01 ? 133 LEU F O 1 ATOM 4134 C CB . LEU C 3 155 ? 3.774 -13.105 -64.428 1.00 88.66 ? 133 LEU F CB 1 ATOM 4135 C CG . LEU C 3 155 ? 4.347 -13.670 -65.734 1.00 93.86 ? 133 LEU F CG 1 ATOM 4136 C CD1 . LEU C 3 155 ? 4.175 -15.179 -65.811 1.00 93.80 ? 133 LEU F CD1 1 ATOM 4137 C CD2 . LEU C 3 155 ? 3.666 -13.038 -66.930 1.00 96.50 ? 133 LEU F CD2 1 ATOM 4138 N N . ARG C 3 156 ? 7.060 -13.155 -63.502 1.00 91.68 ? 134 ARG F N 1 ATOM 4139 C CA . ARG C 3 156 ? 8.395 -12.606 -63.746 1.00 92.82 ? 134 ARG F CA 1 ATOM 4140 C C . ARG C 3 156 ? 8.618 -12.576 -65.262 1.00 97.91 ? 134 ARG F C 1 ATOM 4141 O O . ARG C 3 156 ? 8.471 -13.607 -65.922 1.00 97.36 ? 134 ARG F O 1 ATOM 4142 C CB . ARG C 3 156 ? 9.481 -13.452 -63.047 1.00 93.63 ? 134 ARG F CB 1 ATOM 4143 C CG . ARG C 3 156 ? 10.912 -12.959 -63.298 1.00 105.48 ? 134 ARG F CG 1 ATOM 4144 C CD . ARG C 3 156 ? 11.981 -13.933 -62.825 1.00 115.99 ? 134 ARG F CD 1 ATOM 4145 N NE . ARG C 3 156 ? 11.976 -15.199 -63.567 1.00 124.48 ? 134 ARG F NE 1 ATOM 4146 C CZ . ARG C 3 156 ? 12.645 -15.421 -64.696 1.00 139.68 ? 134 ARG F CZ 1 ATOM 4147 N NH1 . ARG C 3 156 ? 13.376 -14.458 -65.245 1.00 128.30 ? 134 ARG F NH1 1 ATOM 4148 N NH2 . ARG C 3 156 ? 12.580 -16.605 -65.289 1.00 126.42 ? 134 ARG F NH2 1 ATOM 4149 N N . VAL C 3 157 ? 8.943 -11.391 -65.812 1.00 95.70 ? 135 VAL F N 1 ATOM 4150 C CA . VAL C 3 157 ? 9.174 -11.210 -67.249 1.00 96.58 ? 135 VAL F CA 1 ATOM 4151 C C . VAL C 3 157 ? 10.576 -10.642 -67.503 1.00 102.50 ? 135 VAL F C 1 ATOM 4152 O O . VAL C 3 157 ? 10.926 -9.602 -66.940 1.00 102.59 ? 135 VAL F O 1 ATOM 4153 C CB . VAL C 3 157 ? 8.070 -10.349 -67.947 1.00 100.27 ? 135 VAL F CB 1 ATOM 4154 C CG1 . VAL C 3 157 ? 8.250 -10.330 -69.466 1.00 100.95 ? 135 VAL F CG1 1 ATOM 4155 C CG2 . VAL C 3 157 ? 6.665 -10.825 -67.588 1.00 98.65 ? 135 VAL F CG2 1 ATOM 4156 N N . LEU C 3 158 ? 11.368 -11.317 -68.360 1.00 100.35 ? 136 LEU F N 1 ATOM 4157 C CA . LEU C 3 158 ? 12.691 -10.838 -68.757 1.00 102.23 ? 136 LEU F CA 1 ATOM 4158 C C . LEU C 3 158 ? 12.425 -9.846 -69.895 1.00 107.17 ? 136 LEU F C 1 ATOM 4159 O O . LEU C 3 158 ? 12.258 -10.245 -71.051 1.00 106.93 ? 136 LEU F O 1 ATOM 4160 C CB . LEU C 3 158 ? 13.594 -11.998 -69.225 1.00 103.18 ? 136 LEU F CB 1 ATOM 4161 C CG . LEU C 3 158 ? 15.068 -11.966 -68.792 1.00 109.63 ? 136 LEU F CG 1 ATOM 4162 C CD1 . LEU C 3 158 ? 15.722 -13.313 -69.012 1.00 110.37 ? 136 LEU F CD1 1 ATOM 4163 C CD2 . LEU C 3 158 ? 15.858 -10.892 -69.536 1.00 114.21 ? 136 LEU F CD2 1 ATOM 4164 N N . TYR C 3 159 ? 12.298 -8.559 -69.536 1.00 104.39 ? 137 TYR F N 1 ATOM 4165 C CA . TYR C 3 159 ? 11.981 -7.472 -70.459 1.00 105.29 ? 137 TYR F CA 1 ATOM 4166 C C . TYR C 3 159 ? 13.132 -6.467 -70.551 1.00 111.60 ? 137 TYR F C 1 ATOM 4167 O O . TYR C 3 159 ? 13.479 -5.830 -69.552 1.00 111.43 ? 137 TYR F O 1 ATOM 4168 C CB . TYR C 3 159 ? 10.662 -6.799 -70.026 1.00 105.21 ? 137 TYR F CB 1 ATOM 4169 C CG . TYR C 3 159 ? 10.132 -5.753 -70.983 1.00 107.87 ? 137 TYR F CG 1 ATOM 4170 C CD1 . TYR C 3 159 ? 9.418 -6.117 -72.121 1.00 109.49 ? 137 TYR F CD1 1 ATOM 4171 C CD2 . TYR C 3 159 ? 10.277 -4.396 -70.712 1.00 109.83 ? 137 TYR F CD2 1 ATOM 4172 C CE1 . TYR C 3 159 ? 8.906 -5.158 -72.993 1.00 111.14 ? 137 TYR F CE1 1 ATOM 4173 C CE2 . TYR C 3 159 ? 9.765 -3.427 -71.574 1.00 111.74 ? 137 TYR F CE2 1 ATOM 4174 C CZ . TYR C 3 159 ? 9.083 -3.813 -72.716 1.00 118.70 ? 137 TYR F CZ 1 ATOM 4175 O OH . TYR C 3 159 ? 8.576 -2.862 -73.569 1.00 120.61 ? 137 TYR F OH 1 ATOM 4176 N N . GLN C 3 160 ? 13.722 -6.343 -71.763 1.00 110.05 ? 138 GLN F N 1 ATOM 4177 C CA . GLN C 3 160 ? 14.849 -5.458 -72.105 1.00 112.57 ? 138 GLN F CA 1 ATOM 4178 C C . GLN C 3 160 ? 16.111 -5.734 -71.258 1.00 117.63 ? 138 GLN F C 1 ATOM 4179 O O . GLN C 3 160 ? 16.775 -4.805 -70.789 1.00 118.66 ? 138 GLN F O 1 ATOM 4180 C CB . GLN C 3 160 ? 14.436 -3.968 -72.099 1.00 114.69 ? 138 GLN F CB 1 ATOM 4181 C CG . GLN C 3 160 ? 13.370 -3.612 -73.135 1.00 128.33 ? 138 GLN F CG 1 ATOM 4182 C CD . GLN C 3 160 ? 12.954 -2.162 -73.070 1.00 147.91 ? 138 GLN F CD 1 ATOM 4183 O OE1 . GLN C 3 160 ? 12.507 -1.654 -72.034 1.00 142.60 ? 138 GLN F OE1 1 ATOM 4184 N NE2 . GLN C 3 160 ? 13.055 -1.470 -74.194 1.00 141.75 ? 138 GLN F NE2 1 ATOM 4185 N N . GLY C 3 161 ? 16.413 -7.021 -71.077 1.00 113.67 ? 139 GLY F N 1 ATOM 4186 C CA . GLY C 3 161 ? 17.561 -7.495 -70.309 1.00 114.45 ? 139 GLY F CA 1 ATOM 4187 C C . GLY C 3 161 ? 17.430 -7.364 -68.803 1.00 117.19 ? 139 GLY F C 1 ATOM 4188 O O . GLY C 3 161 ? 18.404 -7.593 -68.081 1.00 117.60 ? 139 GLY F O 1 ATOM 4189 N N . ASN C 3 162 ? 16.225 -7.002 -68.316 1.00 111.93 ? 140 ASN F N 1 ATOM 4190 C CA . ASN C 3 162 ? 15.920 -6.822 -66.894 1.00 110.40 ? 140 ASN F CA 1 ATOM 4191 C C . ASN C 3 162 ? 14.677 -7.613 -66.489 1.00 111.86 ? 140 ASN F C 1 ATOM 4192 O O . ASN C 3 162 ? 13.758 -7.766 -67.296 1.00 110.67 ? 140 ASN F O 1 ATOM 4193 C CB . ASN C 3 162 ? 15.722 -5.340 -66.572 1.00 111.70 ? 140 ASN F CB 1 ATOM 4194 C CG . ASN C 3 162 ? 16.965 -4.506 -66.747 1.00 136.99 ? 140 ASN F CG 1 ATOM 4195 O OD1 . ASN C 3 162 ? 17.822 -4.429 -65.861 1.00 131.98 ? 140 ASN F OD1 1 ATOM 4196 N ND2 . ASN C 3 162 ? 17.083 -3.853 -67.893 1.00 130.71 ? 140 ASN F ND2 1 ATOM 4197 N N . ASN C 3 163 ? 14.645 -8.104 -65.237 1.00 107.32 ? 141 ASN F N 1 ATOM 4198 C CA . ASN C 3 163 ? 13.511 -8.864 -64.713 1.00 105.04 ? 141 ASN F CA 1 ATOM 4199 C C . ASN C 3 163 ? 12.459 -7.942 -64.105 1.00 107.74 ? 141 ASN F C 1 ATOM 4200 O O . ASN C 3 163 ? 12.756 -7.192 -63.172 1.00 107.51 ? 141 ASN F O 1 ATOM 4201 C CB . ASN C 3 163 ? 13.962 -9.919 -63.693 1.00 105.66 ? 141 ASN F CB 1 ATOM 4202 C CG . ASN C 3 163 ? 14.575 -11.162 -64.292 1.00 130.93 ? 141 ASN F CG 1 ATOM 4203 O OD1 . ASN C 3 163 ? 14.052 -11.759 -65.242 1.00 124.90 ? 141 ASN F OD1 1 ATOM 4204 N ND2 . ASN C 3 163 ? 15.694 -11.584 -63.714 1.00 124.85 ? 141 ASN F ND2 1 ATOM 4205 N N . ILE C 3 164 ? 11.234 -7.992 -64.651 1.00 103.21 ? 142 ILE F N 1 ATOM 4206 C CA . ILE C 3 164 ? 10.098 -7.196 -64.173 1.00 102.09 ? 142 ILE F CA 1 ATOM 4207 C C . ILE C 3 164 ? 9.026 -8.099 -63.558 1.00 104.05 ? 142 ILE F C 1 ATOM 4208 O O . ILE C 3 164 ? 8.785 -9.198 -64.063 1.00 103.15 ? 142 ILE F O 1 ATOM 4209 C CB . ILE C 3 164 ? 9.536 -6.190 -65.225 1.00 105.94 ? 142 ILE F CB 1 ATOM 4210 C CG1 . ILE C 3 164 ? 9.002 -6.894 -66.502 1.00 106.20 ? 142 ILE F CG1 1 ATOM 4211 C CG2 . ILE C 3 164 ? 10.574 -5.108 -65.559 1.00 108.57 ? 142 ILE F CG2 1 ATOM 4212 C CD1 . ILE C 3 164 ? 7.880 -6.155 -67.254 1.00 113.62 ? 142 ILE F CD1 1 ATOM 4213 N N . THR C 3 165 ? 8.409 -7.648 -62.454 1.00 99.71 ? 143 THR F N 1 ATOM 4214 C CA . THR C 3 165 ? 7.371 -8.407 -61.754 1.00 98.10 ? 143 THR F CA 1 ATOM 4215 C C . THR C 3 165 ? 5.995 -7.785 -61.989 1.00 101.37 ? 143 THR F C 1 ATOM 4216 O O . THR C 3 165 ? 5.804 -6.593 -61.738 1.00 101.31 ? 143 THR F O 1 ATOM 4217 C CB . THR C 3 165 ? 7.740 -8.594 -60.270 1.00 105.75 ? 143 THR F CB 1 ATOM 4218 O OG1 . THR C 3 165 ? 9.044 -9.173 -60.185 1.00 105.85 ? 143 THR F OG1 1 ATOM 4219 C CG2 . THR C 3 165 ? 6.744 -9.475 -59.521 1.00 103.29 ? 143 THR F CG2 1 ATOM 4220 N N . VAL C 3 166 ? 5.047 -8.597 -62.491 1.00 97.24 ? 144 VAL F N 1 ATOM 4221 C CA . VAL C 3 166 ? 3.675 -8.173 -62.783 1.00 96.77 ? 144 VAL F CA 1 ATOM 4222 C C . VAL C 3 166 ? 2.695 -8.957 -61.901 1.00 99.48 ? 144 VAL F C 1 ATOM 4223 O O . VAL C 3 166 ? 2.659 -10.189 -61.959 1.00 98.63 ? 144 VAL F O 1 ATOM 4224 C CB . VAL C 3 166 ? 3.321 -8.277 -64.299 1.00 101.07 ? 144 VAL F CB 1 ATOM 4225 C CG1 . VAL C 3 166 ? 1.887 -7.825 -64.571 1.00 100.79 ? 144 VAL F CG1 1 ATOM 4226 C CG2 . VAL C 3 166 ? 4.300 -7.480 -65.160 1.00 102.03 ? 144 VAL F CG2 1 ATOM 4227 N N . THR C 3 167 ? 1.912 -8.234 -61.081 1.00 95.70 ? 145 THR F N 1 ATOM 4228 C CA . THR C 3 167 ? 0.897 -8.813 -60.201 1.00 94.87 ? 145 THR F CA 1 ATOM 4229 C C . THR C 3 167 ? -0.475 -8.374 -60.718 1.00 98.62 ? 145 THR F C 1 ATOM 4230 O O . THR C 3 167 ? -0.800 -7.184 -60.679 1.00 98.68 ? 145 THR F O 1 ATOM 4231 C CB . THR C 3 167 ? 1.177 -8.469 -58.726 1.00 103.01 ? 145 THR F CB 1 ATOM 4232 O OG1 . THR C 3 167 ? 2.515 -8.853 -58.403 1.00 102.62 ? 145 THR F OG1 1 ATOM 4233 C CG2 . THR C 3 167 ? 0.207 -9.156 -57.767 1.00 101.30 ? 145 THR F CG2 1 ATOM 4234 N N . ALA C 3 168 ? -1.253 -9.335 -61.247 1.00 94.71 ? 146 ALA F N 1 ATOM 4235 C CA . ALA C 3 168 ? -2.571 -9.074 -61.826 1.00 94.78 ? 146 ALA F CA 1 ATOM 4236 C C . ALA C 3 168 ? -3.570 -10.200 -61.580 1.00 98.18 ? 146 ALA F C 1 ATOM 4237 O O . ALA C 3 168 ? -3.173 -11.353 -61.394 1.00 97.28 ? 146 ALA F O 1 ATOM 4238 C CB . ALA C 3 168 ? -2.435 -8.830 -63.324 1.00 95.79 ? 146 ALA F CB 1 ATOM 4239 N N . TYR C 3 169 ? -4.872 -9.862 -61.610 1.00 95.17 ? 147 TYR F N 1 ATOM 4240 C CA . TYR C 3 169 ? -5.962 -10.822 -61.469 1.00 95.15 ? 147 TYR F CA 1 ATOM 4241 C C . TYR C 3 169 ? -6.087 -11.596 -62.782 1.00 98.61 ? 147 TYR F C 1 ATOM 4242 O O . TYR C 3 169 ? -6.156 -10.981 -63.851 1.00 98.28 ? 147 TYR F O 1 ATOM 4243 C CB . TYR C 3 169 ? -7.284 -10.113 -61.127 1.00 97.30 ? 147 TYR F CB 1 ATOM 4244 C CG . TYR C 3 169 ? -7.394 -9.660 -59.689 1.00 99.37 ? 147 TYR F CG 1 ATOM 4245 C CD1 . TYR C 3 169 ? -7.809 -10.538 -58.691 1.00 101.52 ? 147 TYR F CD1 1 ATOM 4246 C CD2 . TYR C 3 169 ? -7.124 -8.343 -59.330 1.00 100.40 ? 147 TYR F CD2 1 ATOM 4247 C CE1 . TYR C 3 169 ? -7.923 -10.124 -57.365 1.00 102.59 ? 147 TYR F CE1 1 ATOM 4248 C CE2 . TYR C 3 169 ? -7.235 -7.917 -58.007 1.00 101.56 ? 147 TYR F CE2 1 ATOM 4249 C CZ . TYR C 3 169 ? -7.637 -8.811 -57.027 1.00 108.97 ? 147 TYR F CZ 1 ATOM 4250 O OH . TYR C 3 169 ? -7.751 -8.397 -55.722 1.00 110.13 ? 147 TYR F OH 1 ATOM 4251 N N . ALA C 3 170 ? -6.087 -12.940 -62.704 1.00 94.82 ? 148 ALA F N 1 ATOM 4252 C CA . ALA C 3 170 ? -6.170 -13.837 -63.863 1.00 94.44 ? 148 ALA F CA 1 ATOM 4253 C C . ALA C 3 170 ? -7.611 -14.012 -64.394 1.00 98.78 ? 148 ALA F C 1 ATOM 4254 O O . ALA C 3 170 ? -8.082 -15.136 -64.598 1.00 98.45 ? 148 ALA F O 1 ATOM 4255 C CB . ALA C 3 170 ? -5.535 -15.182 -63.528 1.00 94.86 ? 148 ALA F CB 1 ATOM 4256 N N . ASN C 3 171 ? -8.291 -12.879 -64.645 1.00 95.82 ? 149 ASN F N 1 ATOM 4257 C CA . ASN C 3 171 ? -9.669 -12.817 -65.136 1.00 96.46 ? 149 ASN F CA 1 ATOM 4258 C C . ASN C 3 171 ? -9.774 -12.332 -66.591 1.00 100.19 ? 149 ASN F C 1 ATOM 4259 O O . ASN C 3 171 ? -10.823 -12.498 -67.218 1.00 100.37 ? 149 ASN F O 1 ATOM 4260 C CB . ASN C 3 171 ? -10.537 -11.961 -64.192 1.00 98.52 ? 149 ASN F CB 1 ATOM 4261 C CG . ASN C 3 171 ? -10.258 -10.470 -64.197 1.00 122.60 ? 149 ASN F CG 1 ATOM 4262 O OD1 . ASN C 3 171 ? -11.163 -9.657 -64.408 1.00 118.27 ? 149 ASN F OD1 1 ATOM 4263 N ND2 . ASN C 3 171 ? -9.016 -10.061 -63.979 1.00 113.93 ? 149 ASN F ND2 1 ATOM 4264 N N . GLY C 3 172 ? -8.693 -11.743 -67.102 1.00 96.09 ? 150 GLY F N 1 ATOM 4265 C CA . GLY C 3 172 ? -8.622 -11.215 -68.461 1.00 95.92 ? 150 GLY F CA 1 ATOM 4266 C C . GLY C 3 172 ? -9.216 -9.828 -68.618 1.00 100.41 ? 150 GLY F C 1 ATOM 4267 O O . GLY C 3 172 ? -9.391 -9.358 -69.746 1.00 100.27 ? 150 GLY F O 1 ATOM 4268 N N . ASP C 3 173 ? -9.531 -9.163 -67.486 1.00 97.31 ? 151 ASP F N 1 ATOM 4269 C CA . ASP C 3 173 ? -10.109 -7.816 -67.444 1.00 98.11 ? 151 ASP F CA 1 ATOM 4270 C C . ASP C 3 173 ? -9.440 -6.953 -66.349 1.00 101.62 ? 151 ASP F C 1 ATOM 4271 O O . ASP C 3 173 ? -10.107 -6.203 -65.629 1.00 102.05 ? 151 ASP F O 1 ATOM 4272 C CB . ASP C 3 173 ? -11.646 -7.889 -67.294 1.00 101.02 ? 151 ASP F CB 1 ATOM 4273 C CG . ASP C 3 173 ? -12.385 -6.602 -67.627 1.00 112.24 ? 151 ASP F CG 1 ATOM 4274 O OD1 . ASP C 3 173 ? -12.172 -6.062 -68.736 1.00 112.93 ? 151 ASP F OD1 1 ATOM 4275 O OD2 . ASP C 3 173 ? -13.200 -6.154 -66.793 1.00 118.99 ? 151 ASP F OD2 1 ATOM 4276 N N . HIS C 3 174 ? -8.102 -7.066 -66.241 1.00 97.05 ? 152 HIS F N 1 ATOM 4277 C CA . HIS C 3 174 ? -7.282 -6.318 -65.289 1.00 96.72 ? 152 HIS F CA 1 ATOM 4278 C C . HIS C 3 174 ? -5.924 -6.000 -65.917 1.00 99.71 ? 152 HIS F C 1 ATOM 4279 O O . HIS C 3 174 ? -5.023 -6.845 -65.930 1.00 98.39 ? 152 HIS F O 1 ATOM 4280 C CB . HIS C 3 174 ? -7.152 -7.061 -63.940 1.00 96.93 ? 152 HIS F CB 1 ATOM 4281 C CG . HIS C 3 174 ? -6.374 -6.312 -62.899 1.00 100.31 ? 152 HIS F CG 1 ATOM 4282 N ND1 . HIS C 3 174 ? -6.745 -5.041 -62.493 1.00 103.00 ? 152 HIS F ND1 1 ATOM 4283 C CD2 . HIS C 3 174 ? -5.279 -6.689 -62.200 1.00 101.32 ? 152 HIS F CD2 1 ATOM 4284 C CE1 . HIS C 3 174 ? -5.859 -4.684 -61.578 1.00 102.10 ? 152 HIS F CE1 1 ATOM 4285 N NE2 . HIS C 3 174 ? -4.960 -5.644 -61.365 1.00 101.43 ? 152 HIS F NE2 1 ATOM 4286 N N . ALA C 3 175 ? -5.805 -4.785 -66.475 1.00 96.81 ? 153 ALA F N 1 ATOM 4287 C CA . ALA C 3 175 ? -4.597 -4.311 -67.143 1.00 96.60 ? 153 ALA F CA 1 ATOM 4288 C C . ALA C 3 175 ? -3.605 -3.701 -66.156 1.00 100.01 ? 153 ALA F C 1 ATOM 4289 O O . ALA C 3 175 ? -3.952 -2.778 -65.414 1.00 100.18 ? 153 ALA F O 1 ATOM 4290 C CB . ALA C 3 175 ? -4.956 -3.308 -68.230 1.00 98.55 ? 153 ALA F CB 1 ATOM 4291 N N . VAL C 3 176 ? -2.378 -4.247 -66.133 1.00 95.64 ? 154 VAL F N 1 ATOM 4292 C CA . VAL C 3 176 ? -1.280 -3.788 -65.279 1.00 95.39 ? 154 VAL F CA 1 ATOM 4293 C C . VAL C 3 176 ? -0.127 -3.367 -66.198 1.00 99.76 ? 154 VAL F C 1 ATOM 4294 O O . VAL C 3 176 ? 0.355 -4.177 -66.995 1.00 98.99 ? 154 VAL F O 1 ATOM 4295 C CB . VAL C 3 176 ? -0.867 -4.843 -64.207 1.00 98.13 ? 154 VAL F CB 1 ATOM 4296 C CG1 . VAL C 3 176 ? 0.399 -4.423 -63.461 1.00 98.05 ? 154 VAL F CG1 1 ATOM 4297 C CG2 . VAL C 3 176 ? -2.004 -5.096 -63.218 1.00 97.55 ? 154 VAL F CG2 1 ATOM 4298 N N . THR C 3 177 ? 0.279 -2.088 -66.111 1.00 97.34 ? 155 THR F N 1 ATOM 4299 C CA . THR C 3 177 ? 1.343 -1.528 -66.944 1.00 98.25 ? 155 THR F CA 1 ATOM 4300 C C . THR C 3 177 ? 2.657 -1.385 -66.175 1.00 101.96 ? 155 THR F C 1 ATOM 4301 O O . THR C 3 177 ? 2.728 -0.644 -65.192 1.00 101.80 ? 155 THR F O 1 ATOM 4302 C CB . THR C 3 177 ? 0.872 -0.235 -67.642 1.00 108.36 ? 155 THR F CB 1 ATOM 4303 O OG1 . THR C 3 177 ? -0.399 -0.469 -68.253 1.00 108.06 ? 155 THR F OG1 1 ATOM 4304 C CG2 . THR C 3 177 ? 1.861 0.264 -68.697 1.00 108.46 ? 155 THR F CG2 1 ATOM 4305 N N . VAL C 3 178 ? 3.688 -2.123 -66.625 1.00 98.20 ? 156 VAL F N 1 ATOM 4306 C CA . VAL C 3 178 ? 5.042 -2.117 -66.062 1.00 98.28 ? 156 VAL F CA 1 ATOM 4307 C C . VAL C 3 178 ? 6.004 -1.838 -67.220 1.00 103.36 ? 156 VAL F C 1 ATOM 4308 O O . VAL C 3 178 ? 5.993 -2.567 -68.217 1.00 102.75 ? 156 VAL F O 1 ATOM 4309 C CB . VAL C 3 178 ? 5.398 -3.426 -65.291 1.00 100.79 ? 156 VAL F CB 1 ATOM 4310 C CG1 . VAL C 3 178 ? 6.836 -3.398 -64.776 1.00 101.22 ? 156 VAL F CG1 1 ATOM 4311 C CG2 . VAL C 3 178 ? 4.432 -3.675 -64.135 1.00 99.33 ? 156 VAL F CG2 1 ATOM 4312 N N . LYS C 3 179 ? 6.816 -0.768 -67.086 1.00 101.27 ? 157 LYS F N 1 ATOM 4313 C CA . LYS C 3 179 ? 7.788 -0.302 -68.082 1.00 102.89 ? 157 LYS F CA 1 ATOM 4314 C C . LYS C 3 179 ? 7.147 -0.029 -69.460 1.00 107.23 ? 157 LYS F C 1 ATOM 4315 O O . LYS C 3 179 ? 7.699 -0.409 -70.497 1.00 107.53 ? 157 LYS F O 1 ATOM 4316 C CB . LYS C 3 179 ? 9.029 -1.220 -68.162 1.00 105.53 ? 157 LYS F CB 1 ATOM 4317 C CG . LYS C 3 179 ? 10.257 -0.680 -67.432 1.00 121.23 ? 157 LYS F CG 1 ATOM 4318 C CD . LYS C 3 179 ? 10.414 -1.273 -66.033 1.00 129.79 ? 157 LYS F CD 1 ATOM 4319 C CE . LYS C 3 179 ? 11.648 -0.772 -65.318 1.00 141.60 ? 157 LYS F CE 1 ATOM 4320 N NZ . LYS C 3 179 ? 11.479 0.616 -64.809 1.00 151.33 ? 157 LYS F NZ 1 ATOM 4321 N N . ASP C 3 180 ? 5.958 0.623 -69.445 1.00 103.48 ? 158 ASP F N 1 ATOM 4322 C CA . ASP C 3 180 ? 5.124 0.996 -70.601 1.00 103.89 ? 158 ASP F CA 1 ATOM 4323 C C . ASP C 3 180 ? 4.433 -0.180 -71.333 1.00 105.96 ? 158 ASP F C 1 ATOM 4324 O O . ASP C 3 180 ? 3.667 0.050 -72.274 1.00 105.84 ? 158 ASP F O 1 ATOM 4325 C CB . ASP C 3 180 ? 5.852 1.962 -71.565 1.00 108.24 ? 158 ASP F CB 1 ATOM 4326 C CG . ASP C 3 180 ? 4.948 2.976 -72.243 1.00 119.40 ? 158 ASP F CG 1 ATOM 4327 O OD1 . ASP C 3 180 ? 4.951 3.031 -73.492 1.00 120.83 ? 158 ASP F OD1 1 ATOM 4328 O OD2 . ASP C 3 180 ? 4.252 3.727 -71.523 1.00 125.45 ? 158 ASP F OD2 1 ATOM 4329 N N . ALA C 3 181 ? 4.669 -1.425 -70.875 1.00 100.73 ? 159 ALA F N 1 ATOM 4330 C CA . ALA C 3 181 ? 4.065 -2.627 -71.450 1.00 99.07 ? 159 ALA F CA 1 ATOM 4331 C C . ALA C 3 181 ? 2.813 -3.009 -70.656 1.00 100.98 ? 159 ALA F C 1 ATOM 4332 O O . ALA C 3 181 ? 2.899 -3.243 -69.448 1.00 99.77 ? 159 ALA F O 1 ATOM 4333 C CB . ALA C 3 181 ? 5.070 -3.771 -71.453 1.00 99.32 ? 159 ALA F CB 1 ATOM 4334 N N . LYS C 3 182 ? 1.646 -3.030 -71.329 1.00 96.92 ? 160 LYS F N 1 ATOM 4335 C CA . LYS C 3 182 ? 0.360 -3.365 -70.713 1.00 95.40 ? 160 LYS F CA 1 ATOM 4336 C C . LYS C 3 182 ? 0.173 -4.883 -70.668 1.00 97.17 ? 160 LYS F C 1 ATOM 4337 O O . LYS C 3 182 ? 0.253 -5.545 -71.705 1.00 96.54 ? 160 LYS F O 1 ATOM 4338 C CB . LYS C 3 182 ? -0.797 -2.675 -71.459 1.00 98.66 ? 160 LYS F CB 1 ATOM 4339 C CG . LYS C 3 182 ? -2.125 -2.699 -70.708 1.00 112.85 ? 160 LYS F CG 1 ATOM 4340 C CD . LYS C 3 182 ? -3.271 -2.151 -71.555 1.00 124.19 ? 160 LYS F CD 1 ATOM 4341 C CE . LYS C 3 182 ? -3.724 -0.774 -71.125 1.00 137.17 ? 160 LYS F CE 1 ATOM 4342 N NZ . LYS C 3 182 ? -2.767 0.289 -71.535 1.00 148.19 ? 160 LYS F NZ 1 ATOM 4343 N N . PHE C 3 183 ? -0.070 -5.427 -69.462 1.00 92.34 ? 161 PHE F N 1 ATOM 4344 C CA . PHE C 3 183 ? -0.254 -6.861 -69.239 1.00 90.73 ? 161 PHE F CA 1 ATOM 4345 C C . PHE C 3 183 ? -1.687 -7.213 -68.860 1.00 93.19 ? 161 PHE F C 1 ATOM 4346 O O . PHE C 3 183 ? -2.252 -6.617 -67.941 1.00 92.90 ? 161 PHE F O 1 ATOM 4347 C CB . PHE C 3 183 ? 0.706 -7.374 -68.152 1.00 92.11 ? 161 PHE F CB 1 ATOM 4348 C CG . PHE C 3 183 ? 2.161 -7.457 -68.543 1.00 94.30 ? 161 PHE F CG 1 ATOM 4349 C CD1 . PHE C 3 183 ? 2.720 -8.660 -68.954 1.00 97.07 ? 161 PHE F CD1 1 ATOM 4350 C CD2 . PHE C 3 183 ? 2.986 -6.342 -68.456 1.00 97.64 ? 161 PHE F CD2 1 ATOM 4351 C CE1 . PHE C 3 183 ? 4.075 -8.742 -69.291 1.00 98.77 ? 161 PHE F CE1 1 ATOM 4352 C CE2 . PHE C 3 183 ? 4.337 -6.422 -68.803 1.00 101.27 ? 161 PHE F CE2 1 ATOM 4353 C CZ . PHE C 3 183 ? 4.873 -7.621 -69.219 1.00 99.02 ? 161 PHE F CZ 1 ATOM 4354 N N . ILE C 3 184 ? -2.265 -8.194 -69.570 1.00 88.62 ? 162 ILE F N 1 ATOM 4355 C CA . ILE C 3 184 ? -3.605 -8.727 -69.320 1.00 87.78 ? 162 ILE F CA 1 ATOM 4356 C C . ILE C 3 184 ? -3.434 -10.237 -69.114 1.00 90.09 ? 162 ILE F C 1 ATOM 4357 O O . ILE C 3 184 ? -3.077 -10.958 -70.050 1.00 89.50 ? 162 ILE F O 1 ATOM 4358 C CB . ILE C 3 184 ? -4.636 -8.343 -70.429 1.00 91.43 ? 162 ILE F CB 1 ATOM 4359 C CG1 . ILE C 3 184 ? -4.882 -6.813 -70.451 1.00 92.95 ? 162 ILE F CG1 1 ATOM 4360 C CG2 . ILE C 3 184 ? -5.964 -9.103 -70.243 1.00 91.92 ? 162 ILE F CG2 1 ATOM 4361 C CD1 . ILE C 3 184 ? -5.356 -6.230 -71.795 1.00 101.41 ? 162 ILE F CD1 1 ATOM 4362 N N . VAL C 3 185 ? -3.627 -10.689 -67.867 1.00 85.66 ? 163 VAL F N 1 ATOM 4363 C CA . VAL C 3 185 ? -3.466 -12.085 -67.452 1.00 84.56 ? 163 VAL F CA 1 ATOM 4364 C C . VAL C 3 185 ? -4.831 -12.787 -67.386 1.00 87.57 ? 163 VAL F C 1 ATOM 4365 O O . VAL C 3 185 ? -5.785 -12.229 -66.840 1.00 87.59 ? 163 VAL F O 1 ATOM 4366 C CB . VAL C 3 185 ? -2.662 -12.164 -66.118 1.00 88.26 ? 163 VAL F CB 1 ATOM 4367 C CG1 . VAL C 3 185 ? -2.681 -13.564 -65.511 1.00 87.71 ? 163 VAL F CG1 1 ATOM 4368 C CG2 . VAL C 3 185 ? -1.224 -11.688 -66.312 1.00 88.20 ? 163 VAL F CG2 1 ATOM 4369 N N . GLY C 3 186 ? -4.901 -13.989 -67.958 1.00 83.13 ? 164 GLY F N 1 ATOM 4370 C CA . GLY C 3 186 ? -6.106 -14.811 -67.976 1.00 82.83 ? 164 GLY F CA 1 ATOM 4371 C C . GLY C 3 186 ? -7.061 -14.528 -69.124 1.00 86.24 ? 164 GLY F C 1 ATOM 4372 O O . GLY C 3 186 ? -6.672 -13.873 -70.096 1.00 85.84 ? 164 GLY F O 1 ATOM 4373 N N . PRO C 3 187 ? -8.329 -15.013 -69.069 1.00 82.58 ? 165 PRO F N 1 ATOM 4374 C CA . PRO C 3 187 ? -8.959 -15.811 -67.997 1.00 82.47 ? 165 PRO F CA 1 ATOM 4375 C C . PRO C 3 187 ? -8.469 -17.258 -67.939 1.00 85.05 ? 165 PRO F C 1 ATOM 4376 O O . PRO C 3 187 ? -8.133 -17.834 -68.975 1.00 84.25 ? 165 PRO F O 1 ATOM 4377 C CB . PRO C 3 187 ? -10.454 -15.710 -68.325 1.00 85.14 ? 165 PRO F CB 1 ATOM 4378 C CG . PRO C 3 187 ? -10.497 -15.565 -69.814 1.00 89.46 ? 165 PRO F CG 1 ATOM 4379 C CD . PRO C 3 187 ? -9.277 -14.751 -70.173 1.00 84.45 ? 165 PRO F CD 1 ATOM 4380 N N . MET C 3 188 ? -8.428 -17.832 -66.720 1.00 81.07 ? 166 MET F N 1 ATOM 4381 C CA . MET C 3 188 ? -7.981 -19.203 -66.433 1.00 80.51 ? 166 MET F CA 1 ATOM 4382 C C . MET C 3 188 ? -8.784 -20.235 -67.228 1.00 83.68 ? 166 MET F C 1 ATOM 4383 O O . MET C 3 188 ? -10.014 -20.141 -67.278 1.00 83.97 ? 166 MET F O 1 ATOM 4384 C CB . MET C 3 188 ? -8.094 -19.505 -64.925 1.00 83.38 ? 166 MET F CB 1 ATOM 4385 C CG . MET C 3 188 ? -7.291 -18.564 -64.041 1.00 86.62 ? 166 MET F CG 1 ATOM 4386 S SD . MET C 3 188 ? -5.528 -18.959 -63.970 1.00 90.13 ? 166 MET F SD 1 ATOM 4387 C CE . MET C 3 188 ? -5.526 -20.170 -62.671 1.00 87.44 ? 166 MET F CE 1 ATOM 4388 N N . SER C 3 189 ? -8.088 -21.206 -67.860 1.00 79.00 ? 167 SER F N 1 ATOM 4389 C CA . SER C 3 189 ? -8.719 -22.270 -68.650 1.00 78.79 ? 167 SER F CA 1 ATOM 4390 C C . SER C 3 189 ? -9.535 -23.207 -67.760 1.00 82.77 ? 167 SER F C 1 ATOM 4391 O O . SER C 3 189 ? -10.579 -23.704 -68.185 1.00 83.05 ? 167 SER F O 1 ATOM 4392 C CB . SER C 3 189 ? -7.675 -23.062 -69.431 1.00 81.76 ? 167 SER F CB 1 ATOM 4393 O OG . SER C 3 189 ? -6.836 -23.826 -68.579 1.00 90.34 ? 167 SER F OG 1 ATOM 4394 N N . SER C 3 190 ? -9.053 -23.434 -66.524 1.00 78.79 ? 168 SER F N 1 ATOM 4395 C CA . SER C 3 190 ? -9.705 -24.275 -65.528 1.00 79.46 ? 168 SER F CA 1 ATOM 4396 C C . SER C 3 190 ? -10.249 -23.411 -64.393 1.00 82.78 ? 168 SER F C 1 ATOM 4397 O O . SER C 3 190 ? -9.525 -22.573 -63.848 1.00 81.61 ? 168 SER F O 1 ATOM 4398 C CB . SER C 3 190 ? -8.731 -25.318 -64.986 1.00 83.12 ? 168 SER F CB 1 ATOM 4399 O OG . SER C 3 190 ? -9.393 -26.261 -64.159 1.00 93.11 ? 168 SER F OG 1 ATOM 4400 N N . ALA C 3 191 ? -11.534 -23.609 -64.057 1.00 79.93 ? 169 ALA F N 1 ATOM 4401 C CA . ALA C 3 191 ? -12.228 -22.901 -62.979 1.00 80.15 ? 169 ALA F CA 1 ATOM 4402 C C . ALA C 3 191 ? -12.214 -23.744 -61.689 1.00 84.07 ? 169 ALA F C 1 ATOM 4403 O O . ALA C 3 191 ? -12.926 -23.430 -60.729 1.00 84.67 ? 169 ALA F O 1 ATOM 4404 C CB . ALA C 3 191 ? -13.658 -22.589 -63.401 1.00 82.00 ? 169 ALA F CB 1 ATOM 4405 N N . TRP C 3 192 ? -11.375 -24.803 -61.672 1.00 79.69 ? 170 TRP F N 1 ATOM 4406 C CA . TRP C 3 192 ? -11.206 -25.741 -60.564 1.00 80.22 ? 170 TRP F CA 1 ATOM 4407 C C . TRP C 3 192 ? -10.628 -25.078 -59.317 1.00 82.80 ? 170 TRP F C 1 ATOM 4408 O O . TRP C 3 192 ? -9.718 -24.251 -59.407 1.00 80.80 ? 170 TRP F O 1 ATOM 4409 C CB . TRP C 3 192 ? -10.338 -26.939 -60.995 1.00 78.82 ? 170 TRP F CB 1 ATOM 4410 C CG . TRP C 3 192 ? -10.217 -28.019 -59.959 1.00 81.19 ? 170 TRP F CG 1 ATOM 4411 C CD1 . TRP C 3 192 ? -11.048 -29.085 -59.785 1.00 86.03 ? 170 TRP F CD1 1 ATOM 4412 C CD2 . TRP C 3 192 ? -9.210 -28.124 -58.944 1.00 80.83 ? 170 TRP F CD2 1 ATOM 4413 N NE1 . TRP C 3 192 ? -10.621 -29.851 -58.725 1.00 86.57 ? 170 TRP F NE1 1 ATOM 4414 C CE2 . TRP C 3 192 ? -9.495 -29.282 -58.188 1.00 86.63 ? 170 TRP F CE2 1 ATOM 4415 C CE3 . TRP C 3 192 ? -8.091 -27.347 -58.595 1.00 80.61 ? 170 TRP F CE3 1 ATOM 4416 C CZ2 . TRP C 3 192 ? -8.702 -29.685 -57.108 1.00 86.33 ? 170 TRP F CZ2 1 ATOM 4417 C CZ3 . TRP C 3 192 ? -7.310 -27.745 -57.522 1.00 82.42 ? 170 TRP F CZ3 1 ATOM 4418 C CH2 . TRP C 3 192 ? -7.610 -28.906 -56.798 1.00 84.89 ? 170 TRP F CH2 1 ATOM 4419 N N . THR C 3 193 ? -11.157 -25.475 -58.155 1.00 80.33 ? 171 THR F N 1 ATOM 4420 C CA . THR C 3 193 ? -10.747 -25.004 -56.833 1.00 79.78 ? 171 THR F CA 1 ATOM 4421 C C . THR C 3 193 ? -10.683 -26.194 -55.856 1.00 84.31 ? 171 THR F C 1 ATOM 4422 O O . THR C 3 193 ? -11.580 -27.043 -55.891 1.00 85.55 ? 171 THR F O 1 ATOM 4423 C CB . THR C 3 193 ? -11.625 -23.817 -56.358 1.00 88.25 ? 171 THR F CB 1 ATOM 4424 O OG1 . THR C 3 193 ? -11.201 -23.396 -55.061 1.00 87.71 ? 171 THR F OG1 1 ATOM 4425 C CG2 . THR C 3 193 ? -13.127 -24.135 -56.339 1.00 89.06 ? 171 THR F CG2 1 ATOM 4426 N N . PRO C 3 194 ? -9.641 -26.300 -54.992 1.00 76.19 ? 172 PRO F N 1 ATOM 4427 C CA . PRO C 3 194 ? -9.593 -27.433 -54.049 1.00 75.15 ? 172 PRO F CA 1 ATOM 4428 C C . PRO C 3 194 ? -10.639 -27.335 -52.938 1.00 77.30 ? 172 PRO F C 1 ATOM 4429 O O . PRO C 3 194 ? -10.878 -28.318 -52.238 1.00 76.50 ? 172 PRO F O 1 ATOM 4430 C CB . PRO C 3 194 ? -8.168 -27.377 -53.497 1.00 76.88 ? 172 PRO F CB 1 ATOM 4431 C CG . PRO C 3 194 ? -7.780 -25.960 -53.605 1.00 81.38 ? 172 PRO F CG 1 ATOM 4432 C CD . PRO C 3 194 ? -8.487 -25.395 -54.805 1.00 77.77 ? 172 PRO F CD 1 ATOM 4433 N N . PHE C 3 195 ? -11.263 -26.151 -52.790 1.00 73.14 ? 173 PHE F N 1 ATOM 4434 C CA . PHE C 3 195 ? -12.290 -25.869 -51.791 1.00 71.93 ? 173 PHE F CA 1 ATOM 4435 C C . PHE C 3 195 ? -13.687 -26.189 -52.316 1.00 75.89 ? 173 PHE F C 1 ATOM 4436 O O . PHE C 3 195 ? -14.013 -25.858 -53.460 1.00 76.41 ? 173 PHE F O 1 ATOM 4437 C CB . PHE C 3 195 ? -12.235 -24.392 -51.350 1.00 73.50 ? 173 PHE F CB 1 ATOM 4438 C CG . PHE C 3 195 ? -10.880 -23.860 -50.942 1.00 74.83 ? 173 PHE F CG 1 ATOM 4439 C CD1 . PHE C 3 195 ? -10.298 -24.240 -49.738 1.00 77.03 ? 173 PHE F CD1 1 ATOM 4440 C CD2 . PHE C 3 195 ? -10.209 -22.938 -51.737 1.00 77.79 ? 173 PHE F CD2 1 ATOM 4441 C CE1 . PHE C 3 195 ? -9.052 -23.736 -49.355 1.00 77.91 ? 173 PHE F CE1 1 ATOM 4442 C CE2 . PHE C 3 195 ? -8.966 -22.429 -51.350 1.00 80.60 ? 173 PHE F CE2 1 ATOM 4443 C CZ . PHE C 3 195 ? -8.395 -22.833 -50.162 1.00 77.80 ? 173 PHE F CZ 1 ATOM 4444 N N . ASP C 3 196 ? -14.518 -26.812 -51.463 1.00 71.58 ? 174 ASP F N 1 ATOM 4445 C CA . ASP C 3 196 ? -15.913 -27.135 -51.769 1.00 71.63 ? 174 ASP F CA 1 ATOM 4446 C C . ASP C 3 196 ? -16.801 -25.952 -51.338 1.00 74.93 ? 174 ASP F C 1 ATOM 4447 O O . ASP C 3 196 ? -16.266 -24.911 -50.947 1.00 74.29 ? 174 ASP F O 1 ATOM 4448 C CB . ASP C 3 196 ? -16.335 -28.442 -51.064 1.00 73.16 ? 174 ASP F CB 1 ATOM 4449 C CG . ASP C 3 196 ? -15.706 -29.709 -51.621 1.00 83.92 ? 174 ASP F CG 1 ATOM 4450 O OD1 . ASP C 3 196 ? -15.573 -29.815 -52.863 1.00 85.33 ? 174 ASP F OD1 1 ATOM 4451 O OD2 . ASP C 3 196 ? -15.406 -30.621 -50.822 1.00 89.68 ? 174 ASP F OD2 1 ATOM 4452 N N . ASN C 3 197 ? -18.142 -26.097 -51.418 1.00 71.53 ? 175 ASN F N 1 ATOM 4453 C CA . ASN C 3 197 ? -19.091 -25.047 -51.026 1.00 71.50 ? 175 ASN F CA 1 ATOM 4454 C C . ASN C 3 197 ? -19.024 -24.751 -49.522 1.00 73.72 ? 175 ASN F C 1 ATOM 4455 O O . ASN C 3 197 ? -19.174 -23.595 -49.121 1.00 73.49 ? 175 ASN F O 1 ATOM 4456 C CB . ASN C 3 197 ? -20.518 -25.412 -51.447 1.00 73.55 ? 175 ASN F CB 1 ATOM 4457 C CG . ASN C 3 197 ? -21.523 -24.297 -51.260 1.00 98.71 ? 175 ASN F CG 1 ATOM 4458 O OD1 . ASN C 3 197 ? -21.423 -23.221 -51.864 1.00 94.30 ? 175 ASN F OD1 1 ATOM 4459 N ND2 . ASN C 3 197 ? -22.524 -24.537 -50.427 1.00 90.72 ? 175 ASN F ND2 1 ATOM 4460 N N . LYS C 3 198 ? -18.785 -25.792 -48.702 1.00 68.91 ? 176 LYS F N 1 ATOM 4461 C CA . LYS C 3 198 ? -18.678 -25.690 -47.247 1.00 67.56 ? 176 LYS F CA 1 ATOM 4462 C C . LYS C 3 198 ? -17.269 -26.067 -46.777 1.00 69.99 ? 176 LYS F C 1 ATOM 4463 O O . LYS C 3 198 ? -16.784 -27.156 -47.098 1.00 69.49 ? 176 LYS F O 1 ATOM 4464 C CB . LYS C 3 198 ? -19.738 -26.570 -46.564 1.00 69.96 ? 176 LYS F CB 1 ATOM 4465 C CG . LYS C 3 198 ? -21.125 -25.946 -46.510 1.00 83.79 ? 176 LYS F CG 1 ATOM 4466 C CD . LYS C 3 198 ? -22.063 -26.771 -45.643 1.00 93.37 ? 176 LYS F CD 1 ATOM 4467 C CE . LYS C 3 198 ? -23.403 -26.106 -45.456 1.00 105.04 ? 176 LYS F CE 1 ATOM 4468 N NZ . LYS C 3 198 ? -24.291 -26.895 -44.562 1.00 113.90 ? 176 LYS F NZ 1 ATOM 4469 N N . ILE C 3 199 ? -16.602 -25.150 -46.045 1.00 65.68 ? 177 ILE F N 1 ATOM 4470 C CA . ILE C 3 199 ? -15.242 -25.353 -45.519 1.00 64.69 ? 177 ILE F CA 1 ATOM 4471 C C . ILE C 3 199 ? -15.127 -25.061 -44.019 1.00 67.47 ? 177 ILE F C 1 ATOM 4472 O O . ILE C 3 199 ? -15.881 -24.243 -43.488 1.00 67.10 ? 177 ILE F O 1 ATOM 4473 C CB . ILE C 3 199 ? -14.132 -24.627 -46.340 1.00 68.10 ? 177 ILE F CB 1 ATOM 4474 C CG1 . ILE C 3 199 ? -14.315 -23.091 -46.365 1.00 68.88 ? 177 ILE F CG1 1 ATOM 4475 C CG2 . ILE C 3 199 ? -13.976 -25.213 -47.744 1.00 69.45 ? 177 ILE F CG2 1 ATOM 4476 C CD1 . ILE C 3 199 ? -13.018 -22.308 -46.203 1.00 75.70 ? 177 ILE F CD1 1 ATOM 4477 N N . VAL C 3 200 ? -14.166 -25.727 -43.350 1.00 63.28 ? 178 VAL F N 1 ATOM 4478 C CA . VAL C 3 200 ? -13.875 -25.567 -41.922 1.00 62.39 ? 178 VAL F CA 1 ATOM 4479 C C . VAL C 3 200 ? -12.415 -25.122 -41.757 1.00 65.72 ? 178 VAL F C 1 ATOM 4480 O O . VAL C 3 200 ? -11.517 -25.750 -42.320 1.00 65.49 ? 178 VAL F O 1 ATOM 4481 C CB . VAL C 3 200 ? -14.229 -26.841 -41.103 1.00 66.23 ? 178 VAL F CB 1 ATOM 4482 C CG1 . VAL C 3 200 ? -13.676 -26.772 -39.680 1.00 65.64 ? 178 VAL F CG1 1 ATOM 4483 C CG2 . VAL C 3 200 ? -15.738 -27.072 -41.082 1.00 66.24 ? 178 VAL F CG2 1 ATOM 4484 N N . VAL C 3 201 ? -12.190 -24.023 -41.009 1.00 61.88 ? 179 VAL F N 1 ATOM 4485 C CA . VAL C 3 201 ? -10.855 -23.455 -40.790 1.00 61.65 ? 179 VAL F CA 1 ATOM 4486 C C . VAL C 3 201 ? -10.436 -23.511 -39.315 1.00 64.95 ? 179 VAL F C 1 ATOM 4487 O O . VAL C 3 201 ? -11.137 -22.978 -38.451 1.00 64.47 ? 179 VAL F O 1 ATOM 4488 C CB . VAL C 3 201 ? -10.725 -22.014 -41.377 1.00 65.97 ? 179 VAL F CB 1 ATOM 4489 C CG1 . VAL C 3 201 ? -9.304 -21.471 -41.226 1.00 65.96 ? 179 VAL F CG1 1 ATOM 4490 C CG2 . VAL C 3 201 ? -11.158 -21.964 -42.839 1.00 66.35 ? 179 VAL F CG2 1 ATOM 4491 N N . TYR C 3 202 ? -9.279 -24.140 -39.043 1.00 61.25 ? 180 TYR F N 1 ATOM 4492 C CA . TYR C 3 202 ? -8.677 -24.216 -37.714 1.00 60.80 ? 180 TYR F CA 1 ATOM 4493 C C . TYR C 3 202 ? -7.224 -23.755 -37.818 1.00 64.82 ? 180 TYR F C 1 ATOM 4494 O O . TYR C 3 202 ? -6.385 -24.470 -38.375 1.00 64.81 ? 180 TYR F O 1 ATOM 4495 C CB . TYR C 3 202 ? -8.800 -25.624 -37.091 1.00 62.01 ? 180 TYR F CB 1 ATOM 4496 C CG . TYR C 3 202 ? -8.023 -25.783 -35.798 1.00 63.88 ? 180 TYR F CG 1 ATOM 4497 C CD1 . TYR C 3 202 ? -8.483 -25.221 -34.609 1.00 65.56 ? 180 TYR F CD1 1 ATOM 4498 C CD2 . TYR C 3 202 ? -6.821 -26.483 -35.766 1.00 65.25 ? 180 TYR F CD2 1 ATOM 4499 C CE1 . TYR C 3 202 ? -7.760 -25.344 -33.423 1.00 66.54 ? 180 TYR F CE1 1 ATOM 4500 C CE2 . TYR C 3 202 ? -6.092 -26.617 -34.585 1.00 66.49 ? 180 TYR F CE2 1 ATOM 4501 C CZ . TYR C 3 202 ? -6.564 -26.044 -33.416 1.00 73.41 ? 180 TYR F CZ 1 ATOM 4502 O OH . TYR C 3 202 ? -5.853 -26.186 -32.249 1.00 74.77 ? 180 TYR F OH 1 ATOM 4503 N N . LYS C 3 203 ? -6.947 -22.541 -37.298 1.00 61.25 ? 181 LYS F N 1 ATOM 4504 C CA . LYS C 3 203 ? -5.636 -21.879 -37.295 1.00 61.46 ? 181 LYS F CA 1 ATOM 4505 C C . LYS C 3 203 ? -5.038 -21.764 -38.711 1.00 65.59 ? 181 LYS F C 1 ATOM 4506 O O . LYS C 3 203 ? -5.517 -20.949 -39.500 1.00 65.33 ? 181 LYS F O 1 ATOM 4507 C CB . LYS C 3 203 ? -4.670 -22.514 -36.269 1.00 64.18 ? 181 LYS F CB 1 ATOM 4508 C CG . LYS C 3 203 ? -5.107 -22.327 -34.823 1.00 77.18 ? 181 LYS F CG 1 ATOM 4509 C CD . LYS C 3 203 ? -4.137 -22.972 -33.857 1.00 87.20 ? 181 LYS F CD 1 ATOM 4510 C CE . LYS C 3 203 ? -4.576 -22.775 -32.431 1.00 97.78 ? 181 LYS F CE 1 ATOM 4511 N NZ . LYS C 3 203 ? -3.600 -23.357 -31.474 1.00 107.42 ? 181 LYS F NZ 1 ATOM 4512 N N . GLY C 3 204 ? -4.047 -22.599 -39.026 1.00 62.43 ? 182 GLY F N 1 ATOM 4513 C CA . GLY C 3 204 ? -3.395 -22.622 -40.331 1.00 62.83 ? 182 GLY F CA 1 ATOM 4514 C C . GLY C 3 204 ? -3.834 -23.768 -41.223 1.00 66.62 ? 182 GLY F C 1 ATOM 4515 O O . GLY C 3 204 ? -3.240 -23.984 -42.283 1.00 66.81 ? 182 GLY F O 1 ATOM 4516 N N . ASP C 3 205 ? -4.884 -24.505 -40.806 1.00 62.61 ? 183 ASP F N 1 ATOM 4517 C CA . ASP C 3 205 ? -5.412 -25.659 -41.534 1.00 62.58 ? 183 ASP F CA 1 ATOM 4518 C C . ASP C 3 205 ? -6.850 -25.462 -42.015 1.00 65.83 ? 183 ASP F C 1 ATOM 4519 O O . ASP C 3 205 ? -7.698 -24.989 -41.257 1.00 64.76 ? 183 ASP F O 1 ATOM 4520 C CB . ASP C 3 205 ? -5.296 -26.933 -40.681 1.00 64.66 ? 183 ASP F CB 1 ATOM 4521 C CG . ASP C 3 205 ? -3.869 -27.347 -40.374 1.00 75.39 ? 183 ASP F CG 1 ATOM 4522 O OD1 . ASP C 3 205 ? -3.185 -27.850 -41.293 1.00 76.95 ? 183 ASP F OD1 1 ATOM 4523 O OD2 . ASP C 3 205 ? -3.444 -27.190 -39.211 1.00 80.82 ? 183 ASP F OD2 1 ATOM 4524 N N . VAL C 3 206 ? -7.114 -25.834 -43.283 1.00 62.85 ? 184 VAL F N 1 ATOM 4525 C CA . VAL C 3 206 ? -8.430 -25.747 -43.934 1.00 62.43 ? 184 VAL F CA 1 ATOM 4526 C C . VAL C 3 206 ? -8.902 -27.172 -44.269 1.00 66.54 ? 184 VAL F C 1 ATOM 4527 O O . VAL C 3 206 ? -8.106 -27.986 -44.743 1.00 66.76 ? 184 VAL F O 1 ATOM 4528 C CB . VAL C 3 206 ? -8.416 -24.818 -45.187 1.00 66.76 ? 184 VAL F CB 1 ATOM 4529 C CG1 . VAL C 3 206 ? -9.813 -24.661 -45.788 1.00 66.55 ? 184 VAL F CG1 1 ATOM 4530 C CG2 . VAL C 3 206 ? -7.837 -23.448 -44.854 1.00 66.59 ? 184 VAL F CG2 1 ATOM 4531 N N . TYR C 3 207 ? -10.188 -27.467 -44.009 1.00 62.74 ? 185 TYR F N 1 ATOM 4532 C CA . TYR C 3 207 ? -10.792 -28.777 -44.256 1.00 62.99 ? 185 TYR F CA 1 ATOM 4533 C C . TYR C 3 207 ? -12.080 -28.658 -45.070 1.00 67.08 ? 185 TYR F C 1 ATOM 4534 O O . TYR C 3 207 ? -12.903 -27.779 -44.800 1.00 66.21 ? 185 TYR F O 1 ATOM 4535 C CB . TYR C 3 207 ? -11.085 -29.499 -42.923 1.00 63.92 ? 185 TYR F CB 1 ATOM 4536 C CG . TYR C 3 207 ? -9.855 -29.847 -42.110 1.00 65.88 ? 185 TYR F CG 1 ATOM 4537 C CD1 . TYR C 3 207 ? -9.272 -31.108 -42.195 1.00 68.86 ? 185 TYR F CD1 1 ATOM 4538 C CD2 . TYR C 3 207 ? -9.299 -28.929 -41.223 1.00 66.09 ? 185 TYR F CD2 1 ATOM 4539 C CE1 . TYR C 3 207 ? -8.152 -31.440 -41.433 1.00 70.10 ? 185 TYR F CE1 1 ATOM 4540 C CE2 . TYR C 3 207 ? -8.168 -29.243 -40.472 1.00 67.40 ? 185 TYR F CE2 1 ATOM 4541 C CZ . TYR C 3 207 ? -7.595 -30.499 -40.583 1.00 75.75 ? 185 TYR F CZ 1 ATOM 4542 O OH . TYR C 3 207 ? -6.477 -30.808 -39.848 1.00 77.32 ? 185 TYR F OH 1 ATOM 4543 N N . ASN C 3 208 ? -12.258 -29.553 -46.059 1.00 64.43 ? 186 ASN F N 1 ATOM 4544 C CA . ASN C 3 208 ? -13.473 -29.617 -46.869 1.00 64.51 ? 186 ASN F CA 1 ATOM 4545 C C . ASN C 3 208 ? -14.458 -30.457 -46.066 1.00 68.46 ? 186 ASN F C 1 ATOM 4546 O O . ASN C 3 208 ? -14.260 -31.667 -45.922 1.00 68.64 ? 186 ASN F O 1 ATOM 4547 C CB . ASN C 3 208 ? -13.197 -30.252 -48.240 1.00 65.93 ? 186 ASN F CB 1 ATOM 4548 C CG . ASN C 3 208 ? -12.800 -29.290 -49.336 1.00 87.71 ? 186 ASN F CG 1 ATOM 4549 O OD1 . ASN C 3 208 ? -12.999 -28.071 -49.256 1.00 80.61 ? 186 ASN F OD1 1 ATOM 4550 N ND2 . ASN C 3 208 ? -12.273 -29.833 -50.419 1.00 80.82 ? 186 ASN F ND2 1 ATOM 4551 N N . MET C 3 209 ? -15.470 -29.806 -45.471 1.00 64.64 ? 187 MET F N 1 ATOM 4552 C CA . MET C 3 209 ? -16.437 -30.497 -44.623 1.00 64.57 ? 187 MET F CA 1 ATOM 4553 C C . MET C 3 209 ? -17.852 -29.953 -44.770 1.00 68.45 ? 187 MET F C 1 ATOM 4554 O O . MET C 3 209 ? -18.068 -28.744 -44.656 1.00 67.76 ? 187 MET F O 1 ATOM 4555 C CB . MET C 3 209 ? -15.987 -30.431 -43.152 1.00 66.36 ? 187 MET F CB 1 ATOM 4556 C CG . MET C 3 209 ? -16.690 -31.426 -42.250 1.00 70.39 ? 187 MET F CG 1 ATOM 4557 S SD . MET C 3 209 ? -17.248 -30.687 -40.697 1.00 73.93 ? 187 MET F SD 1 ATOM 4558 C CE . MET C 3 209 ? -15.729 -30.660 -39.792 1.00 70.25 ? 187 MET F CE 1 ATOM 4559 N N . ASP C 3 210 ? -18.821 -30.863 -44.975 1.00 65.49 ? 188 ASP F N 1 ATOM 4560 C CA . ASP C 3 210 ? -20.240 -30.534 -45.068 1.00 65.58 ? 188 ASP F CA 1 ATOM 4561 C C . ASP C 3 210 ? -20.762 -30.452 -43.624 1.00 68.72 ? 188 ASP F C 1 ATOM 4562 O O . ASP C 3 210 ? -21.452 -31.358 -43.144 1.00 68.80 ? 188 ASP F O 1 ATOM 4563 C CB . ASP C 3 210 ? -20.990 -31.589 -45.912 1.00 68.49 ? 188 ASP F CB 1 ATOM 4564 C CG . ASP C 3 210 ? -22.457 -31.286 -46.155 1.00 79.28 ? 188 ASP F CG 1 ATOM 4565 O OD1 . ASP C 3 210 ? -22.756 -30.224 -46.745 1.00 79.92 ? 188 ASP F OD1 1 ATOM 4566 O OD2 . ASP C 3 210 ? -23.304 -32.128 -45.788 1.00 85.87 ? 188 ASP F OD2 1 ATOM 4567 N N . TYR C 3 211 ? -20.359 -29.377 -42.917 1.00 64.14 ? 189 TYR F N 1 ATOM 4568 C CA . TYR C 3 211 ? -20.699 -29.114 -41.518 1.00 63.35 ? 189 TYR F CA 1 ATOM 4569 C C . TYR C 3 211 ? -22.211 -28.964 -41.288 1.00 67.52 ? 189 TYR F C 1 ATOM 4570 O O . TYR C 3 211 ? -22.902 -28.475 -42.186 1.00 67.64 ? 189 TYR F O 1 ATOM 4571 C CB . TYR C 3 211 ? -19.923 -27.890 -40.978 1.00 63.73 ? 189 TYR F CB 1 ATOM 4572 C CG . TYR C 3 211 ? -20.132 -26.599 -41.744 1.00 65.51 ? 189 TYR F CG 1 ATOM 4573 C CD1 . TYR C 3 211 ? -21.225 -25.777 -41.480 1.00 67.97 ? 189 TYR F CD1 1 ATOM 4574 C CD2 . TYR C 3 211 ? -19.196 -26.159 -42.675 1.00 66.12 ? 189 TYR F CD2 1 ATOM 4575 C CE1 . TYR C 3 211 ? -21.418 -24.583 -42.174 1.00 69.27 ? 189 TYR F CE1 1 ATOM 4576 C CE2 . TYR C 3 211 ? -19.366 -24.954 -43.358 1.00 67.48 ? 189 TYR F CE2 1 ATOM 4577 C CZ . TYR C 3 211 ? -20.481 -24.172 -43.108 1.00 75.34 ? 189 TYR F CZ 1 ATOM 4578 O OH . TYR C 3 211 ? -20.658 -22.989 -43.783 1.00 77.00 ? 189 TYR F OH 1 ATOM 4579 N N . PRO C 3 212 ? -22.754 -29.371 -40.112 1.00 64.04 ? 190 PRO F N 1 ATOM 4580 C CA . PRO C 3 212 ? -24.200 -29.198 -39.885 1.00 64.56 ? 190 PRO F CA 1 ATOM 4581 C C . PRO C 3 212 ? -24.580 -27.717 -39.765 1.00 68.25 ? 190 PRO F C 1 ATOM 4582 O O . PRO C 3 212 ? -23.774 -26.946 -39.242 1.00 67.14 ? 190 PRO F O 1 ATOM 4583 C CB . PRO C 3 212 ? -24.452 -29.957 -38.578 1.00 66.36 ? 190 PRO F CB 1 ATOM 4584 C CG . PRO C 3 212 ? -23.147 -29.946 -37.873 1.00 69.92 ? 190 PRO F CG 1 ATOM 4585 C CD . PRO C 3 212 ? -22.091 -29.979 -38.937 1.00 65.15 ? 190 PRO F CD 1 ATOM 4586 N N . PRO C 3 213 ? -25.771 -27.282 -40.245 1.00 65.66 ? 191 PRO F N 1 ATOM 4587 C CA . PRO C 3 213 ? -26.131 -25.855 -40.119 1.00 65.93 ? 191 PRO F CA 1 ATOM 4588 C C . PRO C 3 213 ? -26.363 -25.426 -38.668 1.00 69.47 ? 191 PRO F C 1 ATOM 4589 O O . PRO C 3 213 ? -26.436 -26.288 -37.788 1.00 68.67 ? 191 PRO F O 1 ATOM 4590 C CB . PRO C 3 213 ? -27.401 -25.732 -40.965 1.00 69.12 ? 191 PRO F CB 1 ATOM 4591 C CG . PRO C 3 213 ? -27.991 -27.092 -40.966 1.00 73.79 ? 191 PRO F CG 1 ATOM 4592 C CD . PRO C 3 213 ? -26.844 -28.056 -40.904 1.00 68.19 ? 191 PRO F CD 1 ATOM 4593 N N . PHE C 3 214 ? -26.457 -24.100 -38.414 1.00 66.41 ? 192 PHE F N 1 ATOM 4594 C CA . PHE C 3 214 ? -26.686 -23.561 -37.069 1.00 66.39 ? 192 PHE F CA 1 ATOM 4595 C C . PHE C 3 214 ? -28.019 -24.064 -36.511 1.00 71.34 ? 192 PHE F C 1 ATOM 4596 O O . PHE C 3 214 ? -29.043 -23.992 -37.194 1.00 72.18 ? 192 PHE F O 1 ATOM 4597 C CB . PHE C 3 214 ? -26.630 -22.021 -37.054 1.00 68.95 ? 192 PHE F CB 1 ATOM 4598 C CG . PHE C 3 214 ? -26.440 -21.425 -35.676 1.00 70.44 ? 192 PHE F CG 1 ATOM 4599 C CD1 . PHE C 3 214 ? -25.173 -21.095 -35.213 1.00 72.49 ? 192 PHE F CD1 1 ATOM 4600 C CD2 . PHE C 3 214 ? -27.529 -21.191 -34.842 1.00 73.70 ? 192 PHE F CD2 1 ATOM 4601 C CE1 . PHE C 3 214 ? -24.997 -20.549 -33.938 1.00 73.47 ? 192 PHE F CE1 1 ATOM 4602 C CE2 . PHE C 3 214 ? -27.351 -20.648 -33.567 1.00 76.60 ? 192 PHE F CE2 1 ATOM 4603 C CZ . PHE C 3 214 ? -26.087 -20.327 -33.125 1.00 73.64 ? 192 PHE F CZ 1 ATOM 4604 N N . GLY C 3 215 ? -27.973 -24.592 -35.292 1.00 67.51 ? 193 GLY F N 1 ATOM 4605 C CA . GLY C 3 215 ? -29.136 -25.143 -34.607 1.00 68.27 ? 193 GLY F CA 1 ATOM 4606 C C . GLY C 3 215 ? -29.476 -26.561 -35.023 1.00 72.14 ? 193 GLY F C 1 ATOM 4607 O O . GLY C 3 215 ? -30.601 -27.015 -34.796 1.00 72.90 ? 193 GLY F O 1 ATOM 4608 N N . ALA C 3 216 ? -28.504 -27.275 -35.628 1.00 67.57 ? 194 ALA F N 1 ATOM 4609 C CA . ALA C 3 216 ? -28.665 -28.654 -36.099 1.00 67.50 ? 194 ALA F CA 1 ATOM 4610 C C . ALA C 3 216 ? -27.494 -29.579 -35.703 1.00 70.39 ? 194 ALA F C 1 ATOM 4611 O O . ALA C 3 216 ? -27.446 -30.732 -36.144 1.00 70.25 ? 194 ALA F O 1 ATOM 4612 C CB . ALA C 3 216 ? -28.873 -28.667 -37.607 1.00 68.59 ? 194 ALA F CB 1 ATOM 4613 N N . GLY C 3 217 ? -26.590 -29.071 -34.860 1.00 66.02 ? 195 GLY F N 1 ATOM 4614 C CA . GLY C 3 217 ? -25.425 -29.800 -34.368 1.00 65.06 ? 195 GLY F CA 1 ATOM 4615 C C . GLY C 3 217 ? -25.772 -30.965 -33.462 1.00 69.38 ? 195 GLY F C 1 ATOM 4616 O O . GLY C 3 217 ? -26.673 -30.858 -32.626 1.00 69.52 ? 195 GLY F O 1 ATOM 4617 N N . ARG C 3 218 ? -25.049 -32.086 -33.630 1.00 65.94 ? 196 ARG F N 1 ATOM 4618 C CA . ARG C 3 218 ? -25.253 -33.338 -32.893 1.00 66.67 ? 196 ARG F CA 1 ATOM 4619 C C . ARG C 3 218 ? -24.312 -33.504 -31.682 1.00 70.17 ? 196 ARG F C 1 ATOM 4620 O O . ARG C 3 218 ? -23.187 -32.998 -31.726 1.00 68.74 ? 196 ARG F O 1 ATOM 4621 C CB . ARG C 3 218 ? -25.110 -34.537 -33.843 1.00 67.79 ? 196 ARG F CB 1 ATOM 4622 C CG . ARG C 3 218 ? -26.248 -34.664 -34.848 1.00 78.76 ? 196 ARG F CG 1 ATOM 4623 C CD . ARG C 3 218 ? -26.170 -35.966 -35.620 1.00 89.31 ? 196 ARG F CD 1 ATOM 4624 N NE . ARG C 3 218 ? -26.593 -37.111 -34.812 1.00 98.63 ? 196 ARG F NE 1 ATOM 4625 C CZ . ARG C 3 218 ? -27.843 -37.557 -34.739 1.00 113.64 ? 196 ARG F CZ 1 ATOM 4626 N NH1 . ARG C 3 218 ? -28.811 -36.958 -35.423 1.00 100.64 ? 196 ARG F NH1 1 ATOM 4627 N NH2 . ARG C 3 218 ? -28.136 -38.605 -33.981 1.00 101.76 ? 196 ARG F NH2 1 ATOM 4628 N N . PRO C 3 219 ? -24.727 -34.237 -30.612 1.00 67.79 ? 197 PRO F N 1 ATOM 4629 C CA . PRO C 3 219 ? -23.835 -34.417 -29.449 1.00 67.68 ? 197 PRO F CA 1 ATOM 4630 C C . PRO C 3 219 ? -22.608 -35.276 -29.741 1.00 71.95 ? 197 PRO F C 1 ATOM 4631 O O . PRO C 3 219 ? -22.700 -36.257 -30.481 1.00 72.31 ? 197 PRO F O 1 ATOM 4632 C CB . PRO C 3 219 ? -24.743 -35.068 -28.394 1.00 70.72 ? 197 PRO F CB 1 ATOM 4633 C CG . PRO C 3 219 ? -26.142 -34.881 -28.895 1.00 75.51 ? 197 PRO F CG 1 ATOM 4634 C CD . PRO C 3 219 ? -26.025 -34.901 -30.380 1.00 70.61 ? 197 PRO F CD 1 ATOM 4635 N N . GLY C 3 220 ? -21.469 -34.872 -29.177 1.00 68.08 ? 198 GLY F N 1 ATOM 4636 C CA . GLY C 3 220 ? -20.187 -35.552 -29.342 1.00 68.33 ? 198 GLY F CA 1 ATOM 4637 C C . GLY C 3 220 ? -19.560 -35.409 -30.715 1.00 71.78 ? 198 GLY F C 1 ATOM 4638 O O . GLY C 3 220 ? -18.517 -36.013 -30.987 1.00 71.87 ? 198 GLY F O 1 ATOM 4639 N N . GLN C 3 221 ? -20.193 -34.607 -31.588 1.00 67.56 ? 199 GLN F N 1 ATOM 4640 C CA . GLN C 3 221 ? -19.762 -34.366 -32.963 1.00 66.87 ? 199 GLN F CA 1 ATOM 4641 C C . GLN C 3 221 ? -19.501 -32.881 -33.199 1.00 69.46 ? 199 GLN F C 1 ATOM 4642 O O . GLN C 3 221 ? -19.901 -32.049 -32.379 1.00 68.68 ? 199 GLN F O 1 ATOM 4643 C CB . GLN C 3 221 ? -20.828 -34.884 -33.952 1.00 68.84 ? 199 GLN F CB 1 ATOM 4644 C CG . GLN C 3 221 ? -21.068 -36.397 -33.914 1.00 86.57 ? 199 GLN F CG 1 ATOM 4645 C CD . GLN C 3 221 ? -19.931 -37.196 -34.506 1.00 107.80 ? 199 GLN F CD 1 ATOM 4646 O OE1 . GLN C 3 221 ? -19.142 -37.822 -33.790 1.00 104.67 ? 199 GLN F OE1 1 ATOM 4647 N NE2 . GLN C 3 221 ? -19.828 -37.201 -35.827 1.00 99.87 ? 199 GLN F NE2 1 ATOM 4648 N N . PHE C 3 222 ? -18.832 -32.553 -34.324 1.00 65.60 ? 200 PHE F N 1 ATOM 4649 C CA . PHE C 3 222 ? -18.519 -31.185 -34.735 1.00 64.50 ? 200 PHE F CA 1 ATOM 4650 C C . PHE C 3 222 ? -19.821 -30.375 -34.822 1.00 68.50 ? 200 PHE F C 1 ATOM 4651 O O . PHE C 3 222 ? -20.726 -30.731 -35.581 1.00 68.57 ? 200 PHE F O 1 ATOM 4652 C CB . PHE C 3 222 ? -17.774 -31.193 -36.086 1.00 66.15 ? 200 PHE F CB 1 ATOM 4653 C CG . PHE C 3 222 ? -17.319 -29.841 -36.582 1.00 66.97 ? 200 PHE F CG 1 ATOM 4654 C CD1 . PHE C 3 222 ? -16.028 -29.390 -36.335 1.00 69.71 ? 200 PHE F CD1 1 ATOM 4655 C CD2 . PHE C 3 222 ? -18.177 -29.025 -37.315 1.00 69.09 ? 200 PHE F CD2 1 ATOM 4656 C CE1 . PHE C 3 222 ? -15.604 -28.147 -36.809 1.00 70.17 ? 200 PHE F CE1 1 ATOM 4657 C CE2 . PHE C 3 222 ? -17.760 -27.772 -37.768 1.00 71.56 ? 200 PHE F CE2 1 ATOM 4658 C CZ . PHE C 3 222 ? -16.477 -27.342 -37.512 1.00 69.27 ? 200 PHE F CZ 1 ATOM 4659 N N . GLY C 3 223 ? -19.914 -29.334 -34.001 1.00 64.85 ? 201 GLY F N 1 ATOM 4660 C CA . GLY C 3 223 ? -21.085 -28.469 -33.939 1.00 64.96 ? 201 GLY F CA 1 ATOM 4661 C C . GLY C 3 223 ? -22.008 -28.718 -32.762 1.00 69.60 ? 201 GLY F C 1 ATOM 4662 O O . GLY C 3 223 ? -23.124 -28.191 -32.748 1.00 69.63 ? 201 GLY F O 1 ATOM 4663 N N . ASP C 3 224 ? -21.549 -29.499 -31.747 1.00 66.48 ? 202 ASP F N 1 ATOM 4664 C CA . ASP C 3 224 ? -22.320 -29.789 -30.525 1.00 67.00 ? 202 ASP F CA 1 ATOM 4665 C C . ASP C 3 224 ? -22.662 -28.484 -29.787 1.00 71.06 ? 202 ASP F C 1 ATOM 4666 O O . ASP C 3 224 ? -23.713 -28.378 -29.152 1.00 71.30 ? 202 ASP F O 1 ATOM 4667 C CB . ASP C 3 224 ? -21.591 -30.803 -29.617 1.00 69.12 ? 202 ASP F CB 1 ATOM 4668 C CG . ASP C 3 224 ? -20.208 -30.414 -29.116 1.00 78.01 ? 202 ASP F CG 1 ATOM 4669 O OD1 . ASP C 3 224 ? -19.718 -31.064 -28.169 1.00 78.91 ? 202 ASP F OD1 1 ATOM 4670 O OD2 . ASP C 3 224 ? -19.606 -29.475 -29.686 1.00 83.12 ? 202 ASP F OD2 1 ATOM 4671 N N . ILE C 3 225 ? -21.776 -27.484 -29.933 1.00 67.15 ? 203 ILE F N 1 ATOM 4672 C CA . ILE C 3 225 ? -21.915 -26.112 -29.454 1.00 67.07 ? 203 ILE F CA 1 ATOM 4673 C C . ILE C 3 225 ? -21.642 -25.189 -30.653 1.00 70.61 ? 203 ILE F C 1 ATOM 4674 O O . ILE C 3 225 ? -20.623 -25.347 -31.328 1.00 69.50 ? 203 ILE F O 1 ATOM 4675 C CB . ILE C 3 225 ? -21.086 -25.782 -28.172 1.00 70.04 ? 203 ILE F CB 1 ATOM 4676 C CG1 . ILE C 3 225 ? -21.275 -24.308 -27.731 1.00 70.83 ? 203 ILE F CG1 1 ATOM 4677 C CG2 . ILE C 3 225 ? -19.608 -26.148 -28.316 1.00 70.08 ? 203 ILE F CG2 1 ATOM 4678 C CD1 . ILE C 3 225 ? -21.330 -24.078 -26.226 1.00 79.35 ? 203 ILE F CD1 1 ATOM 4679 N N . GLN C 3 226 ? -22.588 -24.287 -30.960 1.00 67.88 ? 204 GLN F N 1 ATOM 4680 C CA . GLN C 3 226 ? -22.465 -23.376 -32.099 1.00 67.77 ? 204 GLN F CA 1 ATOM 4681 C C . GLN C 3 226 ? -22.669 -21.922 -31.701 1.00 72.64 ? 204 GLN F C 1 ATOM 4682 O O . GLN C 3 226 ? -23.659 -21.588 -31.047 1.00 73.10 ? 204 GLN F O 1 ATOM 4683 C CB . GLN C 3 226 ? -23.432 -23.768 -33.231 1.00 69.60 ? 204 GLN F CB 1 ATOM 4684 C CG . GLN C 3 226 ? -23.062 -25.059 -33.959 1.00 83.10 ? 204 GLN F CG 1 ATOM 4685 C CD . GLN C 3 226 ? -24.177 -25.599 -34.827 1.00 102.46 ? 204 GLN F CD 1 ATOM 4686 O OE1 . GLN C 3 226 ? -25.369 -25.418 -34.557 1.00 98.63 ? 204 GLN F OE1 1 ATOM 4687 N NE2 . GLN C 3 226 ? -23.811 -26.326 -35.869 1.00 94.65 ? 204 GLN F NE2 1 ATOM 4688 N N . SER C 3 227 ? -21.727 -21.062 -32.110 1.00 69.36 ? 205 SER F N 1 ATOM 4689 C CA . SER C 3 227 ? -21.745 -19.623 -31.864 1.00 70.30 ? 205 SER F CA 1 ATOM 4690 C C . SER C 3 227 ? -21.584 -18.906 -33.202 1.00 75.06 ? 205 SER F C 1 ATOM 4691 O O . SER C 3 227 ? -20.597 -19.144 -33.894 1.00 73.81 ? 205 SER F O 1 ATOM 4692 C CB . SER C 3 227 ? -20.610 -19.232 -30.924 1.00 73.46 ? 205 SER F CB 1 ATOM 4693 O OG . SER C 3 227 ? -20.715 -17.867 -30.561 1.00 83.66 ? 205 SER F OG 1 ATOM 4694 N N . ARG C 3 228 ? -22.552 -18.042 -33.570 1.00 73.49 ? 206 ARG F N 1 ATOM 4695 C CA . ARG C 3 228 ? -22.549 -17.290 -34.836 1.00 74.36 ? 206 ARG F CA 1 ATOM 4696 C C . ARG C 3 228 ? -21.268 -16.472 -35.060 1.00 78.33 ? 206 ARG F C 1 ATOM 4697 O O . ARG C 3 228 ? -20.749 -16.449 -36.178 1.00 77.83 ? 206 ARG F O 1 ATOM 4698 C CB . ARG C 3 228 ? -23.808 -16.413 -34.969 1.00 76.80 ? 206 ARG F CB 1 ATOM 4699 C CG . ARG C 3 228 ? -25.093 -17.203 -35.224 1.00 87.84 ? 206 ARG F CG 1 ATOM 4700 C CD . ARG C 3 228 ? -25.409 -17.351 -36.704 1.00 98.66 ? 206 ARG F CD 1 ATOM 4701 N NE . ARG C 3 228 ? -26.438 -18.364 -36.950 1.00 108.31 ? 206 ARG F NE 1 ATOM 4702 C CZ . ARG C 3 228 ? -27.747 -18.133 -36.925 1.00 125.49 ? 206 ARG F CZ 1 ATOM 4703 N NH1 . ARG C 3 228 ? -28.210 -16.915 -36.671 1.00 115.10 ? 206 ARG F NH1 1 ATOM 4704 N NH2 . ARG C 3 228 ? -28.604 -19.116 -37.166 1.00 113.07 ? 206 ARG F NH2 1 ATOM 4705 N N . THR C 3 229 ? -20.756 -15.830 -33.988 1.00 75.14 ? 207 THR F N 1 ATOM 4706 C CA . THR C 3 229 ? -19.520 -15.031 -33.955 1.00 75.04 ? 207 THR F CA 1 ATOM 4707 C C . THR C 3 229 ? -18.716 -15.400 -32.685 1.00 77.82 ? 207 THR F C 1 ATOM 4708 O O . THR C 3 229 ? -19.331 -15.872 -31.727 1.00 77.21 ? 207 THR F O 1 ATOM 4709 C CB . THR C 3 229 ? -19.830 -13.518 -33.992 1.00 86.05 ? 207 THR F CB 1 ATOM 4710 O OG1 . THR C 3 229 ? -20.766 -13.187 -32.967 1.00 86.98 ? 207 THR F OG1 1 ATOM 4711 C CG2 . THR C 3 229 ? -20.327 -13.044 -35.354 1.00 86.30 ? 207 THR F CG2 1 ATOM 4712 N N . PRO C 3 230 ? -17.372 -15.196 -32.614 1.00 73.91 ? 208 PRO F N 1 ATOM 4713 C CA . PRO C 3 230 ? -16.648 -15.566 -31.379 1.00 72.88 ? 208 PRO F CA 1 ATOM 4714 C C . PRO C 3 230 ? -16.953 -14.696 -30.153 1.00 77.58 ? 208 PRO F C 1 ATOM 4715 O O . PRO C 3 230 ? -16.644 -15.101 -29.030 1.00 76.48 ? 208 PRO F O 1 ATOM 4716 C CB . PRO C 3 230 ? -15.176 -15.489 -31.790 1.00 74.09 ? 208 PRO F CB 1 ATOM 4717 C CG . PRO C 3 230 ? -15.147 -14.516 -32.906 1.00 79.63 ? 208 PRO F CG 1 ATOM 4718 C CD . PRO C 3 230 ? -16.448 -14.664 -33.640 1.00 75.72 ? 208 PRO F CD 1 ATOM 4719 N N . GLU C 3 231 ? -17.565 -13.514 -30.368 1.00 75.79 ? 209 GLU F N 1 ATOM 4720 C CA . GLU C 3 231 ? -17.932 -12.560 -29.316 1.00 76.94 ? 209 GLU F CA 1 ATOM 4721 C C . GLU C 3 231 ? -19.396 -12.708 -28.864 1.00 80.97 ? 209 GLU F C 1 ATOM 4722 O O . GLU C 3 231 ? -19.790 -12.086 -27.873 1.00 81.75 ? 209 GLU F O 1 ATOM 4723 C CB . GLU C 3 231 ? -17.661 -11.113 -29.776 1.00 80.22 ? 209 GLU F CB 1 ATOM 4724 C CG . GLU C 3 231 ? -16.190 -10.724 -29.826 1.00 90.78 ? 209 GLU F CG 1 ATOM 4725 C CD . GLU C 3 231 ? -15.440 -11.138 -31.078 1.00 110.75 ? 209 GLU F CD 1 ATOM 4726 O OE1 . GLU C 3 231 ? -15.881 -10.769 -32.191 1.00 106.68 ? 209 GLU F OE1 1 ATOM 4727 O OE2 . GLU C 3 231 ? -14.393 -11.811 -30.944 1.00 103.47 ? 209 GLU F OE2 1 ATOM 4728 N N . SER C 3 232 ? -20.192 -13.528 -29.591 1.00 76.54 ? 210 SER F N 1 ATOM 4729 C CA . SER C 3 232 ? -21.617 -13.788 -29.348 1.00 76.94 ? 210 SER F CA 1 ATOM 4730 C C . SER C 3 232 ? -21.931 -14.232 -27.918 1.00 80.05 ? 210 SER F C 1 ATOM 4731 O O . SER C 3 232 ? -21.234 -15.084 -27.364 1.00 78.11 ? 210 SER F O 1 ATOM 4732 C CB . SER C 3 232 ? -22.154 -14.805 -30.352 1.00 79.61 ? 210 SER F CB 1 ATOM 4733 O OG . SER C 3 232 ? -23.530 -15.090 -30.162 1.00 89.39 ? 210 SER F OG 1 ATOM 4734 N N . LYS C 3 233 ? -22.980 -13.635 -27.328 1.00 77.89 ? 211 LYS F N 1 ATOM 4735 C CA . LYS C 3 233 ? -23.444 -13.934 -25.972 1.00 77.70 ? 211 LYS F CA 1 ATOM 4736 C C . LYS C 3 233 ? -24.318 -15.191 -25.965 1.00 80.30 ? 211 LYS F C 1 ATOM 4737 O O . LYS C 3 233 ? -24.182 -16.022 -25.066 1.00 79.06 ? 211 LYS F O 1 ATOM 4738 C CB . LYS C 3 233 ? -24.211 -12.737 -25.373 1.00 82.68 ? 211 LYS F CB 1 ATOM 4739 C CG . LYS C 3 233 ? -23.360 -11.489 -25.128 1.00 98.06 ? 211 LYS F CG 1 ATOM 4740 C CD . LYS C 3 233 ? -22.670 -11.501 -23.763 1.00 107.81 ? 211 LYS F CD 1 ATOM 4741 C CE . LYS C 3 233 ? -21.810 -10.279 -23.536 1.00 119.88 ? 211 LYS F CE 1 ATOM 4742 N NZ . LYS C 3 233 ? -22.621 -9.068 -23.235 1.00 131.78 ? 211 LYS F NZ 1 ATOM 4743 N N . ASP C 3 234 ? -25.205 -15.328 -26.973 1.00 76.87 ? 212 ASP F N 1 ATOM 4744 C CA . ASP C 3 234 ? -26.115 -16.466 -27.133 1.00 76.07 ? 212 ASP F CA 1 ATOM 4745 C C . ASP C 3 234 ? -25.446 -17.564 -27.963 1.00 76.98 ? 212 ASP F C 1 ATOM 4746 O O . ASP C 3 234 ? -24.834 -17.267 -28.991 1.00 76.19 ? 212 ASP F O 1 ATOM 4747 C CB . ASP C 3 234 ? -27.430 -16.026 -27.806 1.00 79.87 ? 212 ASP F CB 1 ATOM 4748 C CG . ASP C 3 234 ? -28.024 -14.740 -27.262 1.00 92.84 ? 212 ASP F CG 1 ATOM 4749 O OD1 . ASP C 3 234 ? -27.463 -13.659 -27.548 1.00 94.20 ? 212 ASP F OD1 1 ATOM 4750 O OD2 . ASP C 3 234 ? -29.066 -14.812 -26.576 1.00 100.21 ? 212 ASP F OD2 1 ATOM 4751 N N . VAL C 3 235 ? -25.550 -18.828 -27.506 1.00 71.64 ? 213 VAL F N 1 ATOM 4752 C CA . VAL C 3 235 ? -24.972 -20.004 -28.177 1.00 69.46 ? 213 VAL F CA 1 ATOM 4753 C C . VAL C 3 235 ? -25.973 -21.159 -28.269 1.00 72.24 ? 213 VAL F C 1 ATOM 4754 O O . VAL C 3 235 ? -26.830 -21.300 -27.393 1.00 72.63 ? 213 VAL F O 1 ATOM 4755 C CB . VAL C 3 235 ? -23.623 -20.487 -27.558 1.00 72.05 ? 213 VAL F CB 1 ATOM 4756 C CG1 . VAL C 3 235 ? -22.496 -19.492 -27.807 1.00 71.60 ? 213 VAL F CG1 1 ATOM 4757 C CG2 . VAL C 3 235 ? -23.752 -20.809 -26.068 1.00 72.10 ? 213 VAL F CG2 1 ATOM 4758 N N . TYR C 3 236 ? -25.846 -21.995 -29.316 1.00 67.22 ? 214 TYR F N 1 ATOM 4759 C CA . TYR C 3 236 ? -26.671 -23.190 -29.482 1.00 66.83 ? 214 TYR F CA 1 ATOM 4760 C C . TYR C 3 236 ? -25.917 -24.355 -28.840 1.00 68.91 ? 214 TYR F C 1 ATOM 4761 O O . TYR C 3 236 ? -24.703 -24.457 -29.016 1.00 67.41 ? 214 TYR F O 1 ATOM 4762 C CB . TYR C 3 236 ? -26.963 -23.477 -30.972 1.00 67.95 ? 214 TYR F CB 1 ATOM 4763 C CG . TYR C 3 236 ? -27.504 -24.870 -31.234 1.00 69.64 ? 214 TYR F CG 1 ATOM 4764 C CD1 . TYR C 3 236 ? -28.836 -25.183 -30.977 1.00 72.87 ? 214 TYR F CD1 1 ATOM 4765 C CD2 . TYR C 3 236 ? -26.674 -25.885 -31.703 1.00 69.36 ? 214 TYR F CD2 1 ATOM 4766 C CE1 . TYR C 3 236 ? -29.332 -26.469 -31.195 1.00 73.90 ? 214 TYR F CE1 1 ATOM 4767 C CE2 . TYR C 3 236 ? -27.159 -27.172 -31.928 1.00 70.54 ? 214 TYR F CE2 1 ATOM 4768 C CZ . TYR C 3 236 ? -28.491 -27.459 -31.677 1.00 79.11 ? 214 TYR F CZ 1 ATOM 4769 O OH . TYR C 3 236 ? -28.974 -28.725 -31.902 1.00 80.36 ? 214 TYR F OH 1 ATOM 4770 N N . ALA C 3 237 ? -26.628 -25.232 -28.107 1.00 65.39 ? 215 ALA F N 1 ATOM 4771 C CA . ALA C 3 237 ? -26.012 -26.388 -27.455 1.00 64.33 ? 215 ALA F CA 1 ATOM 4772 C C . ALA C 3 237 ? -26.889 -27.636 -27.476 1.00 68.05 ? 215 ALA F C 1 ATOM 4773 O O . ALA C 3 237 ? -28.084 -27.569 -27.177 1.00 68.71 ? 215 ALA F O 1 ATOM 4774 C CB . ALA C 3 237 ? -25.615 -26.045 -26.027 1.00 65.14 ? 215 ALA F CB 1 ATOM 4775 N N . ASN C 3 238 ? -26.275 -28.776 -27.834 1.00 63.47 ? 216 ASN F N 1 ATOM 4776 C CA . ASN C 3 238 ? -26.887 -30.105 -27.889 1.00 63.72 ? 216 ASN F CA 1 ATOM 4777 C C . ASN C 3 238 ? -25.786 -31.113 -27.520 1.00 66.51 ? 216 ASN F C 1 ATOM 4778 O O . ASN C 3 238 ? -25.072 -31.597 -28.399 1.00 65.52 ? 216 ASN F O 1 ATOM 4779 C CB . ASN C 3 238 ? -27.484 -30.373 -29.287 1.00 64.30 ? 216 ASN F CB 1 ATOM 4780 C CG . ASN C 3 238 ? -28.246 -31.674 -29.424 1.00 87.23 ? 216 ASN F CG 1 ATOM 4781 O OD1 . ASN C 3 238 ? -28.752 -32.251 -28.454 1.00 82.27 ? 216 ASN F OD1 1 ATOM 4782 N ND2 . ASN C 3 238 ? -28.375 -32.149 -30.653 1.00 79.48 ? 216 ASN F ND2 1 ATOM 4783 N N . THR C 3 239 ? -25.616 -31.372 -26.203 1.00 71.98 ? 217 THR F N 1 ATOM 4784 C CA . THR C 3 239 ? -24.559 -32.235 -25.647 1.00 69.97 ? 217 THR F CA 1 ATOM 4785 C C . THR C 3 239 ? -25.050 -33.507 -24.926 1.00 72.37 ? 217 THR F C 1 ATOM 4786 O O . THR C 3 239 ? -24.220 -34.266 -24.412 1.00 70.80 ? 217 THR F O 1 ATOM 4787 C CB . THR C 3 239 ? -23.636 -31.410 -24.722 1.00 75.53 ? 217 THR F CB 1 ATOM 4788 O OG1 . THR C 3 239 ? -24.392 -30.926 -23.611 1.00 73.32 ? 217 THR F OG1 1 ATOM 4789 C CG2 . THR C 3 239 ? -22.944 -30.254 -25.441 1.00 74.98 ? 217 THR F CG2 1 ATOM 4790 N N . GLN C 3 240 ? -26.385 -33.739 -24.894 1.00 69.22 ? 218 GLN F N 1 ATOM 4791 C CA . GLN C 3 240 ? -27.039 -34.877 -24.227 1.00 68.43 ? 218 GLN F CA 1 ATOM 4792 C C . GLN C 3 240 ? -26.749 -34.918 -22.714 1.00 69.02 ? 218 GLN F C 1 ATOM 4793 O O . GLN C 3 240 ? -26.462 -35.981 -22.153 1.00 68.17 ? 218 GLN F O 1 ATOM 4794 C CB . GLN C 3 240 ? -26.731 -36.219 -24.925 1.00 71.78 ? 218 GLN F CB 1 ATOM 4795 C CG . GLN C 3 240 ? -27.785 -36.641 -25.936 1.00 91.17 ? 218 GLN F CG 1 ATOM 4796 C CD . GLN C 3 240 ? -27.550 -38.051 -26.411 1.00 113.32 ? 218 GLN F CD 1 ATOM 4797 O OE1 . GLN C 3 240 ? -26.717 -38.310 -27.287 1.00 110.71 ? 218 GLN F OE1 1 ATOM 4798 N NE2 . GLN C 3 240 ? -28.276 -38.996 -25.836 1.00 105.85 ? 218 GLN F NE2 1 ATOM 4799 N N . LEU C 3 241 ? -26.826 -33.739 -22.064 1.00 63.68 ? 219 LEU F N 1 ATOM 4800 C CA . LEU C 3 241 ? -26.593 -33.569 -20.630 1.00 60.96 ? 219 LEU F CA 1 ATOM 4801 C C . LEU C 3 241 ? -27.752 -34.180 -19.837 1.00 64.23 ? 219 LEU F C 1 ATOM 4802 O O . LEU C 3 241 ? -28.900 -33.749 -19.981 1.00 64.43 ? 219 LEU F O 1 ATOM 4803 C CB . LEU C 3 241 ? -26.445 -32.069 -20.289 1.00 60.04 ? 219 LEU F CB 1 ATOM 4804 C CG . LEU C 3 241 ? -25.737 -31.670 -18.974 1.00 62.61 ? 219 LEU F CG 1 ATOM 4805 C CD1 . LEU C 3 241 ? -25.439 -30.196 -18.967 1.00 62.52 ? 219 LEU F CD1 1 ATOM 4806 C CD2 . LEU C 3 241 ? -26.557 -31.990 -17.729 1.00 64.08 ? 219 LEU F CD2 1 ATOM 4807 N N . VAL C 3 242 ? -27.442 -35.189 -19.002 1.00 59.81 ? 220 VAL F N 1 ATOM 4808 C CA . VAL C 3 242 ? -28.405 -35.882 -18.137 1.00 59.21 ? 220 VAL F CA 1 ATOM 4809 C C . VAL C 3 242 ? -27.802 -35.961 -16.727 1.00 60.91 ? 220 VAL F C 1 ATOM 4810 O O . VAL C 3 242 ? -26.705 -36.501 -16.556 1.00 60.30 ? 220 VAL F O 1 ATOM 4811 C CB . VAL C 3 242 ? -28.828 -37.283 -18.679 1.00 64.97 ? 220 VAL F CB 1 ATOM 4812 C CG1 . VAL C 3 242 ? -29.828 -37.965 -17.745 1.00 64.60 ? 220 VAL F CG1 1 ATOM 4813 C CG2 . VAL C 3 242 ? -29.399 -37.195 -20.094 1.00 66.95 ? 220 VAL F CG2 1 ATOM 4814 N N . LEU C 3 243 ? -28.512 -35.411 -15.729 1.00 56.08 ? 221 LEU F N 1 ATOM 4815 C CA . LEU C 3 243 ? -28.059 -35.417 -14.337 1.00 54.43 ? 221 LEU F CA 1 ATOM 4816 C C . LEU C 3 243 ? -28.389 -36.739 -13.647 1.00 58.41 ? 221 LEU F C 1 ATOM 4817 O O . LEU C 3 243 ? -29.477 -37.285 -13.845 1.00 58.88 ? 221 LEU F O 1 ATOM 4818 C CB . LEU C 3 243 ? -28.627 -34.219 -13.554 1.00 53.49 ? 221 LEU F CB 1 ATOM 4819 C CG . LEU C 3 243 ? -28.179 -32.825 -14.015 1.00 57.88 ? 221 LEU F CG 1 ATOM 4820 C CD1 . LEU C 3 243 ? -29.064 -31.755 -13.433 1.00 57.71 ? 221 LEU F CD1 1 ATOM 4821 C CD2 . LEU C 3 243 ? -26.725 -32.552 -13.655 1.00 59.65 ? 221 LEU F CD2 1 ATOM 4822 N N . GLN C 3 244 ? -27.436 -37.259 -12.853 1.00 54.34 ? 222 GLN F N 1 ATOM 4823 C CA . GLN C 3 244 ? -27.564 -38.533 -12.138 1.00 54.79 ? 222 GLN F CA 1 ATOM 4824 C C . GLN C 3 244 ? -27.776 -38.339 -10.635 1.00 57.53 ? 222 GLN F C 1 ATOM 4825 O O . GLN C 3 244 ? -27.430 -37.285 -10.093 1.00 56.06 ? 222 GLN F O 1 ATOM 4826 C CB . GLN C 3 244 ? -26.331 -39.419 -12.391 1.00 57.00 ? 222 GLN F CB 1 ATOM 4827 C CG . GLN C 3 244 ? -26.159 -39.847 -13.850 1.00 74.65 ? 222 GLN F CG 1 ATOM 4828 C CD . GLN C 3 244 ? -24.858 -40.568 -14.131 1.00 96.07 ? 222 GLN F CD 1 ATOM 4829 O OE1 . GLN C 3 244 ? -23.860 -40.445 -13.408 1.00 90.88 ? 222 GLN F OE1 1 ATOM 4830 N NE2 . GLN C 3 244 ? -24.830 -41.312 -15.225 1.00 90.95 ? 222 GLN F NE2 1 ATOM 4831 N N . ARG C 3 245 ? -28.339 -39.367 -9.965 1.00 54.51 ? 223 ARG F N 1 ATOM 4832 C CA . ARG C 3 245 ? -28.591 -39.361 -8.524 1.00 53.86 ? 223 ARG F CA 1 ATOM 4833 C C . ARG C 3 245 ? -27.264 -39.403 -7.745 1.00 57.34 ? 223 ARG F C 1 ATOM 4834 O O . ARG C 3 245 ? -26.425 -40.261 -8.037 1.00 57.82 ? 223 ARG F O 1 ATOM 4835 C CB . ARG C 3 245 ? -29.518 -40.527 -8.122 1.00 55.09 ? 223 ARG F CB 1 ATOM 4836 C CG . ARG C 3 245 ? -29.909 -40.525 -6.646 1.00 64.58 ? 223 ARG F CG 1 ATOM 4837 C CD . ARG C 3 245 ? -30.880 -41.630 -6.286 1.00 74.63 ? 223 ARG F CD 1 ATOM 4838 N NE . ARG C 3 245 ? -31.079 -41.719 -4.837 1.00 81.76 ? 223 ARG F NE 1 ATOM 4839 C CZ . ARG C 3 245 ? -31.992 -41.033 -4.155 1.00 93.76 ? 223 ARG F CZ 1 ATOM 4840 N NH1 . ARG C 3 245 ? -32.808 -40.193 -4.781 1.00 80.36 ? 223 ARG F NH1 1 ATOM 4841 N NH2 . ARG C 3 245 ? -32.094 -41.179 -2.841 1.00 79.79 ? 223 ARG F NH2 1 ATOM 4842 N N . PRO C 3 246 ? -27.051 -38.489 -6.764 1.00 52.84 ? 224 PRO F N 1 ATOM 4843 C CA . PRO C 3 246 ? -25.790 -38.512 -6.003 1.00 52.83 ? 224 PRO F CA 1 ATOM 4844 C C . PRO C 3 246 ? -25.630 -39.747 -5.118 1.00 58.10 ? 224 PRO F C 1 ATOM 4845 O O . PRO C 3 246 ? -26.625 -40.360 -4.722 1.00 58.46 ? 224 PRO F O 1 ATOM 4846 C CB . PRO C 3 246 ? -25.855 -37.229 -5.170 1.00 53.74 ? 224 PRO F CB 1 ATOM 4847 C CG . PRO C 3 246 ? -27.304 -36.953 -5.017 1.00 57.98 ? 224 PRO F CG 1 ATOM 4848 C CD . PRO C 3 246 ? -27.932 -37.395 -6.303 1.00 53.50 ? 224 PRO F CD 1 ATOM 4849 N N . ALA C 3 247 ? -24.369 -40.104 -4.813 1.00 55.08 ? 225 ALA F N 1 ATOM 4850 C CA . ALA C 3 247 ? -23.998 -41.238 -3.966 1.00 56.68 ? 225 ALA F CA 1 ATOM 4851 C C . ALA C 3 247 ? -24.485 -41.029 -2.530 1.00 60.81 ? 225 ALA F C 1 ATOM 4852 O O . ALA C 3 247 ? -24.619 -39.884 -2.090 1.00 59.25 ? 225 ALA F O 1 ATOM 4853 C CB . ALA C 3 247 ? -22.489 -41.426 -3.984 1.00 58.07 ? 225 ALA F CB 1 ATOM 4854 N N . ALA C 3 248 ? -24.766 -42.137 -1.814 1.00 59.27 ? 226 ALA F N 1 ATOM 4855 C CA . ALA C 3 248 ? -25.258 -42.140 -0.433 1.00 60.12 ? 226 ALA F CA 1 ATOM 4856 C C . ALA C 3 248 ? -24.351 -41.348 0.513 1.00 63.98 ? 226 ALA F C 1 ATOM 4857 O O . ALA C 3 248 ? -23.150 -41.621 0.599 1.00 64.38 ? 226 ALA F O 1 ATOM 4858 C CB . ALA C 3 248 ? -25.431 -43.568 0.062 1.00 63.46 ? 226 ALA F CB 1 ATOM 4859 N N . GLY C 3 249 ? -24.937 -40.337 1.154 1.00 59.75 ? 227 GLY F N 1 ATOM 4860 C CA . GLY C 3 249 ? -24.262 -39.443 2.090 1.00 59.91 ? 227 GLY F CA 1 ATOM 4861 C C . GLY C 3 249 ? -23.156 -38.598 1.489 1.00 62.34 ? 227 GLY F C 1 ATOM 4862 O O . GLY C 3 249 ? -22.246 -38.175 2.208 1.00 62.73 ? 227 GLY F O 1 ATOM 4863 N N . THR C 3 250 ? -23.231 -38.340 0.168 1.00 57.02 ? 228 THR F N 1 ATOM 4864 C CA . THR C 3 250 ? -22.225 -37.589 -0.582 1.00 55.64 ? 228 THR F CA 1 ATOM 4865 C C . THR C 3 250 ? -22.816 -36.357 -1.272 1.00 57.52 ? 228 THR F C 1 ATOM 4866 O O . THR C 3 250 ? -23.802 -36.474 -2.004 1.00 56.16 ? 228 THR F O 1 ATOM 4867 C CB . THR C 3 250 ? -21.512 -38.538 -1.570 1.00 63.63 ? 228 THR F CB 1 ATOM 4868 O OG1 . THR C 3 250 ? -20.916 -39.615 -0.843 1.00 65.71 ? 228 THR F OG1 1 ATOM 4869 C CG2 . THR C 3 250 ? -20.456 -37.841 -2.409 1.00 60.94 ? 228 THR F CG2 1 ATOM 4870 N N . VAL C 3 251 ? -22.188 -35.184 -1.056 1.00 53.74 ? 229 VAL F N 1 ATOM 4871 C CA . VAL C 3 251 ? -22.600 -33.932 -1.694 1.00 52.11 ? 229 VAL F CA 1 ATOM 4872 C C . VAL C 3 251 ? -21.745 -33.732 -2.947 1.00 54.89 ? 229 VAL F C 1 ATOM 4873 O O . VAL C 3 251 ? -20.562 -33.393 -2.845 1.00 54.76 ? 229 VAL F O 1 ATOM 4874 C CB . VAL C 3 251 ? -22.563 -32.680 -0.769 1.00 56.50 ? 229 VAL F CB 1 ATOM 4875 C CG1 . VAL C 3 251 ? -23.279 -31.501 -1.425 1.00 55.17 ? 229 VAL F CG1 1 ATOM 4876 C CG2 . VAL C 3 251 ? -23.158 -32.969 0.604 1.00 57.74 ? 229 VAL F CG2 1 ATOM 4877 N N . HIS C 3 252 ? -22.347 -33.979 -4.121 1.00 50.42 ? 230 HIS F N 1 ATOM 4878 C CA . HIS C 3 252 ? -21.746 -33.829 -5.450 1.00 49.43 ? 230 HIS F CA 1 ATOM 4879 C C . HIS C 3 252 ? -22.839 -33.850 -6.522 1.00 52.44 ? 230 HIS F C 1 ATOM 4880 O O . HIS C 3 252 ? -23.982 -34.205 -6.221 1.00 51.97 ? 230 HIS F O 1 ATOM 4881 C CB . HIS C 3 252 ? -20.638 -34.882 -5.713 1.00 50.88 ? 230 HIS F CB 1 ATOM 4882 C CG . HIS C 3 252 ? -21.119 -36.250 -6.093 1.00 54.87 ? 230 HIS F CG 1 ATOM 4883 N ND1 . HIS C 3 252 ? -22.036 -36.938 -5.320 1.00 57.30 ? 230 HIS F ND1 1 ATOM 4884 C CD2 . HIS C 3 252 ? -20.746 -37.036 -7.130 1.00 56.94 ? 230 HIS F CD2 1 ATOM 4885 C CE1 . HIS C 3 252 ? -22.207 -38.103 -5.920 1.00 57.44 ? 230 HIS F CE1 1 ATOM 4886 N NE2 . HIS C 3 252 ? -21.454 -38.207 -7.014 1.00 57.64 ? 230 HIS F NE2 1 ATOM 4887 N N . VAL C 3 253 ? -22.502 -33.432 -7.756 1.00 48.55 ? 231 VAL F N 1 ATOM 4888 C CA . VAL C 3 253 ? -23.456 -33.403 -8.866 1.00 48.10 ? 231 VAL F CA 1 ATOM 4889 C C . VAL C 3 253 ? -22.991 -34.356 -9.998 1.00 52.34 ? 231 VAL F C 1 ATOM 4890 O O . VAL C 3 253 ? -22.339 -33.908 -10.949 1.00 51.87 ? 231 VAL F O 1 ATOM 4891 C CB . VAL C 3 253 ? -23.797 -31.965 -9.369 1.00 51.52 ? 231 VAL F CB 1 ATOM 4892 C CG1 . VAL C 3 253 ? -24.989 -31.984 -10.322 1.00 51.48 ? 231 VAL F CG1 1 ATOM 4893 C CG2 . VAL C 3 253 ? -24.061 -31.000 -8.212 1.00 51.20 ? 231 VAL F CG2 1 ATOM 4894 N N . PRO C 3 254 ? -23.292 -35.676 -9.904 1.00 49.49 ? 232 PRO F N 1 ATOM 4895 C CA . PRO C 3 254 ? -22.884 -36.591 -10.986 1.00 50.07 ? 232 PRO F CA 1 ATOM 4896 C C . PRO C 3 254 ? -23.753 -36.410 -12.233 1.00 54.02 ? 232 PRO F C 1 ATOM 4897 O O . PRO C 3 254 ? -24.943 -36.108 -12.114 1.00 53.41 ? 232 PRO F O 1 ATOM 4898 C CB . PRO C 3 254 ? -23.030 -37.978 -10.358 1.00 52.88 ? 232 PRO F CB 1 ATOM 4899 C CG . PRO C 3 254 ? -24.059 -37.817 -9.309 1.00 57.07 ? 232 PRO F CG 1 ATOM 4900 C CD . PRO C 3 254 ? -24.047 -36.385 -8.848 1.00 51.45 ? 232 PRO F CD 1 ATOM 4901 N N . TYR C 3 255 ? -23.150 -36.559 -13.428 1.00 51.14 ? 233 TYR F N 1 ATOM 4902 C CA . TYR C 3 255 ? -23.844 -36.373 -14.707 1.00 51.60 ? 233 TYR F CA 1 ATOM 4903 C C . TYR C 3 255 ? -23.252 -37.199 -15.851 1.00 57.05 ? 233 TYR F C 1 ATOM 4904 O O . TYR C 3 255 ? -22.073 -37.560 -15.814 1.00 56.77 ? 233 TYR F O 1 ATOM 4905 C CB . TYR C 3 255 ? -23.878 -34.873 -15.093 1.00 52.01 ? 233 TYR F CB 1 ATOM 4906 C CG . TYR C 3 255 ? -22.518 -34.269 -15.385 1.00 53.38 ? 233 TYR F CG 1 ATOM 4907 C CD1 . TYR C 3 255 ? -22.057 -34.135 -16.692 1.00 56.24 ? 233 TYR F CD1 1 ATOM 4908 C CD2 . TYR C 3 255 ? -21.702 -33.806 -14.355 1.00 53.17 ? 233 TYR F CD2 1 ATOM 4909 C CE1 . TYR C 3 255 ? -20.805 -33.586 -16.966 1.00 56.78 ? 233 TYR F CE1 1 ATOM 4910 C CE2 . TYR C 3 255 ? -20.445 -33.264 -14.616 1.00 53.96 ? 233 TYR F CE2 1 ATOM 4911 C CZ . TYR C 3 255 ? -20.004 -33.146 -15.924 1.00 61.87 ? 233 TYR F CZ 1 ATOM 4912 O OH . TYR C 3 255 ? -18.771 -32.599 -16.187 1.00 62.42 ? 233 TYR F OH 1 ATOM 4913 N N . SER C 3 256 ? -24.075 -37.463 -16.881 1.00 55.00 ? 234 SER F N 1 ATOM 4914 C CA . SER C 3 256 ? -23.685 -38.160 -18.106 1.00 56.64 ? 234 SER F CA 1 ATOM 4915 C C . SER C 3 256 ? -23.825 -37.163 -19.256 1.00 60.91 ? 234 SER F C 1 ATOM 4916 O O . SER C 3 256 ? -24.862 -36.505 -19.381 1.00 60.45 ? 234 SER F O 1 ATOM 4917 C CB . SER C 3 256 ? -24.548 -39.397 -18.339 1.00 61.84 ? 234 SER F CB 1 ATOM 4918 O OG . SER C 3 256 ? -25.922 -39.070 -18.467 1.00 70.68 ? 234 SER F OG 1 ATOM 4919 N N . GLN C 3 257 ? -22.763 -37.008 -20.054 1.00 57.93 ? 235 GLN F N 1 ATOM 4920 C CA . GLN C 3 257 ? -22.725 -36.054 -21.160 1.00 58.41 ? 235 GLN F CA 1 ATOM 4921 C C . GLN C 3 257 ? -21.790 -36.553 -22.256 1.00 63.92 ? 235 GLN F C 1 ATOM 4922 O O . GLN C 3 257 ? -20.756 -37.154 -21.952 1.00 63.33 ? 235 GLN F O 1 ATOM 4923 C CB . GLN C 3 257 ? -22.243 -34.691 -20.632 1.00 58.04 ? 235 GLN F CB 1 ATOM 4924 C CG . GLN C 3 257 ? -22.538 -33.499 -21.537 1.00 72.73 ? 235 GLN F CG 1 ATOM 4925 C CD . GLN C 3 257 ? -22.003 -32.201 -20.974 1.00 89.20 ? 235 GLN F CD 1 ATOM 4926 O OE1 . GLN C 3 257 ? -21.017 -32.159 -20.226 1.00 83.43 ? 235 GLN F OE1 1 ATOM 4927 N NE2 . GLN C 3 257 ? -22.622 -31.100 -21.358 1.00 81.25 ? 235 GLN F NE2 1 ATOM 4928 N N . ALA C 3 258 ? -22.150 -36.295 -23.528 1.00 62.34 ? 236 ALA F N 1 ATOM 4929 C CA . ALA C 3 258 ? -21.335 -36.675 -24.683 1.00 64.24 ? 236 ALA F CA 1 ATOM 4930 C C . ALA C 3 258 ? -20.067 -35.802 -24.705 1.00 67.08 ? 236 ALA F C 1 ATOM 4931 O O . ALA C 3 258 ? -20.189 -34.578 -24.584 1.00 65.70 ? 236 ALA F O 1 ATOM 4932 C CB . ALA C 3 258 ? -22.128 -36.497 -25.969 1.00 67.51 ? 236 ALA F CB 1 ATOM 4933 N N . PRO C 3 259 ? -18.849 -36.401 -24.800 1.00 63.89 ? 237 PRO F N 1 ATOM 4934 C CA . PRO C 3 259 ? -17.616 -35.586 -24.779 1.00 62.82 ? 237 PRO F CA 1 ATOM 4935 C C . PRO C 3 259 ? -17.527 -34.558 -25.903 1.00 67.84 ? 237 PRO F C 1 ATOM 4936 O O . PRO C 3 259 ? -18.118 -34.765 -26.962 1.00 69.64 ? 237 PRO F O 1 ATOM 4937 C CB . PRO C 3 259 ? -16.496 -36.628 -24.877 1.00 65.46 ? 237 PRO F CB 1 ATOM 4938 C CG . PRO C 3 259 ? -17.116 -37.908 -24.440 1.00 70.43 ? 237 PRO F CG 1 ATOM 4939 C CD . PRO C 3 259 ? -18.530 -37.838 -24.919 1.00 66.86 ? 237 PRO F CD 1 ATOM 4940 N N . SER C 3 260 ? -16.800 -33.445 -25.657 1.00 56.74 ? 238 SER F N 1 ATOM 4941 C CA . SER C 3 260 ? -16.607 -32.327 -26.588 1.00 55.05 ? 238 SER F CA 1 ATOM 4942 C C . SER C 3 260 ? -16.395 -32.754 -28.041 1.00 58.70 ? 238 SER F C 1 ATOM 4943 O O . SER C 3 260 ? -15.470 -33.514 -28.341 1.00 58.96 ? 238 SER F O 1 ATOM 4944 C CB . SER C 3 260 ? -15.483 -31.409 -26.112 1.00 57.92 ? 238 SER F CB 1 ATOM 4945 O OG . SER C 3 260 ? -15.267 -30.323 -27.000 1.00 64.96 ? 238 SER F OG 1 ATOM 4946 N N . GLY C 3 261 ? -17.293 -32.289 -28.907 1.00 54.54 ? 239 GLY F N 1 ATOM 4947 C CA . GLY C 3 261 ? -17.266 -32.561 -30.339 1.00 54.14 ? 239 GLY F CA 1 ATOM 4948 C C . GLY C 3 261 ? -16.073 -31.928 -31.024 1.00 57.26 ? 239 GLY F C 1 ATOM 4949 O O . GLY C 3 261 ? -15.513 -32.519 -31.950 1.00 57.21 ? 239 GLY F O 1 ATOM 4950 N N . PHE C 3 262 ? -15.670 -30.720 -30.553 1.00 52.88 ? 240 PHE F N 1 ATOM 4951 C CA . PHE C 3 262 ? -14.517 -29.964 -31.051 1.00 52.00 ? 240 PHE F CA 1 ATOM 4952 C C . PHE C 3 262 ? -13.219 -30.681 -30.690 1.00 56.49 ? 240 PHE F C 1 ATOM 4953 O O . PHE C 3 262 ? -12.350 -30.815 -31.550 1.00 56.12 ? 240 PHE F O 1 ATOM 4954 C CB . PHE C 3 262 ? -14.522 -28.515 -30.516 1.00 53.08 ? 240 PHE F CB 1 ATOM 4955 C CG . PHE C 3 262 ? -13.306 -27.678 -30.857 1.00 54.20 ? 240 PHE F CG 1 ATOM 4956 C CD1 . PHE C 3 262 ? -13.105 -27.205 -32.148 1.00 56.88 ? 240 PHE F CD1 1 ATOM 4957 C CD2 . PHE C 3 262 ? -12.382 -27.331 -29.877 1.00 56.50 ? 240 PHE F CD2 1 ATOM 4958 C CE1 . PHE C 3 262 ? -11.982 -26.431 -32.461 1.00 57.65 ? 240 PHE F CE1 1 ATOM 4959 C CE2 . PHE C 3 262 ? -11.263 -26.548 -30.190 1.00 59.12 ? 240 PHE F CE2 1 ATOM 4960 C CZ . PHE C 3 262 ? -11.070 -26.107 -31.481 1.00 56.89 ? 240 PHE F CZ 1 ATOM 4961 N N . LYS C 3 263 ? -13.099 -31.155 -29.427 1.00 53.76 ? 241 LYS F N 1 ATOM 4962 C CA . LYS C 3 263 ? -11.937 -31.901 -28.930 1.00 54.63 ? 241 LYS F CA 1 ATOM 4963 C C . LYS C 3 263 ? -11.798 -33.217 -29.688 1.00 59.84 ? 241 LYS F C 1 ATOM 4964 O O . LYS C 3 263 ? -10.679 -33.624 -30.009 1.00 60.09 ? 241 LYS F O 1 ATOM 4965 C CB . LYS C 3 263 ? -12.054 -32.166 -27.419 1.00 57.79 ? 241 LYS F CB 1 ATOM 4966 C CG . LYS C 3 263 ? -11.609 -30.997 -26.556 1.00 71.00 ? 241 LYS F CG 1 ATOM 4967 C CD . LYS C 3 263 ? -10.361 -31.340 -25.753 1.00 82.30 ? 241 LYS F CD 1 ATOM 4968 C CE . LYS C 3 263 ? -9.444 -30.155 -25.567 1.00 93.17 ? 241 LYS F CE 1 ATOM 4969 N NZ . LYS C 3 263 ? -9.954 -29.201 -24.547 1.00 102.41 ? 241 LYS F NZ 1 ATOM 4970 N N . TYR C 3 264 ? -12.943 -33.864 -29.992 1.00 56.96 ? 242 TYR F N 1 ATOM 4971 C CA . TYR C 3 264 ? -12.986 -35.110 -30.749 1.00 58.11 ? 242 TYR F CA 1 ATOM 4972 C C . TYR C 3 264 ? -12.579 -34.862 -32.200 1.00 61.51 ? 242 TYR F C 1 ATOM 4973 O O . TYR C 3 264 ? -11.780 -35.630 -32.737 1.00 62.15 ? 242 TYR F O 1 ATOM 4974 C CB . TYR C 3 264 ? -14.370 -35.779 -30.657 1.00 59.92 ? 242 TYR F CB 1 ATOM 4975 C CG . TYR C 3 264 ? -14.407 -37.161 -31.276 1.00 63.45 ? 242 TYR F CG 1 ATOM 4976 C CD1 . TYR C 3 264 ? -13.766 -38.238 -30.668 1.00 67.36 ? 242 TYR F CD1 1 ATOM 4977 C CD2 . TYR C 3 264 ? -15.075 -37.391 -32.475 1.00 64.16 ? 242 TYR F CD2 1 ATOM 4978 C CE1 . TYR C 3 264 ? -13.781 -39.508 -31.242 1.00 70.05 ? 242 TYR F CE1 1 ATOM 4979 C CE2 . TYR C 3 264 ? -15.104 -38.659 -33.055 1.00 66.80 ? 242 TYR F CE2 1 ATOM 4980 C CZ . TYR C 3 264 ? -14.455 -39.715 -32.435 1.00 76.29 ? 242 TYR F CZ 1 ATOM 4981 O OH . TYR C 3 264 ? -14.479 -40.966 -33.002 1.00 79.22 ? 242 TYR F OH 1 ATOM 4982 N N . TRP C 3 265 ? -13.091 -33.769 -32.813 1.00 56.74 ? 243 TRP F N 1 ATOM 4983 C CA . TRP C 3 265 ? -12.757 -33.385 -34.186 1.00 56.15 ? 243 TRP F CA 1 ATOM 4984 C C . TRP C 3 265 ? -11.267 -33.069 -34.330 1.00 60.31 ? 243 TRP F C 1 ATOM 4985 O O . TRP C 3 265 ? -10.675 -33.477 -35.322 1.00 60.34 ? 243 TRP F O 1 ATOM 4986 C CB . TRP C 3 265 ? -13.630 -32.214 -34.691 1.00 53.61 ? 243 TRP F CB 1 ATOM 4987 C CG . TRP C 3 265 ? -13.237 -31.721 -36.055 1.00 54.17 ? 243 TRP F CG 1 ATOM 4988 C CD1 . TRP C 3 265 ? -13.491 -32.329 -37.249 1.00 57.53 ? 243 TRP F CD1 1 ATOM 4989 C CD2 . TRP C 3 265 ? -12.438 -30.568 -36.353 1.00 53.33 ? 243 TRP F CD2 1 ATOM 4990 N NE1 . TRP C 3 265 ? -12.907 -31.622 -38.274 1.00 56.59 ? 243 TRP F NE1 1 ATOM 4991 C CE2 . TRP C 3 265 ? -12.272 -30.524 -37.755 1.00 57.31 ? 243 TRP F CE2 1 ATOM 4992 C CE3 . TRP C 3 265 ? -11.851 -29.557 -35.570 1.00 54.06 ? 243 TRP F CE3 1 ATOM 4993 C CZ2 . TRP C 3 265 ? -11.540 -29.514 -38.391 1.00 56.23 ? 243 TRP F CZ2 1 ATOM 4994 C CZ3 . TRP C 3 265 ? -11.134 -28.551 -36.202 1.00 55.16 ? 243 TRP F CZ3 1 ATOM 4995 C CH2 . TRP C 3 265 ? -10.986 -28.535 -37.596 1.00 55.93 ? 243 TRP F CH2 1 ATOM 4996 N N . LEU C 3 266 ? -10.658 -32.381 -33.334 1.00 56.84 ? 244 LEU F N 1 ATOM 4997 C CA . LEU C 3 266 ? -9.233 -32.016 -33.338 1.00 57.05 ? 244 LEU F CA 1 ATOM 4998 C C . LEU C 3 266 ? -8.284 -33.197 -33.534 1.00 63.05 ? 244 LEU F C 1 ATOM 4999 O O . LEU C 3 266 ? -7.237 -33.036 -34.160 1.00 62.98 ? 244 LEU F O 1 ATOM 5000 C CB . LEU C 3 266 ? -8.835 -31.235 -32.073 1.00 56.75 ? 244 LEU F CB 1 ATOM 5001 C CG . LEU C 3 266 ? -9.216 -29.753 -31.993 1.00 60.06 ? 244 LEU F CG 1 ATOM 5002 C CD1 . LEU C 3 266 ? -8.728 -29.151 -30.693 1.00 60.24 ? 244 LEU F CD1 1 ATOM 5003 C CD2 . LEU C 3 266 ? -8.652 -28.954 -33.162 1.00 61.85 ? 244 LEU F CD2 1 ATOM 5004 N N . LYS C 3 267 ? -8.646 -34.376 -33.007 1.00 61.31 ? 245 LYS F N 1 ATOM 5005 C CA . LYS C 3 267 ? -7.832 -35.581 -33.143 1.00 63.39 ? 245 LYS F CA 1 ATOM 5006 C C . LYS C 3 267 ? -8.281 -36.477 -34.312 1.00 68.50 ? 245 LYS F C 1 ATOM 5007 O O . LYS C 3 267 ? -7.481 -37.274 -34.807 1.00 69.67 ? 245 LYS F O 1 ATOM 5008 C CB . LYS C 3 267 ? -7.759 -36.360 -31.811 1.00 67.47 ? 245 LYS F CB 1 ATOM 5009 C CG . LYS C 3 267 ? -9.047 -37.076 -31.400 1.00 83.76 ? 245 LYS F CG 1 ATOM 5010 C CD . LYS C 3 267 ? -8.905 -37.751 -30.047 1.00 96.40 ? 245 LYS F CD 1 ATOM 5011 C CE . LYS C 3 267 ? -9.613 -39.083 -29.987 1.00 110.16 ? 245 LYS F CE 1 ATOM 5012 N NZ . LYS C 3 267 ? -8.728 -40.192 -30.429 1.00 122.00 ? 245 LYS F NZ 1 ATOM 5013 N N . GLU C 3 268 ? -9.549 -36.339 -34.750 1.00 64.44 ? 246 GLU F N 1 ATOM 5014 C CA . GLU C 3 268 ? -10.127 -37.152 -35.821 1.00 65.17 ? 246 GLU F CA 1 ATOM 5015 C C . GLU C 3 268 ? -10.288 -36.449 -37.186 1.00 68.13 ? 246 GLU F C 1 ATOM 5016 O O . GLU C 3 268 ? -10.746 -37.087 -38.138 1.00 68.42 ? 246 GLU F O 1 ATOM 5017 C CB . GLU C 3 268 ? -11.439 -37.806 -35.345 1.00 66.99 ? 246 GLU F CB 1 ATOM 5018 C CG . GLU C 3 268 ? -11.451 -39.328 -35.426 1.00 80.79 ? 246 GLU F CG 1 ATOM 5019 C CD . GLU C 3 268 ? -10.403 -40.074 -34.620 1.00 105.27 ? 246 GLU F CD 1 ATOM 5020 O OE1 . GLU C 3 268 ? -9.417 -40.547 -35.231 1.00 101.76 ? 246 GLU F OE1 1 ATOM 5021 O OE2 . GLU C 3 268 ? -10.569 -40.198 -33.384 1.00 100.70 ? 246 GLU F OE2 1 ATOM 5022 N N . ARG C 3 269 ? -9.876 -35.165 -37.292 1.00 63.26 ? 247 ARG F N 1 ATOM 5023 C CA . ARG C 3 269 ? -9.951 -34.370 -38.530 1.00 62.14 ? 247 ARG F CA 1 ATOM 5024 C C . ARG C 3 269 ? -9.113 -34.925 -39.684 1.00 67.41 ? 247 ARG F C 1 ATOM 5025 O O . ARG C 3 269 ? -9.489 -34.754 -40.845 1.00 66.89 ? 247 ARG F O 1 ATOM 5026 C CB . ARG C 3 269 ? -9.624 -32.882 -38.282 1.00 60.65 ? 247 ARG F CB 1 ATOM 5027 C CG . ARG C 3 269 ? -8.286 -32.604 -37.590 1.00 69.91 ? 247 ARG F CG 1 ATOM 5028 C CD . ARG C 3 269 ? -8.256 -31.212 -36.988 1.00 75.63 ? 247 ARG F CD 1 ATOM 5029 N NE . ARG C 3 269 ? -6.975 -30.540 -37.217 1.00 81.88 ? 247 ARG F NE 1 ATOM 5030 C CZ . ARG C 3 269 ? -6.062 -30.306 -36.279 1.00 95.35 ? 247 ARG F CZ 1 ATOM 5031 N NH1 . ARG C 3 269 ? -6.276 -30.680 -35.025 1.00 82.90 ? 247 ARG F NH1 1 ATOM 5032 N NH2 . ARG C 3 269 ? -4.930 -29.688 -36.588 1.00 81.84 ? 247 ARG F NH2 1 ATOM 5033 N N . GLY C 3 270 ? -7.998 -35.574 -39.351 1.00 65.40 ? 248 GLY F N 1 ATOM 5034 C CA . GLY C 3 270 ? -7.071 -36.139 -40.324 1.00 66.66 ? 248 GLY F CA 1 ATOM 5035 C C . GLY C 3 270 ? -6.213 -35.071 -40.968 1.00 69.87 ? 248 GLY F C 1 ATOM 5036 O O . GLY C 3 270 ? -6.056 -33.981 -40.409 1.00 68.14 ? 248 GLY F O 1 ATOM 5037 N N . ALA C 3 271 ? -5.659 -35.373 -42.155 1.00 67.55 ? 249 ALA F N 1 ATOM 5038 C CA . ALA C 3 271 ? -4.809 -34.446 -42.903 1.00 67.09 ? 249 ALA F CA 1 ATOM 5039 C C . ALA C 3 271 ? -5.626 -33.320 -43.540 1.00 69.44 ? 249 ALA F C 1 ATOM 5040 O O . ALA C 3 271 ? -6.698 -33.572 -44.098 1.00 68.83 ? 249 ALA F O 1 ATOM 5041 C CB . ALA C 3 271 ? -4.022 -35.195 -43.966 1.00 69.62 ? 249 ALA F CB 1 ATOM 5042 N N . SER C 3 272 ? -5.116 -32.078 -43.450 1.00 65.07 ? 250 SER F N 1 ATOM 5043 C CA . SER C 3 272 ? -5.757 -30.886 -44.012 1.00 63.64 ? 250 SER F CA 1 ATOM 5044 C C . SER C 3 272 ? -5.582 -30.807 -45.534 1.00 68.08 ? 250 SER F C 1 ATOM 5045 O O . SER C 3 272 ? -4.851 -31.621 -46.106 1.00 69.00 ? 250 SER F O 1 ATOM 5046 C CB . SER C 3 272 ? -5.230 -29.625 -43.333 1.00 66.43 ? 250 SER F CB 1 ATOM 5047 O OG . SER C 3 272 ? -3.833 -29.469 -43.521 1.00 76.15 ? 250 SER F OG 1 ATOM 5048 N N . LEU C 3 273 ? -6.253 -29.828 -46.187 1.00 63.84 ? 251 LEU F N 1 ATOM 5049 C CA . LEU C 3 273 ? -6.196 -29.614 -47.639 1.00 64.20 ? 251 LEU F CA 1 ATOM 5050 C C . LEU C 3 273 ? -4.783 -29.401 -48.193 1.00 69.12 ? 251 LEU F C 1 ATOM 5051 O O . LEU C 3 273 ? -4.523 -29.787 -49.328 1.00 69.68 ? 251 LEU F O 1 ATOM 5052 C CB . LEU C 3 273 ? -7.147 -28.495 -48.093 1.00 63.45 ? 251 LEU F CB 1 ATOM 5053 C CG . LEU C 3 273 ? -8.632 -28.861 -48.173 1.00 67.80 ? 251 LEU F CG 1 ATOM 5054 C CD1 . LEU C 3 273 ? -9.495 -27.620 -48.165 1.00 67.30 ? 251 LEU F CD1 1 ATOM 5055 C CD2 . LEU C 3 273 ? -8.939 -29.699 -49.410 1.00 71.15 ? 251 LEU F CD2 1 ATOM 5056 N N . GLN C 3 274 ? -3.864 -28.845 -47.375 1.00 65.67 ? 252 GLN F N 1 ATOM 5057 C CA . GLN C 3 274 ? -2.452 -28.622 -47.716 1.00 66.60 ? 252 GLN F CA 1 ATOM 5058 C C . GLN C 3 274 ? -1.755 -29.951 -48.090 1.00 72.50 ? 252 GLN F C 1 ATOM 5059 O O . GLN C 3 274 ? -0.839 -29.955 -48.915 1.00 73.28 ? 252 GLN F O 1 ATOM 5060 C CB . GLN C 3 274 ? -1.740 -27.926 -46.530 1.00 67.48 ? 252 GLN F CB 1 ATOM 5061 C CG . GLN C 3 274 ? -0.208 -27.815 -46.607 1.00 82.22 ? 252 GLN F CG 1 ATOM 5062 C CD . GLN C 3 274 ? 0.283 -26.886 -47.691 1.00 100.54 ? 252 GLN F CD 1 ATOM 5063 O OE1 . GLN C 3 274 ? 0.025 -25.680 -47.677 1.00 95.03 ? 252 GLN F OE1 1 ATOM 5064 N NE2 . GLN C 3 274 ? 1.047 -27.423 -48.630 1.00 94.01 ? 252 GLN F NE2 1 ATOM 5065 N N . HIS C 3 275 ? -2.230 -31.070 -47.508 1.00 69.63 ? 253 HIS F N 1 ATOM 5066 C CA . HIS C 3 275 ? -1.691 -32.416 -47.709 1.00 71.43 ? 253 HIS F CA 1 ATOM 5067 C C . HIS C 3 275 ? -2.531 -33.306 -48.643 1.00 76.52 ? 253 HIS F C 1 ATOM 5068 O O . HIS C 3 275 ? -1.968 -34.201 -49.274 1.00 77.83 ? 253 HIS F O 1 ATOM 5069 C CB . HIS C 3 275 ? -1.504 -33.120 -46.352 1.00 72.49 ? 253 HIS F CB 1 ATOM 5070 C CG . HIS C 3 275 ? -0.789 -32.297 -45.324 1.00 75.22 ? 253 HIS F CG 1 ATOM 5071 N ND1 . HIS C 3 275 ? 0.589 -32.321 -45.212 1.00 78.29 ? 253 HIS F ND1 1 ATOM 5072 C CD2 . HIS C 3 275 ? -1.289 -31.455 -44.390 1.00 75.29 ? 253 HIS F CD2 1 ATOM 5073 C CE1 . HIS C 3 275 ? 0.883 -31.495 -44.222 1.00 76.79 ? 253 HIS F CE1 1 ATOM 5074 N NE2 . HIS C 3 275 ? -0.215 -30.949 -43.698 1.00 75.34 ? 253 HIS F NE2 1 ATOM 5075 N N . THR C 3 276 ? -3.863 -33.084 -48.718 1.00 72.39 ? 254 THR F N 1 ATOM 5076 C CA . THR C 3 276 ? -4.771 -33.920 -49.521 1.00 73.07 ? 254 THR F CA 1 ATOM 5077 C C . THR C 3 276 ? -5.204 -33.376 -50.891 1.00 77.63 ? 254 THR F C 1 ATOM 5078 O O . THR C 3 276 ? -5.569 -34.180 -51.754 1.00 78.28 ? 254 THR F O 1 ATOM 5079 C CB . THR C 3 276 ? -5.992 -34.368 -48.698 1.00 80.11 ? 254 THR F CB 1 ATOM 5080 O OG1 . THR C 3 276 ? -6.760 -33.223 -48.330 1.00 77.71 ? 254 THR F OG1 1 ATOM 5081 C CG2 . THR C 3 276 ? -5.616 -35.186 -47.466 1.00 79.46 ? 254 THR F CG2 1 ATOM 5082 N N . ALA C 3 277 ? -5.200 -32.037 -51.086 1.00 81.26 ? 255 ALA F N 1 ATOM 5083 C CA . ALA C 3 277 ? -5.638 -31.395 -52.336 1.00 79.99 ? 255 ALA F CA 1 ATOM 5084 C C . ALA C 3 277 ? -4.867 -31.828 -53.590 1.00 83.79 ? 255 ALA F C 1 ATOM 5085 O O . ALA C 3 277 ? -3.635 -31.892 -53.555 1.00 82.67 ? 255 ALA F O 1 ATOM 5086 C CB . ALA C 3 277 ? -5.610 -29.880 -52.205 1.00 78.83 ? 255 ALA F CB 1 ATOM 5087 N N . PRO C 3 278 ? -5.577 -32.099 -54.715 1.00 81.09 ? 256 PRO F N 1 ATOM 5088 C CA . PRO C 3 278 ? -4.880 -32.489 -55.954 1.00 80.46 ? 256 PRO F CA 1 ATOM 5089 C C . PRO C 3 278 ? -4.135 -31.317 -56.601 1.00 82.85 ? 256 PRO F C 1 ATOM 5090 O O . PRO C 3 278 ? -4.226 -30.189 -56.115 1.00 81.42 ? 256 PRO F O 1 ATOM 5091 C CB . PRO C 3 278 ? -6.014 -33.000 -56.861 1.00 83.00 ? 256 PRO F CB 1 ATOM 5092 C CG . PRO C 3 278 ? -7.237 -33.080 -55.992 1.00 88.94 ? 256 PRO F CG 1 ATOM 5093 C CD . PRO C 3 278 ? -7.037 -32.069 -54.920 1.00 83.62 ? 256 PRO F CD 1 ATOM 5094 N N . PHE C 3 279 ? -3.386 -31.595 -57.691 1.00 79.45 ? 257 PHE F N 1 ATOM 5095 C CA . PHE C 3 279 ? -2.601 -30.627 -58.475 1.00 77.74 ? 257 PHE F CA 1 ATOM 5096 C C . PHE C 3 279 ? -1.497 -29.874 -57.689 1.00 81.47 ? 257 PHE F C 1 ATOM 5097 O O . PHE C 3 279 ? -1.041 -28.812 -58.127 1.00 79.64 ? 257 PHE F O 1 ATOM 5098 C CB . PHE C 3 279 ? -3.512 -29.666 -59.279 1.00 78.49 ? 257 PHE F CB 1 ATOM 5099 C CG . PHE C 3 279 ? -4.601 -30.326 -60.097 1.00 80.86 ? 257 PHE F CG 1 ATOM 5100 C CD1 . PHE C 3 279 ? -5.924 -30.302 -59.673 1.00 84.84 ? 257 PHE F CD1 1 ATOM 5101 C CD2 . PHE C 3 279 ? -4.305 -30.955 -61.301 1.00 83.00 ? 257 PHE F CD2 1 ATOM 5102 C CE1 . PHE C 3 279 ? -6.932 -30.902 -60.434 1.00 86.61 ? 257 PHE F CE1 1 ATOM 5103 C CE2 . PHE C 3 279 ? -5.313 -31.559 -62.060 1.00 86.55 ? 257 PHE F CE2 1 ATOM 5104 C CZ . PHE C 3 279 ? -6.619 -31.529 -61.620 1.00 85.53 ? 257 PHE F CZ 1 ATOM 5105 N N . GLY C 3 280 ? -1.066 -30.454 -56.566 1.00 79.53 ? 258 GLY F N 1 ATOM 5106 C CA . GLY C 3 280 ? -0.019 -29.915 -55.702 1.00 79.12 ? 258 GLY F CA 1 ATOM 5107 C C . GLY C 3 280 ? -0.319 -28.574 -55.062 1.00 82.62 ? 258 GLY F C 1 ATOM 5108 O O . GLY C 3 280 ? 0.595 -27.763 -54.882 1.00 81.19 ? 258 GLY F O 1 ATOM 5109 N N . CYS C 3 281 ? -1.598 -28.339 -54.700 1.00 80.12 ? 259 CYS F N 1 ATOM 5110 C CA . CYS C 3 281 ? -2.068 -27.102 -54.068 1.00 79.34 ? 259 CYS F CA 1 ATOM 5111 C C . CYS C 3 281 ? -1.427 -26.860 -52.710 1.00 82.52 ? 259 CYS F C 1 ATOM 5112 O O . CYS C 3 281 ? -1.343 -27.779 -51.892 1.00 83.30 ? 259 CYS F O 1 ATOM 5113 C CB . CYS C 3 281 ? -3.591 -27.087 -53.959 1.00 80.76 ? 259 CYS F CB 1 ATOM 5114 S SG . CYS C 3 281 ? -4.457 -27.013 -55.546 1.00 84.55 ? 259 CYS F SG 1 ATOM 5115 N N . GLN C 3 282 ? -0.993 -25.616 -52.473 1.00 77.32 ? 260 GLN F N 1 ATOM 5116 C CA . GLN C 3 282 ? -0.437 -25.169 -51.197 1.00 76.80 ? 260 GLN F CA 1 ATOM 5117 C C . GLN C 3 282 ? -1.548 -24.337 -50.558 1.00 80.19 ? 260 GLN F C 1 ATOM 5118 O O . GLN C 3 282 ? -2.075 -23.430 -51.205 1.00 78.96 ? 260 GLN F O 1 ATOM 5119 C CB . GLN C 3 282 ? 0.843 -24.325 -51.387 1.00 76.88 ? 260 GLN F CB 1 ATOM 5120 C CG . GLN C 3 282 ? 1.961 -24.991 -52.199 1.00 91.63 ? 260 GLN F CG 1 ATOM 5121 C CD . GLN C 3 282 ? 2.582 -26.184 -51.514 1.00 111.70 ? 260 GLN F CD 1 ATOM 5122 O OE1 . GLN C 3 282 ? 3.192 -26.077 -50.444 1.00 107.41 ? 260 GLN F OE1 1 ATOM 5123 N NE2 . GLN C 3 282 ? 2.463 -27.344 -52.137 1.00 104.51 ? 260 GLN F NE2 1 ATOM 5124 N N . ILE C 3 283 ? -1.952 -24.681 -49.328 1.00 77.45 ? 261 ILE F N 1 ATOM 5125 C CA . ILE C 3 283 ? -3.046 -23.983 -48.651 1.00 77.37 ? 261 ILE F CA 1 ATOM 5126 C C . ILE C 3 283 ? -2.545 -23.076 -47.523 1.00 80.30 ? 261 ILE F C 1 ATOM 5127 O O . ILE C 3 283 ? -1.836 -23.535 -46.626 1.00 80.23 ? 261 ILE F O 1 ATOM 5128 C CB . ILE C 3 283 ? -4.180 -24.967 -48.215 1.00 82.41 ? 261 ILE F CB 1 ATOM 5129 C CG1 . ILE C 3 283 ? -4.660 -25.893 -49.379 1.00 83.58 ? 261 ILE F CG1 1 ATOM 5130 C CG2 . ILE C 3 283 ? -5.352 -24.249 -47.533 1.00 83.68 ? 261 ILE F CG2 1 ATOM 5131 C CD1 . ILE C 3 283 ? -5.368 -25.217 -50.639 1.00 90.24 ? 261 ILE F CD1 1 ATOM 5132 N N . ALA C 3 284 ? -2.918 -21.785 -47.591 1.00 75.80 ? 262 ALA F N 1 ATOM 5133 C CA . ALA C 3 284 ? -2.572 -20.752 -46.612 1.00 74.86 ? 262 ALA F CA 1 ATOM 5134 C C . ALA C 3 284 ? -3.841 -20.164 -45.984 1.00 79.37 ? 262 ALA F C 1 ATOM 5135 O O . ALA C 3 284 ? -4.923 -20.293 -46.559 1.00 79.65 ? 262 ALA F O 1 ATOM 5136 C CB . ALA C 3 284 ? -1.757 -19.654 -47.278 1.00 74.05 ? 262 ALA F CB 1 ATOM 5137 N N . THR C 3 285 ? -3.707 -19.534 -44.800 1.00 75.84 ? 263 THR F N 1 ATOM 5138 C CA . THR C 3 285 ? -4.821 -18.919 -44.068 1.00 76.44 ? 263 THR F CA 1 ATOM 5139 C C . THR C 3 285 ? -4.602 -17.420 -43.836 1.00 79.14 ? 263 THR F C 1 ATOM 5140 O O . THR C 3 285 ? -3.505 -16.909 -44.078 1.00 77.34 ? 263 THR F O 1 ATOM 5141 C CB . THR C 3 285 ? -5.090 -19.657 -42.744 1.00 85.92 ? 263 THR F CB 1 ATOM 5142 O OG1 . THR C 3 285 ? -3.888 -19.705 -41.975 1.00 84.83 ? 263 THR F OG1 1 ATOM 5143 C CG2 . THR C 3 285 ? -5.657 -21.053 -42.949 1.00 86.17 ? 263 THR F CG2 1 ATOM 5144 N N . ASN C 3 286 ? -5.659 -16.729 -43.352 1.00 76.46 ? 264 ASN F N 1 ATOM 5145 C CA . ASN C 3 286 ? -5.713 -15.295 -43.044 1.00 75.62 ? 264 ASN F CA 1 ATOM 5146 C C . ASN C 3 286 ? -5.251 -14.372 -44.210 1.00 78.11 ? 264 ASN F C 1 ATOM 5147 O O . ASN C 3 286 ? -4.223 -13.700 -44.080 1.00 76.43 ? 264 ASN F O 1 ATOM 5148 C CB . ASN C 3 286 ? -5.003 -14.988 -41.710 1.00 76.20 ? 264 ASN F CB 1 ATOM 5149 C CG . ASN C 3 286 ? -5.378 -13.664 -41.087 1.00 100.47 ? 264 ASN F CG 1 ATOM 5150 O OD1 . ASN C 3 286 ? -6.555 -13.357 -40.863 1.00 96.21 ? 264 ASN F OD1 1 ATOM 5151 N ND2 . ASN C 3 286 ? -4.375 -12.868 -40.748 1.00 91.56 ? 264 ASN F ND2 1 ATOM 5152 N N . PRO C 3 287 ? -5.975 -14.312 -45.360 1.00 75.03 ? 265 PRO F N 1 ATOM 5153 C CA . PRO C 3 287 ? -7.214 -15.033 -45.715 1.00 76.26 ? 265 PRO F CA 1 ATOM 5154 C C . PRO C 3 287 ? -6.951 -16.423 -46.304 1.00 80.32 ? 265 PRO F C 1 ATOM 5155 O O . PRO C 3 287 ? -5.833 -16.691 -46.755 1.00 78.93 ? 265 PRO F O 1 ATOM 5156 C CB . PRO C 3 287 ? -7.867 -14.087 -46.727 1.00 77.96 ? 265 PRO F CB 1 ATOM 5157 C CG . PRO C 3 287 ? -6.698 -13.453 -47.445 1.00 80.78 ? 265 PRO F CG 1 ATOM 5158 C CD . PRO C 3 287 ? -5.540 -13.428 -46.463 1.00 75.54 ? 265 PRO F CD 1 ATOM 5159 N N . VAL C 3 288 ? -7.971 -17.308 -46.303 1.00 78.29 ? 266 VAL F N 1 ATOM 5160 C CA . VAL C 3 288 ? -7.810 -18.653 -46.867 1.00 78.46 ? 266 VAL F CA 1 ATOM 5161 C C . VAL C 3 288 ? -7.662 -18.594 -48.385 1.00 81.28 ? 266 VAL F C 1 ATOM 5162 O O . VAL C 3 288 ? -8.433 -17.900 -49.055 1.00 80.83 ? 266 VAL F O 1 ATOM 5163 C CB . VAL C 3 288 ? -8.792 -19.746 -46.353 1.00 84.55 ? 266 VAL F CB 1 ATOM 5164 C CG1 . VAL C 3 288 ? -8.818 -19.793 -44.828 1.00 85.24 ? 266 VAL F CG1 1 ATOM 5165 C CG2 . VAL C 3 288 ? -10.199 -19.574 -46.917 1.00 85.65 ? 266 VAL F CG2 1 ATOM 5166 N N . ARG C 3 289 ? -6.611 -19.244 -48.908 1.00 77.07 ? 267 ARG F N 1 ATOM 5167 C CA . ARG C 3 289 ? -6.286 -19.225 -50.334 1.00 76.03 ? 267 ARG F CA 1 ATOM 5168 C C . ARG C 3 289 ? -5.557 -20.476 -50.818 1.00 79.83 ? 267 ARG F C 1 ATOM 5169 O O . ARG C 3 289 ? -4.845 -21.122 -50.046 1.00 79.61 ? 267 ARG F O 1 ATOM 5170 C CB . ARG C 3 289 ? -5.484 -17.952 -50.691 1.00 74.97 ? 267 ARG F CB 1 ATOM 5171 C CG . ARG C 3 289 ? -4.170 -17.780 -49.923 1.00 85.22 ? 267 ARG F CG 1 ATOM 5172 C CD . ARG C 3 289 ? -3.799 -16.321 -49.752 1.00 95.73 ? 267 ARG F CD 1 ATOM 5173 N NE . ARG C 3 289 ? -2.453 -16.161 -49.197 1.00 105.10 ? 267 ARG F NE 1 ATOM 5174 C CZ . ARG C 3 289 ? -2.180 -16.022 -47.902 1.00 120.41 ? 267 ARG F CZ 1 ATOM 5175 N NH1 . ARG C 3 289 ? -3.159 -16.018 -47.005 1.00 108.78 ? 267 ARG F NH1 1 ATOM 5176 N NH2 . ARG C 3 289 ? -0.926 -15.883 -47.494 1.00 107.30 ? 267 ARG F NH2 1 ATOM 5177 N N . ALA C 3 290 ? -5.732 -20.798 -52.110 1.00 76.17 ? 268 ALA F N 1 ATOM 5178 C CA . ALA C 3 290 ? -5.079 -21.918 -52.778 1.00 75.97 ? 268 ALA F CA 1 ATOM 5179 C C . ALA C 3 290 ? -3.914 -21.347 -53.582 1.00 78.48 ? 268 ALA F C 1 ATOM 5180 O O . ALA C 3 290 ? -4.122 -20.523 -54.478 1.00 77.34 ? 268 ALA F O 1 ATOM 5181 C CB . ALA C 3 290 ? -6.062 -22.629 -53.694 1.00 77.53 ? 268 ALA F CB 1 ATOM 5182 N N . VAL C 3 291 ? -2.684 -21.735 -53.215 1.00 74.91 ? 269 VAL F N 1 ATOM 5183 C CA . VAL C 3 291 ? -1.460 -21.245 -53.853 1.00 73.77 ? 269 VAL F CA 1 ATOM 5184 C C . VAL C 3 291 ? -0.790 -22.351 -54.681 1.00 78.19 ? 269 VAL F C 1 ATOM 5185 O O . VAL C 3 291 ? -0.660 -23.481 -54.209 1.00 78.65 ? 269 VAL F O 1 ATOM 5186 C CB . VAL C 3 291 ? -0.474 -20.590 -52.835 1.00 77.13 ? 269 VAL F CB 1 ATOM 5187 C CG1 . VAL C 3 291 ? 0.613 -19.786 -53.550 1.00 76.05 ? 269 VAL F CG1 1 ATOM 5188 C CG2 . VAL C 3 291 ? -1.208 -19.706 -51.822 1.00 76.91 ? 269 VAL F CG2 1 ATOM 5189 N N . ASN C 3 292 ? -0.378 -22.010 -55.919 1.00 74.33 ? 270 ASN F N 1 ATOM 5190 C CA . ASN C 3 292 ? 0.333 -22.868 -56.875 1.00 74.44 ? 270 ASN F CA 1 ATOM 5191 C C . ASN C 3 292 ? -0.370 -24.184 -57.264 1.00 79.53 ? 270 ASN F C 1 ATOM 5192 O O . ASN C 3 292 ? 0.268 -25.241 -57.307 1.00 79.74 ? 270 ASN F O 1 ATOM 5193 C CB . ASN C 3 292 ? 1.805 -23.084 -56.452 1.00 75.10 ? 270 ASN F CB 1 ATOM 5194 C CG . ASN C 3 292 ? 2.554 -21.831 -56.052 1.00 95.58 ? 270 ASN F CG 1 ATOM 5195 O OD1 . ASN C 3 292 ? 2.259 -20.716 -56.496 1.00 88.47 ? 270 ASN F OD1 1 ATOM 5196 N ND2 . ASN C 3 292 ? 3.553 -21.993 -55.201 1.00 87.75 ? 270 ASN F ND2 1 ATOM 5197 N N . CYS C 3 293 ? -1.677 -24.111 -57.578 1.00 76.54 ? 271 CYS F N 1 ATOM 5198 C CA . CYS C 3 293 ? -2.449 -25.273 -58.023 1.00 77.43 ? 271 CYS F CA 1 ATOM 5199 C C . CYS C 3 293 ? -2.127 -25.504 -59.500 1.00 82.03 ? 271 CYS F C 1 ATOM 5200 O O . CYS C 3 293 ? -2.520 -24.698 -60.346 1.00 80.86 ? 271 CYS F O 1 ATOM 5201 C CB . CYS C 3 293 ? -3.944 -25.062 -57.798 1.00 78.01 ? 271 CYS F CB 1 ATOM 5202 S SG . CYS C 3 293 ? -4.438 -25.046 -56.056 1.00 82.64 ? 271 CYS F SG 1 ATOM 5203 N N . ALA C 3 294 ? -1.364 -26.571 -59.802 1.00 80.09 ? 272 ALA F N 1 ATOM 5204 C CA . ALA C 3 294 ? -0.945 -26.897 -61.166 1.00 80.14 ? 272 ALA F CA 1 ATOM 5205 C C . ALA C 3 294 ? -2.076 -27.527 -61.997 1.00 85.59 ? 272 ALA F C 1 ATOM 5206 O O . ALA C 3 294 ? -2.068 -28.733 -62.262 1.00 86.16 ? 272 ALA F O 1 ATOM 5207 C CB . ALA C 3 294 ? 0.293 -27.786 -61.144 1.00 81.52 ? 272 ALA F CB 1 ATOM 5208 N N . VAL C 3 295 ? -3.052 -26.694 -62.405 1.00 82.44 ? 273 VAL F N 1 ATOM 5209 C CA . VAL C 3 295 ? -4.211 -27.119 -63.194 1.00 83.11 ? 273 VAL F CA 1 ATOM 5210 C C . VAL C 3 295 ? -4.509 -26.165 -64.362 1.00 87.03 ? 273 VAL F C 1 ATOM 5211 O O . VAL C 3 295 ? -4.617 -24.952 -64.168 1.00 85.92 ? 273 VAL F O 1 ATOM 5212 C CB . VAL C 3 295 ? -5.453 -27.464 -62.313 1.00 88.15 ? 273 VAL F CB 1 ATOM 5213 C CG1 . VAL C 3 295 ? -5.953 -26.260 -61.515 1.00 87.54 ? 273 VAL F CG1 1 ATOM 5214 C CG2 . VAL C 3 295 ? -6.580 -28.093 -63.133 1.00 88.72 ? 273 VAL F CG2 1 ATOM 5215 N N . GLY C 3 296 ? -4.615 -26.740 -65.558 1.00 84.45 ? 274 GLY F N 1 ATOM 5216 C CA . GLY C 3 296 ? -4.906 -26.017 -66.790 1.00 83.86 ? 274 GLY F CA 1 ATOM 5217 C C . GLY C 3 296 ? -3.777 -25.138 -67.281 1.00 87.74 ? 274 GLY F C 1 ATOM 5218 O O . GLY C 3 296 ? -2.615 -25.341 -66.916 1.00 87.25 ? 274 GLY F O 1 ATOM 5219 N N . ASN C 3 297 ? -4.126 -24.159 -68.128 1.00 84.57 ? 275 ASN F N 1 ATOM 5220 C CA . ASN C 3 297 ? -3.194 -23.205 -68.730 1.00 84.14 ? 275 ASN F CA 1 ATOM 5221 C C . ASN C 3 297 ? -3.572 -21.752 -68.415 1.00 88.67 ? 275 ASN F C 1 ATOM 5222 O O . ASN C 3 297 ? -4.647 -21.495 -67.865 1.00 88.38 ? 275 ASN F O 1 ATOM 5223 C CB . ASN C 3 297 ? -3.072 -23.444 -70.244 1.00 84.76 ? 275 ASN F CB 1 ATOM 5224 C CG . ASN C 3 297 ? -4.389 -23.481 -70.986 1.00 108.58 ? 275 ASN F CG 1 ATOM 5225 O OD1 . ASN C 3 297 ? -4.925 -24.552 -71.291 1.00 103.68 ? 275 ASN F OD1 1 ATOM 5226 N ND2 . ASN C 3 297 ? -4.931 -22.316 -71.310 1.00 100.29 ? 275 ASN F ND2 1 ATOM 5227 N N . MET C 3 298 ? -2.682 -20.806 -68.762 1.00 85.86 ? 276 MET F N 1 ATOM 5228 C CA . MET C 3 298 ? -2.894 -19.385 -68.513 1.00 85.94 ? 276 MET F CA 1 ATOM 5229 C C . MET C 3 298 ? -2.583 -18.507 -69.737 1.00 90.64 ? 276 MET F C 1 ATOM 5230 O O . MET C 3 298 ? -1.415 -18.380 -70.117 1.00 90.24 ? 276 MET F O 1 ATOM 5231 C CB . MET C 3 298 ? -2.089 -18.930 -67.286 1.00 88.29 ? 276 MET F CB 1 ATOM 5232 C CG . MET C 3 298 ? -2.454 -17.541 -66.800 1.00 91.91 ? 276 MET F CG 1 ATOM 5233 S SD . MET C 3 298 ? -1.313 -16.944 -65.538 1.00 96.10 ? 276 MET F SD 1 ATOM 5234 C CE . MET C 3 298 ? -1.943 -17.792 -64.105 1.00 92.96 ? 276 MET F CE 1 ATOM 5235 N N . PRO C 3 299 ? -3.610 -17.858 -70.336 1.00 88.07 ? 277 PRO F N 1 ATOM 5236 C CA . PRO C 3 299 ? -3.348 -16.961 -71.472 1.00 88.30 ? 277 PRO F CA 1 ATOM 5237 C C . PRO C 3 299 ? -2.743 -15.644 -70.989 1.00 93.57 ? 277 PRO F C 1 ATOM 5238 O O . PRO C 3 299 ? -3.163 -15.110 -69.959 1.00 93.17 ? 277 PRO F O 1 ATOM 5239 C CB . PRO C 3 299 ? -4.738 -16.748 -72.097 1.00 90.08 ? 277 PRO F CB 1 ATOM 5240 C CG . PRO C 3 299 ? -5.681 -17.644 -71.337 1.00 94.48 ? 277 PRO F CG 1 ATOM 5241 C CD . PRO C 3 299 ? -5.047 -17.885 -70.011 1.00 89.90 ? 277 PRO F CD 1 ATOM 5242 N N . ILE C 3 300 ? -1.729 -15.145 -71.709 1.00 91.40 ? 278 ILE F N 1 ATOM 5243 C CA . ILE C 3 300 ? -1.035 -13.901 -71.375 1.00 92.14 ? 278 ILE F CA 1 ATOM 5244 C C . ILE C 3 300 ? -1.009 -12.955 -72.579 1.00 97.95 ? 278 ILE F C 1 ATOM 5245 O O . ILE C 3 300 ? -0.562 -13.339 -73.662 1.00 97.70 ? 278 ILE F O 1 ATOM 5246 C CB . ILE C 3 300 ? 0.368 -14.175 -70.745 1.00 95.36 ? 278 ILE F CB 1 ATOM 5247 C CG1 . ILE C 3 300 ? 0.219 -14.712 -69.299 1.00 95.41 ? 278 ILE F CG1 1 ATOM 5248 C CG2 . ILE C 3 300 ? 1.273 -12.929 -70.772 1.00 96.72 ? 278 ILE F CG2 1 ATOM 5249 C CD1 . ILE C 3 300 ? 1.382 -15.541 -68.779 1.00 102.74 ? 278 ILE F CD1 1 ATOM 5250 N N . SER C 3 301 ? -1.510 -11.723 -72.377 1.00 96.07 ? 279 SER F N 1 ATOM 5251 C CA . SER C 3 301 ? -1.562 -10.670 -73.388 1.00 97.20 ? 279 SER F CA 1 ATOM 5252 C C . SER C 3 301 ? -0.618 -9.535 -72.989 1.00 103.24 ? 279 SER F C 1 ATOM 5253 O O . SER C 3 301 ? -0.741 -8.992 -71.889 1.00 102.77 ? 279 SER F O 1 ATOM 5254 C CB . SER C 3 301 ? -2.990 -10.153 -73.546 1.00 100.89 ? 279 SER F CB 1 ATOM 5255 O OG . SER C 3 301 ? -3.073 -9.113 -74.507 1.00 110.54 ? 279 SER F OG 1 ATOM 5256 N N . ILE C 3 302 ? 0.350 -9.211 -73.865 1.00 101.80 ? 280 ILE F N 1 ATOM 5257 C CA . ILE C 3 302 ? 1.328 -8.145 -73.625 1.00 103.27 ? 280 ILE F CA 1 ATOM 5258 C C . ILE C 3 302 ? 1.264 -7.112 -74.752 1.00 109.84 ? 280 ILE F C 1 ATOM 5259 O O . ILE C 3 302 ? 1.564 -7.434 -75.904 1.00 109.76 ? 280 ILE F O 1 ATOM 5260 C CB . ILE C 3 302 ? 2.784 -8.663 -73.388 1.00 106.65 ? 280 ILE F CB 1 ATOM 5261 C CG1 . ILE C 3 302 ? 2.828 -9.934 -72.506 1.00 105.97 ? 280 ILE F CG1 1 ATOM 5262 C CG2 . ILE C 3 302 ? 3.668 -7.549 -72.801 1.00 108.45 ? 280 ILE F CG2 1 ATOM 5263 C CD1 . ILE C 3 302 ? 3.990 -10.892 -72.796 1.00 113.69 ? 280 ILE F CD1 1 ATOM 5264 N N . ASP C 3 303 ? 0.870 -5.874 -74.413 1.00 108.41 ? 281 ASP F N 1 ATOM 5265 C CA . ASP C 3 303 ? 0.792 -4.772 -75.368 1.00 110.28 ? 281 ASP F CA 1 ATOM 5266 C C . ASP C 3 303 ? 2.114 -4.001 -75.318 1.00 117.03 ? 281 ASP F C 1 ATOM 5267 O O . ASP C 3 303 ? 2.316 -3.154 -74.441 1.00 117.07 ? 281 ASP F O 1 ATOM 5268 C CB . ASP C 3 303 ? -0.415 -3.863 -75.065 1.00 112.41 ? 281 ASP F CB 1 ATOM 5269 C CG . ASP C 3 303 ? -0.891 -3.047 -76.252 1.00 123.68 ? 281 ASP F CG 1 ATOM 5270 O OD1 . ASP C 3 303 ? -0.127 -2.173 -76.719 1.00 125.75 ? 281 ASP F OD1 1 ATOM 5271 O OD2 . ASP C 3 303 ? -2.041 -3.257 -76.692 1.00 129.24 ? 281 ASP F OD2 1 ATOM 5272 N N . ILE C 3 304 ? 3.033 -4.341 -76.237 1.00 108.76 ? 282 ILE F N 1 ATOM 5273 C CA . ILE C 3 304 ? 4.362 -3.729 -76.334 1.00 109.07 ? 282 ILE F CA 1 ATOM 5274 C C . ILE C 3 304 ? 4.279 -2.442 -77.181 1.00 114.32 ? 282 ILE F C 1 ATOM 5275 O O . ILE C 3 304 ? 3.776 -2.498 -78.307 1.00 113.82 ? 282 ILE F O 1 ATOM 5276 C CB . ILE C 3 304 ? 5.428 -4.744 -76.856 1.00 112.07 ? 282 ILE F CB 1 ATOM 5277 C CG1 . ILE C 3 304 ? 5.392 -6.063 -76.050 1.00 112.61 ? 282 ILE F CG1 1 ATOM 5278 C CG2 . ILE C 3 304 ? 6.839 -4.139 -76.834 1.00 112.73 ? 282 ILE F CG2 1 ATOM 5279 C CD1 . ILE C 3 304 ? 5.557 -7.320 -76.878 1.00 119.93 ? 282 ILE F CD1 1 ATOM 5280 N N . PRO C 3 305 ? 4.748 -1.277 -76.658 1.00 112.05 ? 283 PRO F N 1 ATOM 5281 C CA . PRO C 3 305 ? 4.661 -0.030 -77.445 1.00 112.24 ? 283 PRO F CA 1 ATOM 5282 C C . PRO C 3 305 ? 5.555 -0.001 -78.685 1.00 117.11 ? 283 PRO F C 1 ATOM 5283 O O . PRO C 3 305 ? 6.545 -0.735 -78.751 1.00 116.59 ? 283 PRO F O 1 ATOM 5284 C CB . PRO C 3 305 ? 5.042 1.055 -76.435 1.00 114.00 ? 283 PRO F CB 1 ATOM 5285 C CG . PRO C 3 305 ? 5.897 0.361 -75.441 1.00 118.32 ? 283 PRO F CG 1 ATOM 5286 C CD . PRO C 3 305 ? 5.353 -1.032 -75.331 1.00 113.81 ? 283 PRO F CD 1 ATOM 5287 N N . GLU C 3 306 ? 5.191 0.855 -79.665 1.00 114.59 ? 284 GLU F N 1 ATOM 5288 C CA . GLU C 3 306 ? 5.879 1.048 -80.948 1.00 114.77 ? 284 GLU F CA 1 ATOM 5289 C C . GLU C 3 306 ? 7.369 1.383 -80.796 1.00 119.68 ? 284 GLU F C 1 ATOM 5290 O O . GLU C 3 306 ? 8.185 0.846 -81.547 1.00 119.17 ? 284 GLU F O 1 ATOM 5291 C CB . GLU C 3 306 ? 5.162 2.124 -81.784 1.00 116.19 ? 284 GLU F CB 1 ATOM 5292 C CG . GLU C 3 306 ? 5.411 2.022 -83.280 1.00 126.44 ? 284 GLU F CG 1 ATOM 5293 C CD . GLU C 3 306 ? 6.368 3.051 -83.849 1.00 146.08 ? 284 GLU F CD 1 ATOM 5294 O OE1 . GLU C 3 306 ? 7.594 2.904 -83.645 1.00 139.55 ? 284 GLU F OE1 1 ATOM 5295 O OE2 . GLU C 3 306 ? 5.893 3.986 -84.533 1.00 140.12 ? 284 GLU F OE2 1 ATOM 5296 N N . ALA C 3 307 ? 7.714 2.252 -79.820 1.00 117.15 ? 285 ALA F N 1 ATOM 5297 C CA . ALA C 3 307 ? 9.080 2.705 -79.525 1.00 117.36 ? 285 ALA F CA 1 ATOM 5298 C C . ALA C 3 307 ? 10.069 1.581 -79.182 1.00 122.24 ? 285 ALA F C 1 ATOM 5299 O O . ALA C 3 307 ? 11.259 1.715 -79.474 1.00 121.72 ? 285 ALA F O 1 ATOM 5300 C CB . ALA C 3 307 ? 9.057 3.740 -78.411 1.00 118.15 ? 285 ALA F CB 1 ATOM 5301 N N . ALA C 3 308 ? 9.580 0.483 -78.569 1.00 119.79 ? 286 ALA F N 1 ATOM 5302 C CA . ALA C 3 308 ? 10.393 -0.676 -78.186 1.00 120.07 ? 286 ALA F CA 1 ATOM 5303 C C . ALA C 3 308 ? 10.896 -1.472 -79.398 1.00 125.02 ? 286 ALA F C 1 ATOM 5304 O O . ALA C 3 308 ? 11.969 -2.075 -79.327 1.00 124.53 ? 286 ALA F O 1 ATOM 5305 C CB . ALA C 3 308 ? 9.605 -1.580 -77.253 1.00 120.91 ? 286 ALA F CB 1 ATOM 5306 N N . PHE C 3 309 ? 10.126 -1.466 -80.505 1.00 122.53 ? 287 PHE F N 1 ATOM 5307 C CA . PHE C 3 309 ? 10.465 -2.170 -81.744 1.00 122.78 ? 287 PHE F CA 1 ATOM 5308 C C . PHE C 3 309 ? 11.378 -1.349 -82.653 1.00 127.71 ? 287 PHE F C 1 ATOM 5309 O O . PHE C 3 309 ? 11.307 -0.118 -82.657 1.00 127.25 ? 287 PHE F O 1 ATOM 5310 C CB . PHE C 3 309 ? 9.194 -2.576 -82.508 1.00 124.59 ? 287 PHE F CB 1 ATOM 5311 C CG . PHE C 3 309 ? 8.332 -3.602 -81.814 1.00 126.21 ? 287 PHE F CG 1 ATOM 5312 C CD1 . PHE C 3 309 ? 8.629 -4.958 -81.901 1.00 129.31 ? 287 PHE F CD1 1 ATOM 5313 C CD2 . PHE C 3 309 ? 7.202 -3.218 -81.104 1.00 128.43 ? 287 PHE F CD2 1 ATOM 5314 C CE1 . PHE C 3 309 ? 7.825 -5.909 -81.266 1.00 130.28 ? 287 PHE F CE1 1 ATOM 5315 C CE2 . PHE C 3 309 ? 6.393 -4.170 -80.477 1.00 131.32 ? 287 PHE F CE2 1 ATOM 5316 C CZ . PHE C 3 309 ? 6.711 -5.509 -80.559 1.00 129.41 ? 287 PHE F CZ 1 ATOM 5317 N N . THR C 3 310 ? 12.221 -2.038 -83.436 1.00 125.17 ? 288 THR F N 1 ATOM 5318 C CA . THR C 3 310 ? 13.151 -1.408 -84.375 1.00 125.40 ? 288 THR F CA 1 ATOM 5319 C C . THR C 3 310 ? 12.902 -1.901 -85.800 1.00 130.23 ? 288 THR F C 1 ATOM 5320 O O . THR C 3 310 ? 12.781 -3.110 -86.017 1.00 129.78 ? 288 THR F O 1 ATOM 5321 C CB . THR C 3 310 ? 14.612 -1.617 -83.935 1.00 133.64 ? 288 THR F CB 1 ATOM 5322 O OG1 . THR C 3 310 ? 14.833 -2.999 -83.644 1.00 133.29 ? 288 THR F OG1 1 ATOM 5323 C CG2 . THR C 3 310 ? 14.999 -0.754 -82.738 1.00 132.27 ? 288 THR F CG2 1 ATOM 5324 N N . ARG C 3 311 ? 12.814 -0.962 -86.765 1.00 127.58 ? 289 ARG F N 1 ATOM 5325 C CA . ARG C 3 311 ? 12.603 -1.260 -88.187 1.00 127.79 ? 289 ARG F CA 1 ATOM 5326 C C . ARG C 3 311 ? 13.817 -1.979 -88.776 1.00 132.61 ? 289 ARG F C 1 ATOM 5327 O O . ARG C 3 311 ? 14.933 -1.765 -88.304 1.00 132.19 ? 289 ARG F O 1 ATOM 5328 C CB . ARG C 3 311 ? 12.310 0.024 -88.978 1.00 128.20 ? 289 ARG F CB 1 ATOM 5329 C CG . ARG C 3 311 ? 10.865 0.488 -88.868 1.00 138.93 ? 289 ARG F CG 1 ATOM 5330 C CD . ARG C 3 311 ? 10.598 1.720 -89.710 1.00 149.29 ? 289 ARG F CD 1 ATOM 5331 N NE . ARG C 3 311 ? 9.168 2.027 -89.785 1.00 158.31 ? 289 ARG F NE 1 ATOM 5332 C CZ . ARG C 3 311 ? 8.527 2.845 -88.954 1.00 172.67 ? 289 ARG F CZ 1 ATOM 5333 N NH1 . ARG C 3 311 ? 9.181 3.451 -87.971 1.00 160.03 ? 289 ARG F NH1 1 ATOM 5334 N NH2 . ARG C 3 311 ? 7.227 3.063 -89.101 1.00 159.59 ? 289 ARG F NH2 1 ATOM 5335 N N . VAL C 3 312 ? 13.595 -2.830 -89.800 1.00 129.97 ? 290 VAL F N 1 ATOM 5336 C CA . VAL C 3 312 ? 14.638 -3.616 -90.484 1.00 130.23 ? 290 VAL F CA 1 ATOM 5337 C C . VAL C 3 312 ? 15.798 -2.776 -91.042 1.00 135.06 ? 290 VAL F C 1 ATOM 5338 O O . VAL C 3 312 ? 16.943 -3.232 -91.026 1.00 134.66 ? 290 VAL F O 1 ATOM 5339 C CB . VAL C 3 312 ? 14.085 -4.631 -91.523 1.00 134.17 ? 290 VAL F CB 1 ATOM 5340 C CG1 . VAL C 3 312 ? 13.343 -5.775 -90.838 1.00 133.92 ? 290 VAL F CG1 1 ATOM 5341 C CG2 . VAL C 3 312 ? 13.204 -3.951 -92.571 1.00 133.98 ? 290 VAL F CG2 1 ATOM 5342 N N . VAL C 3 313 ? 15.497 -1.551 -91.515 1.00 132.36 ? 291 VAL F N 1 ATOM 5343 C CA . VAL C 3 313 ? 16.477 -0.597 -92.048 1.00 132.60 ? 291 VAL F CA 1 ATOM 5344 C C . VAL C 3 313 ? 17.295 -0.019 -90.871 1.00 137.29 ? 291 VAL F C 1 ATOM 5345 O O . VAL C 3 313 ? 18.510 0.152 -90.993 1.00 136.90 ? 291 VAL F O 1 ATOM 5346 C CB . VAL C 3 313 ? 15.799 0.518 -92.904 1.00 136.53 ? 291 VAL F CB 1 ATOM 5347 C CG1 . VAL C 3 313 ? 16.834 1.397 -93.604 1.00 136.45 ? 291 VAL F CG1 1 ATOM 5348 C CG2 . VAL C 3 313 ? 14.828 -0.073 -93.927 1.00 136.36 ? 291 VAL F CG2 1 ATOM 5349 N N . ASP C 3 314 ? 16.623 0.244 -89.729 1.00 134.49 ? 292 ASP F N 1 ATOM 5350 C CA . ASP C 3 314 ? 17.215 0.793 -88.503 1.00 134.65 ? 292 ASP F CA 1 ATOM 5351 C C . ASP C 3 314 ? 17.967 -0.245 -87.644 1.00 139.38 ? 292 ASP F C 1 ATOM 5352 O O . ASP C 3 314 ? 18.824 0.148 -86.851 1.00 138.94 ? 292 ASP F O 1 ATOM 5353 C CB . ASP C 3 314 ? 16.135 1.487 -87.648 1.00 136.39 ? 292 ASP F CB 1 ATOM 5354 C CG . ASP C 3 314 ? 15.526 2.733 -88.263 1.00 146.11 ? 292 ASP F CG 1 ATOM 5355 O OD1 . ASP C 3 314 ? 16.261 3.732 -88.435 1.00 146.58 ? 292 ASP F OD1 1 ATOM 5356 O OD2 . ASP C 3 314 ? 14.302 2.733 -88.513 1.00 151.83 ? 292 ASP F OD2 1 ATOM 5357 N N . ALA C 3 315 ? 17.621 -1.547 -87.767 1.00 136.67 ? 293 ALA F N 1 ATOM 5358 C CA . ALA C 3 315 ? 18.205 -2.656 -86.994 1.00 136.88 ? 293 ALA F CA 1 ATOM 5359 C C . ALA C 3 315 ? 19.438 -3.293 -87.674 1.00 141.71 ? 293 ALA F C 1 ATOM 5360 O O . ALA C 3 315 ? 19.515 -3.239 -88.905 1.00 141.29 ? 293 ALA F O 1 ATOM 5361 C CB . ALA C 3 315 ? 17.143 -3.719 -86.740 1.00 137.58 ? 293 ALA F CB 1 ATOM 5362 N N . PRO C 3 316 ? 20.397 -3.917 -86.924 1.00 143.32 ? 294 PRO F N 1 ATOM 5363 C CA . PRO C 3 316 ? 21.569 -4.523 -87.591 1.00 143.48 ? 294 PRO F CA 1 ATOM 5364 C C . PRO C 3 316 ? 21.239 -5.733 -88.463 1.00 147.71 ? 294 PRO F C 1 ATOM 5365 O O . PRO C 3 316 ? 20.378 -6.541 -88.106 1.00 146.63 ? 294 PRO F O 1 ATOM 5366 C CB . PRO C 3 316 ? 22.489 -4.923 -86.428 1.00 144.80 ? 294 PRO F CB 1 ATOM 5367 C CG . PRO C 3 316 ? 21.959 -4.214 -85.226 1.00 149.15 ? 294 PRO F CG 1 ATOM 5368 C CD . PRO C 3 316 ? 20.489 -4.075 -85.457 1.00 144.46 ? 294 PRO F CD 1 ATOM 5369 N N . SER C 3 317 ? 21.938 -5.847 -89.608 1.00 145.39 ? 295 SER F N 1 ATOM 5370 C CA . SER C 3 317 ? 21.776 -6.937 -90.571 1.00 145.32 ? 295 SER F CA 1 ATOM 5371 C C . SER C 3 317 ? 22.795 -8.042 -90.291 1.00 149.42 ? 295 SER F C 1 ATOM 5372 O O . SER C 3 317 ? 23.971 -7.747 -90.062 1.00 149.10 ? 295 SER F O 1 ATOM 5373 C CB . SER C 3 317 ? 21.929 -6.416 -91.997 1.00 149.70 ? 295 SER F CB 1 ATOM 5374 O OG . SER C 3 317 ? 21.539 -7.394 -92.946 1.00 158.44 ? 295 SER F OG 1 ATOM 5375 N N . LEU C 3 318 ? 22.340 -9.310 -90.301 1.00 146.08 ? 296 LEU F N 1 ATOM 5376 C CA . LEU C 3 318 ? 23.184 -10.476 -90.029 1.00 145.65 ? 296 LEU F CA 1 ATOM 5377 C C . LEU C 3 318 ? 23.479 -11.290 -91.289 1.00 150.21 ? 296 LEU F C 1 ATOM 5378 O O . LEU C 3 318 ? 22.555 -11.728 -91.978 1.00 149.80 ? 296 LEU F O 1 ATOM 5379 C CB . LEU C 3 318 ? 22.565 -11.368 -88.924 1.00 145.11 ? 296 LEU F CB 1 ATOM 5380 C CG . LEU C 3 318 ? 22.840 -11.037 -87.434 1.00 149.66 ? 296 LEU F CG 1 ATOM 5381 C CD1 . LEU C 3 318 ? 24.304 -11.204 -87.069 1.00 149.82 ? 296 LEU F CD1 1 ATOM 5382 C CD2 . LEU C 3 318 ? 22.303 -9.668 -87.023 1.00 152.52 ? 296 LEU F CD2 1 ATOM 5383 N N . THR C 3 319 ? 24.779 -11.467 -91.590 1.00 147.38 ? 297 THR F N 1 ATOM 5384 C CA . THR C 3 319 ? 25.301 -12.206 -92.749 1.00 147.49 ? 297 THR F CA 1 ATOM 5385 C C . THR C 3 319 ? 26.486 -13.098 -92.335 1.00 151.55 ? 297 THR F C 1 ATOM 5386 O O . THR C 3 319 ? 27.025 -12.921 -91.239 1.00 150.89 ? 297 THR F O 1 ATOM 5387 C CB . THR C 3 319 ? 25.704 -11.236 -93.886 1.00 156.23 ? 297 THR F CB 1 ATOM 5388 O OG1 . THR C 3 319 ? 26.483 -10.163 -93.354 1.00 156.11 ? 297 THR F OG1 1 ATOM 5389 C CG2 . THR C 3 319 ? 24.505 -10.682 -94.651 1.00 155.40 ? 297 THR F CG2 1 ATOM 5390 N N . ASP C 3 320 ? 26.886 -14.051 -93.216 1.00 148.55 ? 298 ASP F N 1 ATOM 5391 C CA . ASP C 3 320 ? 28.005 -14.993 -93.034 1.00 148.18 ? 298 ASP F CA 1 ATOM 5392 C C . ASP C 3 320 ? 27.986 -15.716 -91.668 1.00 152.23 ? 298 ASP F C 1 ATOM 5393 O O . ASP C 3 320 ? 29.007 -15.768 -90.975 1.00 151.60 ? 298 ASP F O 1 ATOM 5394 C CB . ASP C 3 320 ? 29.360 -14.296 -93.297 1.00 150.21 ? 298 ASP F CB 1 ATOM 5395 C CG . ASP C 3 320 ? 29.544 -13.795 -94.714 1.00 160.52 ? 298 ASP F CG 1 ATOM 5396 O OD1 . ASP C 3 320 ? 29.825 -14.624 -95.602 1.00 160.78 ? 298 ASP F OD1 1 ATOM 5397 O OD2 . ASP C 3 320 ? 29.463 -12.566 -94.924 1.00 167.00 ? 298 ASP F OD2 1 ATOM 5398 N N . MET C 3 321 ? 26.817 -16.263 -91.287 1.00 149.23 ? 299 MET F N 1 ATOM 5399 C CA . MET C 3 321 ? 26.639 -16.952 -90.006 1.00 148.97 ? 299 MET F CA 1 ATOM 5400 C C . MET C 3 321 ? 26.943 -18.444 -90.046 1.00 153.22 ? 299 MET F C 1 ATOM 5401 O O . MET C 3 321 ? 26.593 -19.127 -91.010 1.00 152.80 ? 299 MET F O 1 ATOM 5402 C CB . MET C 3 321 ? 25.242 -16.706 -89.421 1.00 151.37 ? 299 MET F CB 1 ATOM 5403 C CG . MET C 3 321 ? 25.036 -15.293 -88.909 1.00 155.25 ? 299 MET F CG 1 ATOM 5404 S SD . MET C 3 321 ? 23.852 -15.182 -87.544 1.00 159.22 ? 299 MET F SD 1 ATOM 5405 C CE . MET C 3 321 ? 22.358 -15.703 -88.355 1.00 156.00 ? 299 MET F CE 1 ATOM 5406 N N . SER C 3 322 ? 27.577 -18.941 -88.972 1.00 150.17 ? 300 SER F N 1 ATOM 5407 C CA . SER C 3 322 ? 27.951 -20.342 -88.775 1.00 150.02 ? 300 SER F CA 1 ATOM 5408 C C . SER C 3 322 ? 27.742 -20.733 -87.310 1.00 154.52 ? 300 SER F C 1 ATOM 5409 O O . SER C 3 322 ? 27.898 -19.885 -86.430 1.00 154.14 ? 300 SER F O 1 ATOM 5410 C CB . SER C 3 322 ? 29.403 -20.571 -89.184 1.00 153.47 ? 300 SER F CB 1 ATOM 5411 O OG . SER C 3 322 ? 30.293 -19.729 -88.468 1.00 162.37 ? 300 SER F OG 1 ATOM 5412 N N . CYS C 3 323 ? 27.386 -22.008 -87.049 1.00 151.62 ? 301 CYS F N 1 ATOM 5413 C CA . CYS C 3 323 ? 27.139 -22.507 -85.692 1.00 151.75 ? 301 CYS F CA 1 ATOM 5414 C C . CYS C 3 323 ? 27.881 -23.804 -85.378 1.00 155.72 ? 301 CYS F C 1 ATOM 5415 O O . CYS C 3 323 ? 27.849 -24.747 -86.172 1.00 155.21 ? 301 CYS F O 1 ATOM 5416 C CB . CYS C 3 323 ? 25.642 -22.636 -85.422 1.00 152.29 ? 301 CYS F CB 1 ATOM 5417 S SG . CYS C 3 323 ? 25.230 -23.326 -83.796 1.00 156.33 ? 301 CYS F SG 1 ATOM 5418 N N . GLU C 3 324 ? 28.517 -23.851 -84.193 1.00 152.55 ? 302 GLU F N 1 ATOM 5419 C CA . GLU C 3 324 ? 29.263 -25.009 -83.690 1.00 152.52 ? 302 GLU F CA 1 ATOM 5420 C C . GLU C 3 324 ? 28.919 -25.322 -82.232 1.00 156.72 ? 302 GLU F C 1 ATOM 5421 O O . GLU C 3 324 ? 28.752 -24.403 -81.426 1.00 156.32 ? 302 GLU F O 1 ATOM 5422 C CB . GLU C 3 324 ? 30.785 -24.861 -83.914 1.00 153.83 ? 302 GLU F CB 1 ATOM 5423 C CG . GLU C 3 324 ? 31.434 -23.627 -83.298 1.00 164.58 ? 302 GLU F CG 1 ATOM 5424 C CD . GLU C 3 324 ? 32.712 -23.147 -83.964 1.00 184.61 ? 302 GLU F CD 1 ATOM 5425 O OE1 . GLU C 3 324 ? 33.465 -23.989 -84.507 1.00 178.52 ? 302 GLU F OE1 1 ATOM 5426 O OE2 . GLU C 3 324 ? 32.990 -21.928 -83.891 1.00 178.70 ? 302 GLU F OE2 1 ATOM 5427 N N . VAL C 3 325 ? 28.785 -26.621 -81.908 1.00 153.58 ? 303 VAL F N 1 ATOM 5428 C CA . VAL C 3 325 ? 28.438 -27.099 -80.565 1.00 153.80 ? 303 VAL F CA 1 ATOM 5429 C C . VAL C 3 325 ? 29.642 -27.841 -79.928 1.00 158.04 ? 303 VAL F C 1 ATOM 5430 O O . VAL C 3 325 ? 29.849 -29.027 -80.210 1.00 157.69 ? 303 VAL F O 1 ATOM 5431 C CB . VAL C 3 325 ? 27.107 -27.919 -80.551 1.00 157.90 ? 303 VAL F CB 1 ATOM 5432 C CG1 . VAL C 3 325 ? 26.777 -28.452 -79.155 1.00 158.13 ? 303 VAL F CG1 1 ATOM 5433 C CG2 . VAL C 3 325 ? 25.941 -27.092 -81.092 1.00 157.51 ? 303 VAL F CG2 1 ATOM 5434 N N . PRO C 3 326 ? 30.456 -27.154 -79.086 1.00 154.90 ? 304 PRO F N 1 ATOM 5435 C CA . PRO C 3 326 ? 31.609 -27.834 -78.464 1.00 155.12 ? 304 PRO F CA 1 ATOM 5436 C C . PRO C 3 326 ? 31.246 -28.838 -77.372 1.00 159.60 ? 304 PRO F C 1 ATOM 5437 O O . PRO C 3 326 ? 31.964 -29.824 -77.197 1.00 159.43 ? 304 PRO F O 1 ATOM 5438 C CB . PRO C 3 326 ? 32.436 -26.686 -77.882 1.00 157.03 ? 304 PRO F CB 1 ATOM 5439 C CG . PRO C 3 326 ? 31.490 -25.580 -77.686 1.00 161.33 ? 304 PRO F CG 1 ATOM 5440 C CD . PRO C 3 326 ? 30.374 -25.736 -78.674 1.00 156.44 ? 304 PRO F CD 1 ATOM 5441 N N . ALA C 3 327 ? 30.159 -28.573 -76.619 1.00 156.44 ? 305 ALA F N 1 ATOM 5442 C CA . ALA C 3 327 ? 29.720 -29.422 -75.513 1.00 156.88 ? 305 ALA F CA 1 ATOM 5443 C C . ALA C 3 327 ? 28.203 -29.485 -75.380 1.00 160.74 ? 305 ALA F C 1 ATOM 5444 O O . ALA C 3 327 ? 27.532 -28.451 -75.452 1.00 159.90 ? 305 ALA F O 1 ATOM 5445 C CB . ALA C 3 327 ? 30.334 -28.932 -74.209 1.00 158.13 ? 305 ALA F CB 1 ATOM 5446 N N . CYS C 3 328 ? 27.668 -30.707 -75.173 1.00 157.83 ? 306 CYS F N 1 ATOM 5447 C CA . CYS C 3 328 ? 26.239 -30.949 -74.966 1.00 157.79 ? 306 CYS F CA 1 ATOM 5448 C C . CYS C 3 328 ? 25.928 -32.184 -74.133 1.00 162.46 ? 306 CYS F C 1 ATOM 5449 O O . CYS C 3 328 ? 26.525 -33.247 -74.323 1.00 162.35 ? 306 CYS F O 1 ATOM 5450 C CB . CYS C 3 328 ? 25.448 -30.945 -76.271 1.00 157.68 ? 306 CYS F CB 1 ATOM 5451 S SG . CYS C 3 328 ? 23.654 -30.825 -76.033 1.00 161.59 ? 306 CYS F SG 1 ATOM 5452 N N . THR C 3 329 ? 24.953 -32.026 -73.229 1.00 159.36 ? 307 THR F N 1 ATOM 5453 C CA . THR C 3 329 ? 24.421 -33.057 -72.345 1.00 159.99 ? 307 THR F CA 1 ATOM 5454 C C . THR C 3 329 ? 22.899 -32.899 -72.352 1.00 163.82 ? 307 THR F C 1 ATOM 5455 O O . THR C 3 329 ? 22.398 -31.822 -72.012 1.00 162.91 ? 307 THR F O 1 ATOM 5456 C CB . THR C 3 329 ? 25.046 -32.946 -70.939 1.00 168.50 ? 307 THR F CB 1 ATOM 5457 O OG1 . THR C 3 329 ? 26.458 -33.131 -71.043 1.00 168.19 ? 307 THR F OG1 1 ATOM 5458 C CG2 . THR C 3 329 ? 24.469 -33.960 -69.951 1.00 167.97 ? 307 THR F CG2 1 ATOM 5459 N N . HIS C 3 330 ? 22.170 -33.950 -72.775 1.00 160.92 ? 308 HIS F N 1 ATOM 5460 C CA . HIS C 3 330 ? 20.711 -33.895 -72.814 1.00 160.77 ? 308 HIS F CA 1 ATOM 5461 C C . HIS C 3 330 ? 20.088 -34.106 -71.431 1.00 165.21 ? 308 HIS F C 1 ATOM 5462 O O . HIS C 3 330 ? 20.051 -35.226 -70.916 1.00 165.62 ? 308 HIS F O 1 ATOM 5463 C CB . HIS C 3 330 ? 20.100 -34.780 -73.922 1.00 161.79 ? 308 HIS F CB 1 ATOM 5464 C CG . HIS C 3 330 ? 20.410 -36.240 -73.807 1.00 166.09 ? 308 HIS F CG 1 ATOM 5465 N ND1 . HIS C 3 330 ? 19.669 -37.071 -72.987 1.00 168.69 ? 308 HIS F ND1 1 ATOM 5466 C CD2 . HIS C 3 330 ? 21.346 -36.979 -74.447 1.00 168.01 ? 308 HIS F CD2 1 ATOM 5467 C CE1 . HIS C 3 330 ? 20.189 -38.278 -73.135 1.00 168.84 ? 308 HIS F CE1 1 ATOM 5468 N NE2 . HIS C 3 330 ? 21.201 -38.272 -74.003 1.00 168.78 ? 308 HIS F NE2 1 ATOM 5469 N N . SER C 3 331 ? 19.659 -32.994 -70.807 1.00 161.34 ? 309 SER F N 1 ATOM 5470 C CA . SER C 3 331 ? 19.063 -32.961 -69.469 1.00 161.54 ? 309 SER F CA 1 ATOM 5471 C C . SER C 3 331 ? 17.973 -31.880 -69.358 1.00 164.75 ? 309 SER F C 1 ATOM 5472 O O . SER C 3 331 ? 17.713 -31.167 -70.332 1.00 163.62 ? 309 SER F O 1 ATOM 5473 C CB . SER C 3 331 ? 20.147 -32.743 -68.415 1.00 165.37 ? 309 SER F CB 1 ATOM 5474 O OG . SER C 3 331 ? 20.834 -31.518 -68.618 1.00 173.36 ? 309 SER F OG 1 ATOM 5475 N N . SER C 3 332 ? 17.337 -31.769 -68.172 1.00 161.59 ? 310 SER F N 1 ATOM 5476 C CA . SER C 3 332 ? 16.287 -30.788 -67.880 1.00 160.82 ? 310 SER F CA 1 ATOM 5477 C C . SER C 3 332 ? 16.831 -29.354 -67.854 1.00 163.94 ? 310 SER F C 1 ATOM 5478 O O . SER C 3 332 ? 16.109 -28.424 -68.219 1.00 162.77 ? 310 SER F O 1 ATOM 5479 C CB . SER C 3 332 ? 15.604 -31.115 -66.556 1.00 164.88 ? 310 SER F CB 1 ATOM 5480 O OG . SER C 3 332 ? 14.997 -32.396 -66.594 1.00 174.36 ? 310 SER F OG 1 ATOM 5481 N N . ASP C 3 333 ? 18.100 -29.182 -67.427 1.00 160.79 ? 311 ASP F N 1 ATOM 5482 C CA . ASP C 3 333 ? 18.782 -27.887 -67.353 1.00 160.16 ? 311 ASP F CA 1 ATOM 5483 C C . ASP C 3 333 ? 19.535 -27.569 -68.661 1.00 163.59 ? 311 ASP F C 1 ATOM 5484 O O . ASP C 3 333 ? 19.510 -28.376 -69.595 1.00 163.19 ? 311 ASP F O 1 ATOM 5485 C CB . ASP C 3 333 ? 19.727 -27.845 -66.133 1.00 162.59 ? 311 ASP F CB 1 ATOM 5486 C CG . ASP C 3 333 ? 20.941 -28.752 -66.235 1.00 172.89 ? 311 ASP F CG 1 ATOM 5487 O OD1 . ASP C 3 333 ? 20.755 -29.983 -66.359 1.00 173.80 ? 311 ASP F OD1 1 ATOM 5488 O OD2 . ASP C 3 333 ? 22.075 -28.233 -66.164 1.00 178.73 ? 311 ASP F OD2 1 ATOM 5489 N N . PHE C 3 334 ? 20.197 -26.396 -68.725 1.00 159.81 ? 312 PHE F N 1 ATOM 5490 C CA . PHE C 3 334 ? 20.956 -25.961 -69.898 1.00 159.25 ? 312 PHE F CA 1 ATOM 5491 C C . PHE C 3 334 ? 22.331 -26.645 -69.964 1.00 163.45 ? 312 PHE F C 1 ATOM 5492 O O . PHE C 3 334 ? 23.351 -26.058 -69.588 1.00 163.14 ? 312 PHE F O 1 ATOM 5493 C CB . PHE C 3 334 ? 21.047 -24.421 -69.968 1.00 160.60 ? 312 PHE F CB 1 ATOM 5494 C CG . PHE C 3 334 ? 19.705 -23.732 -70.050 1.00 161.68 ? 312 PHE F CG 1 ATOM 5495 C CD1 . PHE C 3 334 ? 19.042 -23.605 -71.265 1.00 164.33 ? 312 PHE F CD1 1 ATOM 5496 C CD2 . PHE C 3 334 ? 19.102 -23.211 -68.911 1.00 163.86 ? 312 PHE F CD2 1 ATOM 5497 C CE1 . PHE C 3 334 ? 17.789 -22.988 -71.336 1.00 164.85 ? 312 PHE F CE1 1 ATOM 5498 C CE2 . PHE C 3 334 ? 17.855 -22.582 -68.985 1.00 166.19 ? 312 PHE F CE2 1 ATOM 5499 C CZ . PHE C 3 334 ? 17.209 -22.472 -70.198 1.00 163.87 ? 312 PHE F CZ 1 ATOM 5500 N N . GLY C 3 335 ? 22.324 -27.895 -70.426 1.00 160.22 ? 313 GLY F N 1 ATOM 5501 C CA . GLY C 3 335 ? 23.515 -28.728 -70.562 1.00 160.44 ? 313 GLY F CA 1 ATOM 5502 C C . GLY C 3 335 ? 24.247 -28.591 -71.883 1.00 163.75 ? 313 GLY F C 1 ATOM 5503 O O . GLY C 3 335 ? 25.292 -29.219 -72.075 1.00 163.55 ? 313 GLY F O 1 ATOM 5504 N N . GLY C 3 336 ? 23.702 -27.776 -72.786 1.00 159.62 ? 314 GLY F N 1 ATOM 5505 C CA . GLY C 3 336 ? 24.274 -27.527 -74.105 1.00 158.99 ? 314 GLY F CA 1 ATOM 5506 C C . GLY C 3 336 ? 24.909 -26.159 -74.250 1.00 162.35 ? 314 GLY F C 1 ATOM 5507 O O . GLY C 3 336 ? 24.401 -25.174 -73.706 1.00 161.76 ? 314 GLY F O 1 ATOM 5508 N N . VAL C 3 337 ? 26.034 -26.098 -74.988 1.00 158.70 ? 315 VAL F N 1 ATOM 5509 C CA . VAL C 3 337 ? 26.801 -24.875 -75.266 1.00 158.26 ? 315 VAL F CA 1 ATOM 5510 C C . VAL C 3 337 ? 26.950 -24.739 -76.792 1.00 161.49 ? 315 VAL F C 1 ATOM 5511 O O . VAL C 3 337 ? 27.329 -25.709 -77.447 1.00 161.03 ? 315 VAL F O 1 ATOM 5512 C CB . VAL C 3 337 ? 28.184 -24.882 -74.539 1.00 162.63 ? 315 VAL F CB 1 ATOM 5513 C CG1 . VAL C 3 337 ? 29.045 -23.683 -74.940 1.00 162.34 ? 315 VAL F CG1 1 ATOM 5514 C CG2 . VAL C 3 337 ? 28.021 -24.933 -73.021 1.00 162.99 ? 315 VAL F CG2 1 ATOM 5515 N N . ALA C 3 338 ? 26.649 -23.550 -77.354 1.00 157.60 ? 316 ALA F N 1 ATOM 5516 C CA . ALA C 3 338 ? 26.768 -23.299 -78.795 1.00 157.03 ? 316 ALA F CA 1 ATOM 5517 C C . ALA C 3 338 ? 27.446 -21.961 -79.104 1.00 160.56 ? 316 ALA F C 1 ATOM 5518 O O . ALA C 3 338 ? 27.097 -20.939 -78.509 1.00 160.17 ? 316 ALA F O 1 ATOM 5519 C CB . ALA C 3 338 ? 25.402 -23.372 -79.464 1.00 157.56 ? 316 ALA F CB 1 ATOM 5520 N N . ILE C 3 339 ? 28.425 -21.979 -80.030 1.00 156.85 ? 317 ILE F N 1 ATOM 5521 C CA . ILE C 3 339 ? 29.170 -20.791 -80.459 1.00 156.61 ? 317 ILE F CA 1 ATOM 5522 C C . ILE C 3 339 ? 28.730 -20.400 -81.873 1.00 159.87 ? 317 ILE F C 1 ATOM 5523 O O . ILE C 3 339 ? 28.884 -21.190 -82.808 1.00 159.19 ? 317 ILE F O 1 ATOM 5524 C CB . ILE C 3 339 ? 30.715 -20.980 -80.327 1.00 159.94 ? 317 ILE F CB 1 ATOM 5525 C CG1 . ILE C 3 339 ? 31.123 -21.243 -78.856 1.00 160.81 ? 317 ILE F CG1 1 ATOM 5526 C CG2 . ILE C 3 339 ? 31.480 -19.770 -80.902 1.00 160.81 ? 317 ILE F CG2 1 ATOM 5527 C CD1 . ILE C 3 339 ? 32.441 -22.016 -78.666 1.00 168.36 ? 317 ILE F CD1 1 ATOM 5528 N N . ILE C 3 340 ? 28.171 -19.186 -82.018 1.00 156.31 ? 318 ILE F N 1 ATOM 5529 C CA . ILE C 3 340 ? 27.692 -18.666 -83.300 1.00 155.93 ? 318 ILE F CA 1 ATOM 5530 C C . ILE C 3 340 ? 28.541 -17.473 -83.768 1.00 159.68 ? 318 ILE F C 1 ATOM 5531 O O . ILE C 3 340 ? 28.546 -16.420 -83.124 1.00 159.48 ? 318 ILE F O 1 ATOM 5532 C CB . ILE C 3 340 ? 26.157 -18.368 -83.284 1.00 159.02 ? 318 ILE F CB 1 ATOM 5533 C CG1 . ILE C 3 340 ? 25.338 -19.633 -82.922 1.00 159.33 ? 318 ILE F CG1 1 ATOM 5534 C CG2 . ILE C 3 340 ? 25.682 -17.771 -84.624 1.00 159.81 ? 318 ILE F CG2 1 ATOM 5535 C CD1 . ILE C 3 340 ? 24.058 -19.379 -82.123 1.00 166.86 ? 318 ILE F CD1 1 ATOM 5536 N N . LYS C 3 341 ? 29.263 -17.655 -84.889 1.00 155.92 ? 319 LYS F N 1 ATOM 5537 C CA . LYS C 3 341 ? 30.095 -16.617 -85.502 1.00 155.89 ? 319 LYS F CA 1 ATOM 5538 C C . LYS C 3 341 ? 29.232 -15.794 -86.451 1.00 159.54 ? 319 LYS F C 1 ATOM 5539 O O . LYS C 3 341 ? 28.371 -16.357 -87.131 1.00 158.88 ? 319 LYS F O 1 ATOM 5540 C CB . LYS C 3 341 ? 31.293 -17.233 -86.240 1.00 158.29 ? 319 LYS F CB 1 ATOM 5541 C CG . LYS C 3 341 ? 32.394 -17.706 -85.301 1.00 172.86 ? 319 LYS F CG 1 ATOM 5542 C CD . LYS C 3 341 ? 33.547 -18.346 -86.052 1.00 182.90 ? 319 LYS F CD 1 ATOM 5543 C CE . LYS C 3 341 ? 34.595 -18.868 -85.101 1.00 194.02 ? 319 LYS F CE 1 ATOM 5544 N NZ . LYS C 3 341 ? 35.715 -19.526 -85.822 1.00 202.91 ? 319 LYS F NZ 1 ATOM 5545 N N . TYR C 3 342 ? 29.441 -14.465 -86.483 1.00 156.34 ? 320 TYR F N 1 ATOM 5546 C CA . TYR C 3 342 ? 28.630 -13.565 -87.306 1.00 156.32 ? 320 TYR F CA 1 ATOM 5547 C C . TYR C 3 342 ? 29.387 -12.387 -87.932 1.00 160.33 ? 320 TYR F C 1 ATOM 5548 O O . TYR C 3 342 ? 30.506 -12.068 -87.524 1.00 160.08 ? 320 TYR F O 1 ATOM 5549 C CB . TYR C 3 342 ? 27.420 -13.056 -86.489 1.00 157.59 ? 320 TYR F CB 1 ATOM 5550 C CG . TYR C 3 342 ? 27.782 -12.181 -85.304 1.00 159.68 ? 320 TYR F CG 1 ATOM 5551 C CD1 . TYR C 3 342 ? 27.860 -10.796 -85.432 1.00 162.25 ? 320 TYR F CD1 1 ATOM 5552 C CD2 . TYR C 3 342 ? 28.007 -12.733 -84.046 1.00 160.27 ? 320 TYR F CD2 1 ATOM 5553 C CE1 . TYR C 3 342 ? 28.204 -9.987 -84.349 1.00 163.43 ? 320 TYR F CE1 1 ATOM 5554 C CE2 . TYR C 3 342 ? 28.334 -11.932 -82.951 1.00 161.55 ? 320 TYR F CE2 1 ATOM 5555 C CZ . TYR C 3 342 ? 28.427 -10.559 -83.107 1.00 169.48 ? 320 TYR F CZ 1 ATOM 5556 O OH . TYR C 3 342 ? 28.748 -9.762 -82.034 1.00 170.86 ? 320 TYR F OH 1 ATOM 5557 N N . ALA C 3 343 ? 28.736 -11.727 -88.908 1.00 156.96 ? 321 ALA F N 1 ATOM 5558 C CA . ALA C 3 343 ? 29.210 -10.530 -89.596 1.00 157.33 ? 321 ALA F CA 1 ATOM 5559 C C . ALA C 3 343 ? 28.040 -9.542 -89.621 1.00 161.28 ? 321 ALA F C 1 ATOM 5560 O O . ALA C 3 343 ? 27.072 -9.734 -90.364 1.00 160.75 ? 321 ALA F O 1 ATOM 5561 C CB . ALA C 3 343 ? 29.672 -10.869 -91.008 1.00 158.10 ? 321 ALA F CB 1 ATOM 5562 N N . ALA C 3 344 ? 28.098 -8.529 -88.741 1.00 158.09 ? 322 ALA F N 1 ATOM 5563 C CA . ALA C 3 344 ? 27.051 -7.519 -88.591 1.00 158.24 ? 322 ALA F CA 1 ATOM 5564 C C . ALA C 3 344 ? 27.389 -6.207 -89.291 1.00 162.79 ? 322 ALA F C 1 ATOM 5565 O O . ALA C 3 344 ? 28.548 -5.786 -89.292 1.00 162.74 ? 322 ALA F O 1 ATOM 5566 C CB . ALA C 3 344 ? 26.773 -7.272 -87.119 1.00 158.84 ? 322 ALA F CB 1 ATOM 5567 N N . SER C 3 345 ? 26.367 -5.562 -89.879 1.00 159.66 ? 323 SER F N 1 ATOM 5568 C CA . SER C 3 345 ? 26.502 -4.288 -90.588 1.00 160.45 ? 323 SER F CA 1 ATOM 5569 C C . SER C 3 345 ? 26.735 -3.117 -89.627 1.00 164.78 ? 323 SER F C 1 ATOM 5570 O O . SER C 3 345 ? 27.488 -2.199 -89.959 1.00 165.21 ? 323 SER F O 1 ATOM 5571 C CB . SER C 3 345 ? 25.280 -4.028 -91.463 1.00 164.28 ? 323 SER F CB 1 ATOM 5572 O OG . SER C 3 345 ? 24.085 -4.018 -90.700 1.00 172.63 ? 323 SER F OG 1 ATOM 5573 N N . LYS C 3 346 ? 26.092 -3.154 -88.439 1.00 160.84 ? 324 LYS F N 1 ATOM 5574 C CA . LYS C 3 346 ? 26.199 -2.120 -87.401 1.00 161.13 ? 324 LYS F CA 1 ATOM 5575 C C . LYS C 3 346 ? 26.000 -2.670 -85.977 1.00 164.17 ? 324 LYS F C 1 ATOM 5576 O O . LYS C 3 346 ? 25.611 -3.828 -85.810 1.00 162.83 ? 324 LYS F O 1 ATOM 5577 C CB . LYS C 3 346 ? 25.257 -0.929 -87.690 1.00 164.35 ? 324 LYS F CB 1 ATOM 5578 C CG . LYS C 3 346 ? 23.778 -1.287 -87.819 1.00 178.10 ? 324 LYS F CG 1 ATOM 5579 C CD . LYS C 3 346 ? 22.958 -0.082 -88.254 1.00 188.85 ? 324 LYS F CD 1 ATOM 5580 C CE . LYS C 3 346 ? 21.536 -0.443 -88.605 1.00 199.18 ? 324 LYS F CE 1 ATOM 5581 N NZ . LYS C 3 346 ? 21.428 -1.118 -89.927 1.00 208.23 ? 324 LYS F NZ 1 ATOM 5582 N N . LYS C 3 347 ? 26.283 -1.833 -84.960 1.00 161.19 ? 325 LYS F N 1 ATOM 5583 C CA . LYS C 3 347 ? 26.142 -2.170 -83.542 1.00 160.54 ? 325 LYS F CA 1 ATOM 5584 C C . LYS C 3 347 ? 24.676 -2.016 -83.110 1.00 163.90 ? 325 LYS F C 1 ATOM 5585 O O . LYS C 3 347 ? 23.998 -1.084 -83.551 1.00 163.88 ? 325 LYS F O 1 ATOM 5586 C CB . LYS C 3 347 ? 27.058 -1.267 -82.695 1.00 163.96 ? 325 LYS F CB 1 ATOM 5587 C CG . LYS C 3 347 ? 27.323 -1.777 -81.283 1.00 177.96 ? 325 LYS F CG 1 ATOM 5588 C CD . LYS C 3 347 ? 28.153 -0.788 -80.482 1.00 188.94 ? 325 LYS F CD 1 ATOM 5589 C CE . LYS C 3 347 ? 28.307 -1.214 -79.044 1.00 199.33 ? 325 LYS F CE 1 ATOM 5590 N NZ . LYS C 3 347 ? 29.125 -0.246 -78.269 1.00 209.47 ? 325 LYS F NZ 1 ATOM 5591 N N . GLY C 3 348 ? 24.215 -2.932 -82.257 1.00 159.63 ? 326 GLY F N 1 ATOM 5592 C CA . GLY C 3 348 ? 22.852 -2.948 -81.732 1.00 158.92 ? 326 GLY F CA 1 ATOM 5593 C C . GLY C 3 348 ? 22.468 -4.247 -81.050 1.00 161.76 ? 326 GLY F C 1 ATOM 5594 O O . GLY C 3 348 ? 23.211 -5.230 -81.116 1.00 161.04 ? 326 GLY F O 1 ATOM 5595 N N . LYS C 3 349 ? 21.298 -4.260 -80.385 1.00 157.82 ? 327 LYS F N 1 ATOM 5596 C CA . LYS C 3 349 ? 20.783 -5.438 -79.679 1.00 156.80 ? 327 LYS F CA 1 ATOM 5597 C C . LYS C 3 349 ? 20.028 -6.380 -80.615 1.00 160.06 ? 327 LYS F C 1 ATOM 5598 O O . LYS C 3 349 ? 19.202 -5.926 -81.411 1.00 159.70 ? 327 LYS F O 1 ATOM 5599 C CB . LYS C 3 349 ? 19.892 -5.031 -78.492 1.00 159.10 ? 327 LYS F CB 1 ATOM 5600 C CG . LYS C 3 349 ? 20.662 -4.668 -77.227 1.00 173.96 ? 327 LYS F CG 1 ATOM 5601 C CD . LYS C 3 349 ? 20.858 -3.159 -77.080 1.00 184.84 ? 327 LYS F CD 1 ATOM 5602 C CE . LYS C 3 349 ? 21.537 -2.781 -75.784 1.00 196.17 ? 327 LYS F CE 1 ATOM 5603 N NZ . LYS C 3 349 ? 22.989 -3.107 -75.793 1.00 205.76 ? 327 LYS F NZ 1 ATOM 5604 N N . CYS C 3 350 ? 20.316 -7.691 -80.514 1.00 156.12 ? 328 CYS F N 1 ATOM 5605 C CA . CYS C 3 350 ? 19.678 -8.740 -81.314 1.00 155.49 ? 328 CYS F CA 1 ATOM 5606 C C . CYS C 3 350 ? 19.054 -9.814 -80.426 1.00 158.55 ? 328 CYS F C 1 ATOM 5607 O O . CYS C 3 350 ? 19.664 -10.233 -79.439 1.00 158.00 ? 328 CYS F O 1 ATOM 5608 C CB . CYS C 3 350 ? 20.656 -9.343 -82.320 1.00 155.95 ? 328 CYS F CB 1 ATOM 5609 S SG . CYS C 3 350 ? 20.854 -8.379 -83.845 1.00 160.47 ? 328 CYS F SG 1 ATOM 5610 N N . ALA C 3 351 ? 17.839 -10.256 -80.781 1.00 154.68 ? 329 ALA F N 1 ATOM 5611 C CA . ALA C 3 351 ? 17.114 -11.290 -80.044 1.00 153.96 ? 329 ALA F CA 1 ATOM 5612 C C . ALA C 3 351 ? 17.567 -12.683 -80.470 1.00 157.49 ? 329 ALA F C 1 ATOM 5613 O O . ALA C 3 351 ? 17.803 -12.913 -81.657 1.00 157.19 ? 329 ALA F O 1 ATOM 5614 C CB . ALA C 3 351 ? 15.619 -11.136 -80.259 1.00 154.53 ? 329 ALA F CB 1 ATOM 5615 N N . VAL C 3 352 ? 17.693 -13.606 -79.499 1.00 153.74 ? 330 VAL F N 1 ATOM 5616 C CA . VAL C 3 352 ? 18.114 -14.994 -79.730 1.00 153.45 ? 330 VAL F CA 1 ATOM 5617 C C . VAL C 3 352 ? 16.934 -15.929 -79.441 1.00 156.99 ? 330 VAL F C 1 ATOM 5618 O O . VAL C 3 352 ? 16.396 -15.907 -78.332 1.00 156.37 ? 330 VAL F O 1 ATOM 5619 C CB . VAL C 3 352 ? 19.375 -15.380 -78.903 1.00 157.43 ? 330 VAL F CB 1 ATOM 5620 C CG1 . VAL C 3 352 ? 19.850 -16.793 -79.241 1.00 157.23 ? 330 VAL F CG1 1 ATOM 5621 C CG2 . VAL C 3 352 ? 20.505 -14.375 -79.105 1.00 157.55 ? 330 VAL F CG2 1 ATOM 5622 N N . HIS C 3 353 ? 16.538 -16.748 -80.436 1.00 153.55 ? 331 HIS F N 1 ATOM 5623 C CA . HIS C 3 353 ? 15.427 -17.693 -80.297 1.00 153.29 ? 331 HIS F CA 1 ATOM 5624 C C . HIS C 3 353 ? 15.632 -18.973 -81.086 1.00 157.13 ? 331 HIS F C 1 ATOM 5625 O O . HIS C 3 353 ? 16.103 -18.934 -82.225 1.00 156.83 ? 331 HIS F O 1 ATOM 5626 C CB . HIS C 3 353 ? 14.096 -17.046 -80.707 1.00 154.07 ? 331 HIS F CB 1 ATOM 5627 C CG . HIS C 3 353 ? 12.890 -17.756 -80.171 1.00 157.38 ? 331 HIS F CG 1 ATOM 5628 N ND1 . HIS C 3 353 ? 12.101 -18.551 -80.983 1.00 159.41 ? 331 HIS F ND1 1 ATOM 5629 C CD2 . HIS C 3 353 ? 12.382 -17.773 -78.917 1.00 158.82 ? 331 HIS F CD2 1 ATOM 5630 C CE1 . HIS C 3 353 ? 11.143 -19.022 -80.201 1.00 158.72 ? 331 HIS F CE1 1 ATOM 5631 N NE2 . HIS C 3 353 ? 11.270 -18.580 -78.950 1.00 158.67 ? 331 HIS F NE2 1 ATOM 5632 N N . SER C 3 354 ? 15.237 -20.105 -80.482 1.00 153.64 ? 332 SER F N 1 ATOM 5633 C CA . SER C 3 354 ? 15.307 -21.427 -81.095 1.00 153.71 ? 332 SER F CA 1 ATOM 5634 C C . SER C 3 354 ? 14.039 -21.654 -81.914 1.00 157.77 ? 332 SER F C 1 ATOM 5635 O O . SER C 3 354 ? 12.931 -21.520 -81.386 1.00 157.28 ? 332 SER F O 1 ATOM 5636 C CB . SER C 3 354 ? 15.449 -22.504 -80.023 1.00 157.31 ? 332 SER F CB 1 ATOM 5637 O OG . SER C 3 354 ? 15.624 -23.791 -80.592 1.00 166.36 ? 332 SER F OG 1 ATOM 5638 N N . MET C 3 355 ? 14.202 -21.973 -83.208 1.00 154.63 ? 333 MET F N 1 ATOM 5639 C CA . MET C 3 355 ? 13.082 -22.237 -84.114 1.00 154.87 ? 333 MET F CA 1 ATOM 5640 C C . MET C 3 355 ? 12.565 -23.678 -84.008 1.00 159.01 ? 333 MET F C 1 ATOM 5641 O O . MET C 3 355 ? 11.535 -24.010 -84.601 1.00 159.02 ? 333 MET F O 1 ATOM 5642 C CB . MET C 3 355 ? 13.435 -21.851 -85.556 1.00 157.49 ? 333 MET F CB 1 ATOM 5643 C CG . MET C 3 355 ? 12.912 -20.488 -85.939 1.00 161.15 ? 333 MET F CG 1 ATOM 5644 S SD . MET C 3 355 ? 11.142 -20.476 -86.307 1.00 165.83 ? 333 MET F SD 1 ATOM 5645 C CE . MET C 3 355 ? 10.962 -18.825 -86.914 1.00 162.55 ? 333 MET F CE 1 ATOM 5646 N N . THR C 3 356 ? 13.267 -24.516 -83.226 1.00 155.44 ? 334 THR F N 1 ATOM 5647 C CA . THR C 3 356 ? 12.916 -25.911 -82.974 1.00 155.71 ? 334 THR F CA 1 ATOM 5648 C C . THR C 3 356 ? 12.368 -26.007 -81.546 1.00 159.34 ? 334 THR F C 1 ATOM 5649 O O . THR C 3 356 ? 13.025 -25.557 -80.606 1.00 158.43 ? 334 THR F O 1 ATOM 5650 C CB . THR C 3 356 ? 14.130 -26.820 -83.237 1.00 163.99 ? 334 THR F CB 1 ATOM 5651 O OG1 . THR C 3 356 ? 14.725 -26.460 -84.485 1.00 163.58 ? 334 THR F OG1 1 ATOM 5652 C CG2 . THR C 3 356 ? 13.767 -28.300 -83.251 1.00 163.29 ? 334 THR F CG2 1 ATOM 5653 N N . ASN C 3 357 ? 11.156 -26.575 -81.396 1.00 156.32 ? 335 ASN F N 1 ATOM 5654 C CA . ASN C 3 357 ? 10.454 -26.732 -80.115 1.00 156.06 ? 335 ASN F CA 1 ATOM 5655 C C . ASN C 3 357 ? 11.140 -27.682 -79.127 1.00 159.95 ? 335 ASN F C 1 ATOM 5656 O O . ASN C 3 357 ? 10.902 -27.583 -77.921 1.00 159.30 ? 335 ASN F O 1 ATOM 5657 C CB . ASN C 3 357 ? 8.997 -27.148 -80.347 1.00 157.51 ? 335 ASN F CB 1 ATOM 5658 C CG . ASN C 3 357 ? 8.187 -26.138 -81.124 1.00 180.73 ? 335 ASN F CG 1 ATOM 5659 O OD1 . ASN C 3 357 ? 8.176 -24.940 -80.820 1.00 174.56 ? 335 ASN F OD1 1 ATOM 5660 N ND2 . ASN C 3 357 ? 7.473 -26.606 -82.136 1.00 173.37 ? 335 ASN F ND2 1 ATOM 5661 N N . ALA C 3 358 ? 11.990 -28.591 -79.636 1.00 156.84 ? 336 ALA F N 1 ATOM 5662 C CA . ALA C 3 358 ? 12.731 -29.572 -78.844 1.00 156.91 ? 336 ALA F CA 1 ATOM 5663 C C . ALA C 3 358 ? 13.942 -28.965 -78.112 1.00 160.12 ? 336 ALA F C 1 ATOM 5664 O O . ALA C 3 358 ? 14.463 -29.588 -77.184 1.00 159.85 ? 336 ALA F O 1 ATOM 5665 C CB . ALA C 3 358 ? 13.177 -30.719 -79.737 1.00 158.25 ? 336 ALA F CB 1 ATOM 5666 N N . VAL C 3 359 ? 14.388 -27.761 -78.535 1.00 156.08 ? 337 VAL F N 1 ATOM 5667 C CA . VAL C 3 359 ? 15.541 -27.043 -77.968 1.00 155.46 ? 337 VAL F CA 1 ATOM 5668 C C . VAL C 3 359 ? 15.106 -25.658 -77.441 1.00 158.73 ? 337 VAL F C 1 ATOM 5669 O O . VAL C 3 359 ? 14.336 -24.966 -78.106 1.00 158.12 ? 337 VAL F O 1 ATOM 5670 C CB . VAL C 3 359 ? 16.710 -26.944 -78.999 1.00 159.28 ? 337 VAL F CB 1 ATOM 5671 C CG1 . VAL C 3 359 ? 17.906 -26.178 -78.434 1.00 158.74 ? 337 VAL F CG1 1 ATOM 5672 C CG2 . VAL C 3 359 ? 17.150 -28.325 -79.481 1.00 159.58 ? 337 VAL F CG2 1 ATOM 5673 N N . THR C 3 360 ? 15.603 -25.264 -76.251 1.00 155.08 ? 338 THR F N 1 ATOM 5674 C CA . THR C 3 360 ? 15.305 -23.968 -75.631 1.00 154.44 ? 338 THR F CA 1 ATOM 5675 C C . THR C 3 360 ? 16.615 -23.259 -75.260 1.00 157.99 ? 338 THR F C 1 ATOM 5676 O O . THR C 3 360 ? 17.473 -23.868 -74.622 1.00 157.75 ? 338 THR F O 1 ATOM 5677 C CB . THR C 3 360 ? 14.359 -24.136 -74.425 1.00 162.64 ? 338 THR F CB 1 ATOM 5678 O OG1 . THR C 3 360 ? 13.365 -25.120 -74.720 1.00 162.59 ? 338 THR F OG1 1 ATOM 5679 C CG2 . THR C 3 360 ? 13.682 -22.831 -74.024 1.00 160.80 ? 338 THR F CG2 1 ATOM 5680 N N . ILE C 3 361 ? 16.763 -21.979 -75.659 1.00 154.20 ? 339 ILE F N 1 ATOM 5681 C CA . ILE C 3 361 ? 17.958 -21.162 -75.392 1.00 153.97 ? 339 ILE F CA 1 ATOM 5682 C C . ILE C 3 361 ? 17.754 -20.297 -74.137 1.00 157.66 ? 339 ILE F C 1 ATOM 5683 O O . ILE C 3 361 ? 16.711 -19.660 -74.000 1.00 156.95 ? 339 ILE F O 1 ATOM 5684 C CB . ILE C 3 361 ? 18.385 -20.330 -76.645 1.00 156.98 ? 339 ILE F CB 1 ATOM 5685 C CG1 . ILE C 3 361 ? 18.591 -21.241 -77.881 1.00 157.55 ? 339 ILE F CG1 1 ATOM 5686 C CG2 . ILE C 3 361 ? 19.649 -19.486 -76.367 1.00 157.78 ? 339 ILE F CG2 1 ATOM 5687 C CD1 . ILE C 3 361 ? 18.547 -20.530 -79.237 1.00 164.90 ? 339 ILE F CD1 1 ATOM 5688 N N . ARG C 3 362 ? 18.762 -20.281 -73.236 1.00 154.45 ? 340 ARG F N 1 ATOM 5689 C CA . ARG C 3 362 ? 18.782 -19.544 -71.967 1.00 154.32 ? 340 ARG F CA 1 ATOM 5690 C C . ARG C 3 362 ? 18.686 -18.019 -72.138 1.00 157.97 ? 340 ARG F C 1 ATOM 5691 O O . ARG C 3 362 ? 17.862 -17.391 -71.471 1.00 157.33 ? 340 ARG F O 1 ATOM 5692 C CB . ARG C 3 362 ? 20.030 -19.929 -71.150 1.00 155.08 ? 340 ARG F CB 1 ATOM 5693 C CG . ARG C 3 362 ? 19.959 -19.557 -69.670 1.00 165.66 ? 340 ARG F CG 1 ATOM 5694 C CD . ARG C 3 362 ? 21.329 -19.241 -69.095 1.00 175.98 ? 340 ARG F CD 1 ATOM 5695 N NE . ARG C 3 362 ? 22.152 -20.439 -68.914 1.00 184.99 ? 340 ARG F NE 1 ATOM 5696 C CZ . ARG C 3 362 ? 23.427 -20.426 -68.535 1.00 199.86 ? 340 ARG F CZ 1 ATOM 5697 N NH1 . ARG C 3 362 ? 24.045 -19.275 -68.296 1.00 187.55 ? 340 ARG F NH1 1 ATOM 5698 N NH2 . ARG C 3 362 ? 24.095 -21.563 -68.397 1.00 187.05 ? 340 ARG F NH2 1 ATOM 5699 N N . GLU C 3 363 ? 19.528 -17.431 -73.009 1.00 154.61 ? 341 GLU F N 1 ATOM 5700 C CA . GLU C 3 363 ? 19.552 -15.983 -73.252 1.00 154.39 ? 341 GLU F CA 1 ATOM 5701 C C . GLU C 3 363 ? 18.567 -15.523 -74.320 1.00 157.90 ? 341 GLU F C 1 ATOM 5702 O O . GLU C 3 363 ? 18.433 -16.166 -75.363 1.00 157.31 ? 341 GLU F O 1 ATOM 5703 C CB . GLU C 3 363 ? 20.975 -15.438 -73.501 1.00 156.17 ? 341 GLU F CB 1 ATOM 5704 C CG . GLU C 3 363 ? 21.846 -16.266 -74.431 1.00 166.87 ? 341 GLU F CG 1 ATOM 5705 C CD . GLU C 3 363 ? 22.608 -17.380 -73.740 1.00 187.62 ? 341 GLU F CD 1 ATOM 5706 O OE1 . GLU C 3 363 ? 22.066 -18.506 -73.652 1.00 181.67 ? 341 GLU F OE1 1 ATOM 5707 O OE2 . GLU C 3 363 ? 23.738 -17.123 -73.268 1.00 182.16 ? 341 GLU F OE2 1 ATOM 5708 N N . ALA C 3 364 ? 17.870 -14.409 -74.039 1.00 154.43 ? 342 ALA F N 1 ATOM 5709 C CA . ALA C 3 364 ? 16.862 -13.816 -74.918 1.00 154.06 ? 342 ALA F CA 1 ATOM 5710 C C . ALA C 3 364 ? 17.408 -12.686 -75.795 1.00 158.24 ? 342 ALA F C 1 ATOM 5711 O O . ALA C 3 364 ? 16.884 -12.470 -76.888 1.00 157.74 ? 342 ALA F O 1 ATOM 5712 C CB . ALA C 3 364 ? 15.685 -13.316 -74.095 1.00 154.52 ? 342 ALA F CB 1 ATOM 5713 N N . GLU C 3 365 ? 18.440 -11.960 -75.318 1.00 155.25 ? 343 GLU F N 1 ATOM 5714 C CA . GLU C 3 365 ? 19.042 -10.838 -76.044 1.00 155.48 ? 343 GLU F CA 1 ATOM 5715 C C . GLU C 3 365 ? 20.563 -10.784 -75.864 1.00 159.90 ? 343 GLU F C 1 ATOM 5716 O O . GLU C 3 365 ? 21.065 -11.032 -74.765 1.00 159.60 ? 343 GLU F O 1 ATOM 5717 C CB . GLU C 3 365 ? 18.399 -9.510 -75.596 1.00 156.93 ? 343 GLU F CB 1 ATOM 5718 C CG . GLU C 3 365 ? 18.580 -8.356 -76.569 1.00 167.65 ? 343 GLU F CG 1 ATOM 5719 C CD . GLU C 3 365 ? 17.928 -7.060 -76.131 1.00 187.42 ? 343 GLU F CD 1 ATOM 5720 O OE1 . GLU C 3 365 ? 16.869 -6.709 -76.699 1.00 181.10 ? 343 GLU F OE1 1 ATOM 5721 O OE2 . GLU C 3 365 ? 18.473 -6.394 -75.221 1.00 181.45 ? 343 GLU F OE2 1 ATOM 5722 N N . ILE C 3 366 ? 21.288 -10.459 -76.954 1.00 156.85 ? 344 ILE F N 1 ATOM 5723 C CA . ILE C 3 366 ? 22.751 -10.314 -76.979 1.00 157.18 ? 344 ILE F CA 1 ATOM 5724 C C . ILE C 3 366 ? 23.157 -8.998 -77.666 1.00 161.61 ? 344 ILE F C 1 ATOM 5725 O O . ILE C 3 366 ? 22.451 -8.528 -78.563 1.00 161.08 ? 344 ILE F O 1 ATOM 5726 C CB . ILE C 3 366 ? 23.502 -11.553 -77.573 1.00 160.14 ? 344 ILE F CB 1 ATOM 5727 C CG1 . ILE C 3 366 ? 23.172 -11.808 -79.063 1.00 160.37 ? 344 ILE F CG1 1 ATOM 5728 C CG2 . ILE C 3 366 ? 23.327 -12.817 -76.718 1.00 160.57 ? 344 ILE F CG2 1 ATOM 5729 C CD1 . ILE C 3 366 ? 24.231 -11.329 -80.032 1.00 168.14 ? 344 ILE F CD1 1 ATOM 5730 N N . GLU C 3 367 ? 24.303 -8.424 -77.261 1.00 158.88 ? 345 GLU F N 1 ATOM 5731 C CA . GLU C 3 367 ? 24.817 -7.193 -77.855 1.00 159.40 ? 345 GLU F CA 1 ATOM 5732 C C . GLU C 3 367 ? 25.688 -7.544 -79.065 1.00 163.37 ? 345 GLU F C 1 ATOM 5733 O O . GLU C 3 367 ? 26.718 -8.206 -78.917 1.00 162.97 ? 345 GLU F O 1 ATOM 5734 C CB . GLU C 3 367 ? 25.592 -6.358 -76.819 1.00 161.52 ? 345 GLU F CB 1 ATOM 5735 C CG . GLU C 3 367 ? 25.719 -4.891 -77.192 1.00 172.70 ? 345 GLU F CG 1 ATOM 5736 C CD . GLU C 3 367 ? 26.537 -4.067 -76.219 1.00 193.45 ? 345 GLU F CD 1 ATOM 5737 O OE1 . GLU C 3 367 ? 25.931 -3.357 -75.385 1.00 187.77 ? 345 GLU F OE1 1 ATOM 5738 O OE2 . GLU C 3 367 ? 27.786 -4.131 -76.288 1.00 187.79 ? 345 GLU F OE2 1 ATOM 5739 N N . VAL C 3 368 ? 25.239 -7.133 -80.264 1.00 160.01 ? 346 VAL F N 1 ATOM 5740 C CA . VAL C 3 368 ? 25.922 -7.370 -81.539 1.00 159.94 ? 346 VAL F CA 1 ATOM 5741 C C . VAL C 3 368 ? 26.927 -6.235 -81.827 1.00 164.75 ? 346 VAL F C 1 ATOM 5742 O O . VAL C 3 368 ? 26.643 -5.076 -81.515 1.00 164.83 ? 346 VAL F O 1 ATOM 5743 C CB . VAL C 3 368 ? 24.887 -7.655 -82.672 1.00 163.48 ? 346 VAL F CB 1 ATOM 5744 C CG1 . VAL C 3 368 ? 25.018 -6.712 -83.868 1.00 163.87 ? 346 VAL F CG1 1 ATOM 5745 C CG2 . VAL C 3 368 ? 24.930 -9.115 -83.106 1.00 162.68 ? 346 VAL F CG2 1 ATOM 5746 N N . GLU C 3 369 ? 28.114 -6.579 -82.372 1.00 161.57 ? 347 GLU F N 1 ATOM 5747 C CA . GLU C 3 369 ? 29.168 -5.603 -82.665 1.00 162.31 ? 347 GLU F CA 1 ATOM 5748 C C . GLU C 3 369 ? 29.492 -5.475 -84.157 1.00 166.37 ? 347 GLU F C 1 ATOM 5749 O O . GLU C 3 369 ? 29.206 -4.434 -84.752 1.00 166.49 ? 347 GLU F O 1 ATOM 5750 C CB . GLU C 3 369 ? 30.436 -5.879 -81.832 1.00 163.98 ? 347 GLU F CB 1 ATOM 5751 C CG . GLU C 3 369 ? 30.326 -5.463 -80.372 1.00 174.74 ? 347 GLU F CG 1 ATOM 5752 C CD . GLU C 3 369 ? 30.595 -4.008 -80.023 1.00 195.36 ? 347 GLU F CD 1 ATOM 5753 O OE1 . GLU C 3 369 ? 30.765 -3.177 -80.945 1.00 189.86 ? 347 GLU F OE1 1 ATOM 5754 O OE2 . GLU C 3 369 ? 30.641 -3.702 -78.810 1.00 189.25 ? 347 GLU F OE2 1 ATOM 5755 N N . GLY C 3 370 ? 30.085 -6.520 -84.735 1.00 162.56 ? 348 GLY F N 1 ATOM 5756 C CA . GLY C 3 370 ? 30.474 -6.559 -86.140 1.00 162.53 ? 348 GLY F CA 1 ATOM 5757 C C . GLY C 3 370 ? 30.923 -7.934 -86.585 1.00 165.75 ? 348 GLY F C 1 ATOM 5758 O O . GLY C 3 370 ? 30.088 -8.814 -86.804 1.00 164.67 ? 348 GLY F O 1 ATOM 5759 N N . ASN C 3 371 ? 32.248 -8.126 -86.719 1.00 162.53 ? 349 ASN F N 1 ATOM 5760 C CA . ASN C 3 371 ? 32.852 -9.399 -87.126 1.00 161.71 ? 349 ASN F CA 1 ATOM 5761 C C . ASN C 3 371 ? 33.307 -10.215 -85.898 1.00 165.26 ? 349 ASN F C 1 ATOM 5762 O O . ASN C 3 371 ? 34.437 -10.712 -85.844 1.00 164.77 ? 349 ASN F O 1 ATOM 5763 C CB . ASN C 3 371 ? 33.985 -9.172 -88.148 1.00 162.92 ? 349 ASN F CB 1 ATOM 5764 C CG . ASN C 3 371 ? 35.062 -8.212 -87.698 1.00 186.97 ? 349 ASN F CG 1 ATOM 5765 O OD1 . ASN C 3 371 ? 34.831 -7.010 -87.525 1.00 182.14 ? 349 ASN F OD1 1 ATOM 5766 N ND2 . ASN C 3 371 ? 36.273 -8.720 -87.528 1.00 178.86 ? 349 ASN F ND2 1 ATOM 5767 N N . SER C 3 372 ? 32.396 -10.359 -84.917 1.00 161.65 ? 350 SER F N 1 ATOM 5768 C CA . SER C 3 372 ? 32.624 -11.074 -83.660 1.00 161.30 ? 350 SER F CA 1 ATOM 5769 C C . SER C 3 372 ? 31.829 -12.397 -83.588 1.00 164.41 ? 350 SER F C 1 ATOM 5770 O O . SER C 3 372 ? 31.249 -12.824 -84.590 1.00 163.54 ? 350 SER F O 1 ATOM 5771 C CB . SER C 3 372 ? 32.291 -10.165 -82.478 1.00 165.37 ? 350 SER F CB 1 ATOM 5772 O OG . SER C 3 372 ? 32.725 -10.721 -81.248 1.00 174.16 ? 350 SER F OG 1 ATOM 5773 N N . GLN C 3 373 ? 31.835 -13.054 -82.411 1.00 160.94 ? 351 GLN F N 1 ATOM 5774 C CA . GLN C 3 373 ? 31.129 -14.312 -82.153 1.00 160.19 ? 351 GLN F CA 1 ATOM 5775 C C . GLN C 3 373 ? 30.331 -14.263 -80.847 1.00 164.04 ? 351 GLN F C 1 ATOM 5776 O O . GLN C 3 373 ? 30.722 -13.563 -79.910 1.00 164.05 ? 351 GLN F O 1 ATOM 5777 C CB . GLN C 3 373 ? 32.089 -15.522 -82.176 1.00 161.35 ? 351 GLN F CB 1 ATOM 5778 C CG . GLN C 3 373 ? 33.278 -15.434 -81.213 1.00 177.88 ? 351 GLN F CG 1 ATOM 5779 C CD . GLN C 3 373 ? 33.818 -16.794 -80.844 1.00 197.61 ? 351 GLN F CD 1 ATOM 5780 O OE1 . GLN C 3 373 ? 33.568 -17.309 -79.749 1.00 193.34 ? 351 GLN F OE1 1 ATOM 5781 N NE2 . GLN C 3 373 ? 34.582 -17.403 -81.740 1.00 189.79 ? 351 GLN F NE2 1 ATOM 5782 N N . LEU C 3 374 ? 29.216 -15.012 -80.793 1.00 160.17 ? 352 LEU F N 1 ATOM 5783 C CA . LEU C 3 374 ? 28.346 -15.093 -79.617 1.00 159.96 ? 352 LEU F CA 1 ATOM 5784 C C . LEU C 3 374 ? 28.282 -16.516 -79.043 1.00 163.50 ? 352 LEU F C 1 ATOM 5785 O O . LEU C 3 374 ? 28.386 -17.489 -79.793 1.00 162.75 ? 352 LEU F O 1 ATOM 5786 C CB . LEU C 3 374 ? 26.934 -14.536 -79.921 1.00 159.83 ? 352 LEU F CB 1 ATOM 5787 C CG . LEU C 3 374 ? 26.095 -15.264 -80.982 1.00 164.16 ? 352 LEU F CG 1 ATOM 5788 C CD1 . LEU C 3 374 ? 25.000 -16.083 -80.341 1.00 164.05 ? 352 LEU F CD1 1 ATOM 5789 C CD2 . LEU C 3 374 ? 25.484 -14.289 -81.959 1.00 166.76 ? 352 LEU F CD2 1 ATOM 5790 N N . GLN C 3 375 ? 28.110 -16.628 -77.714 1.00 160.21 ? 353 GLN F N 1 ATOM 5791 C CA . GLN C 3 375 ? 28.001 -17.916 -77.028 1.00 159.92 ? 353 GLN F CA 1 ATOM 5792 C C . GLN C 3 375 ? 26.640 -18.029 -76.344 1.00 163.42 ? 353 GLN F C 1 ATOM 5793 O O . GLN C 3 375 ? 26.250 -17.132 -75.590 1.00 163.11 ? 353 GLN F O 1 ATOM 5794 C CB . GLN C 3 375 ? 29.151 -18.117 -76.025 1.00 161.81 ? 353 GLN F CB 1 ATOM 5795 C CG . GLN C 3 375 ? 29.385 -19.581 -75.661 1.00 177.69 ? 353 GLN F CG 1 ATOM 5796 C CD . GLN C 3 375 ? 30.416 -19.746 -74.575 1.00 198.26 ? 353 GLN F CD 1 ATOM 5797 O OE1 . GLN C 3 375 ? 31.621 -19.583 -74.794 1.00 194.26 ? 353 GLN F OE1 1 ATOM 5798 N NE2 . GLN C 3 375 ? 29.965 -20.104 -73.383 1.00 190.97 ? 353 GLN F NE2 1 ATOM 5799 N N . ILE C 3 376 ? 25.913 -19.122 -76.629 1.00 159.58 ? 354 ILE F N 1 ATOM 5800 C CA . ILE C 3 376 ? 24.582 -19.386 -76.070 1.00 159.17 ? 354 ILE F CA 1 ATOM 5801 C C . ILE C 3 376 ? 24.507 -20.703 -75.294 1.00 162.94 ? 354 ILE F C 1 ATOM 5802 O O . ILE C 3 376 ? 25.246 -21.643 -75.594 1.00 162.55 ? 354 ILE F O 1 ATOM 5803 C CB . ILE C 3 376 ? 23.436 -19.259 -77.122 1.00 161.96 ? 354 ILE F CB 1 ATOM 5804 C CG1 . ILE C 3 376 ? 23.647 -20.186 -78.344 1.00 162.30 ? 354 ILE F CG1 1 ATOM 5805 C CG2 . ILE C 3 376 ? 23.212 -17.806 -77.542 1.00 162.65 ? 354 ILE F CG2 1 ATOM 5806 C CD1 . ILE C 3 376 ? 22.386 -20.903 -78.824 1.00 169.64 ? 354 ILE F CD1 1 ATOM 5807 N N . SER C 3 377 ? 23.605 -20.760 -74.299 1.00 159.42 ? 355 SER F N 1 ATOM 5808 C CA . SER C 3 377 ? 23.350 -21.944 -73.481 1.00 159.42 ? 355 SER F CA 1 ATOM 5809 C C . SER C 3 377 ? 21.985 -22.507 -73.870 1.00 162.87 ? 355 SER F C 1 ATOM 5810 O O . SER C 3 377 ? 21.011 -21.752 -73.937 1.00 162.12 ? 355 SER F O 1 ATOM 5811 C CB . SER C 3 377 ? 23.381 -21.592 -71.997 1.00 163.31 ? 355 SER F CB 1 ATOM 5812 O OG . SER C 3 377 ? 24.663 -21.127 -71.607 1.00 172.39 ? 355 SER F OG 1 ATOM 5813 N N . PHE C 3 378 ? 21.917 -23.819 -74.163 1.00 159.49 ? 356 PHE F N 1 ATOM 5814 C CA . PHE C 3 378 ? 20.667 -24.458 -74.579 1.00 159.18 ? 356 PHE F CA 1 ATOM 5815 C C . PHE C 3 378 ? 20.308 -25.739 -73.821 1.00 163.21 ? 356 PHE F C 1 ATOM 5816 O O . PHE C 3 378 ? 21.191 -26.421 -73.300 1.00 163.11 ? 356 PHE F O 1 ATOM 5817 C CB . PHE C 3 378 ? 20.619 -24.657 -76.107 1.00 160.83 ? 356 PHE F CB 1 ATOM 5818 C CG . PHE C 3 378 ? 21.571 -25.685 -76.675 1.00 162.65 ? 356 PHE F CG 1 ATOM 5819 C CD1 . PHE C 3 378 ? 22.865 -25.332 -77.040 1.00 165.68 ? 356 PHE F CD1 1 ATOM 5820 C CD2 . PHE C 3 378 ? 21.158 -26.995 -76.890 1.00 165.16 ? 356 PHE F CD2 1 ATOM 5821 C CE1 . PHE C 3 378 ? 23.740 -26.280 -77.581 1.00 166.76 ? 356 PHE F CE1 1 ATOM 5822 C CE2 . PHE C 3 378 ? 22.031 -27.940 -77.433 1.00 168.21 ? 356 PHE F CE2 1 ATOM 5823 C CZ . PHE C 3 378 ? 23.317 -27.578 -77.771 1.00 166.12 ? 356 PHE F CZ 1 ATOM 5824 N N . SER C 3 379 ? 19.000 -26.058 -73.772 1.00 159.67 ? 357 SER F N 1 ATOM 5825 C CA . SER C 3 379 ? 18.462 -27.248 -73.112 1.00 159.91 ? 357 SER F CA 1 ATOM 5826 C C . SER C 3 379 ? 17.688 -28.111 -74.106 1.00 163.73 ? 357 SER F C 1 ATOM 5827 O O . SER C 3 379 ? 16.859 -27.593 -74.858 1.00 162.95 ? 357 SER F O 1 ATOM 5828 C CB . SER C 3 379 ? 17.560 -26.856 -71.945 1.00 163.49 ? 357 SER F CB 1 ATOM 5829 O OG . SER C 3 379 ? 17.187 -27.987 -71.175 1.00 172.91 ? 357 SER F OG 1 ATOM 5830 N N . THR C 3 380 ? 17.969 -29.429 -74.108 1.00 160.75 ? 358 THR F N 1 ATOM 5831 C CA . THR C 3 380 ? 17.329 -30.426 -74.977 1.00 160.89 ? 358 THR F CA 1 ATOM 5832 C C . THR C 3 380 ? 17.278 -31.815 -74.320 1.00 165.34 ? 358 THR F C 1 ATOM 5833 O O . THR C 3 380 ? 18.037 -32.081 -73.388 1.00 165.14 ? 358 THR F O 1 ATOM 5834 C CB . THR C 3 380 ? 17.959 -30.434 -76.392 1.00 168.99 ? 358 THR F CB 1 ATOM 5835 O OG1 . THR C 3 380 ? 17.163 -31.246 -77.257 1.00 169.06 ? 358 THR F OG1 1 ATOM 5836 C CG2 . THR C 3 380 ? 19.411 -30.917 -76.404 1.00 167.75 ? 358 THR F CG2 1 ATOM 5837 N N . ALA C 3 381 ? 16.384 -32.691 -74.812 1.00 162.30 ? 359 ALA F N 1 ATOM 5838 C CA . ALA C 3 381 ? 16.223 -34.063 -74.324 1.00 162.98 ? 359 ALA F CA 1 ATOM 5839 C C . ALA C 3 381 ? 16.719 -35.078 -75.365 1.00 167.13 ? 359 ALA F C 1 ATOM 5840 O O . ALA C 3 381 ? 16.934 -36.247 -75.034 1.00 167.49 ? 359 ALA F O 1 ATOM 5841 C CB . ALA C 3 381 ? 14.763 -34.326 -73.984 1.00 164.11 ? 359 ALA F CB 1 ATOM 5842 N N . LEU C 3 382 ? 16.912 -34.618 -76.616 1.00 163.10 ? 360 LEU F N 1 ATOM 5843 C CA . LEU C 3 382 ? 17.363 -35.420 -77.754 1.00 163.15 ? 360 LEU F CA 1 ATOM 5844 C C . LEU C 3 382 ? 18.873 -35.646 -77.765 1.00 166.59 ? 360 LEU F C 1 ATOM 5845 O O . LEU C 3 382 ? 19.638 -34.726 -77.466 1.00 165.47 ? 360 LEU F O 1 ATOM 5846 C CB . LEU C 3 382 ? 16.924 -34.760 -79.074 1.00 162.80 ? 360 LEU F CB 1 ATOM 5847 C CG . LEU C 3 382 ? 15.516 -35.091 -79.571 1.00 168.07 ? 360 LEU F CG 1 ATOM 5848 C CD1 . LEU C 3 382 ? 14.475 -34.164 -78.956 1.00 167.91 ? 360 LEU F CD1 1 ATOM 5849 C CD2 . LEU C 3 382 ? 15.443 -34.991 -81.081 1.00 170.52 ? 360 LEU F CD2 1 ATOM 5850 N N . ALA C 3 383 ? 19.294 -36.874 -78.130 1.00 163.61 ? 361 ALA F N 1 ATOM 5851 C CA . ALA C 3 383 ? 20.702 -37.265 -78.242 1.00 163.25 ? 361 ALA F CA 1 ATOM 5852 C C . ALA C 3 383 ? 21.316 -36.634 -79.497 1.00 166.09 ? 361 ALA F C 1 ATOM 5853 O O . ALA C 3 383 ? 22.479 -36.228 -79.475 1.00 165.13 ? 361 ALA F O 1 ATOM 5854 C CB . ALA C 3 383 ? 20.823 -38.780 -78.300 1.00 164.96 ? 361 ALA F CB 1 ATOM 5855 N N . SER C 3 384 ? 20.521 -36.544 -80.582 1.00 162.46 ? 362 SER F N 1 ATOM 5856 C CA . SER C 3 384 ? 20.899 -35.931 -81.853 1.00 161.59 ? 362 SER F CA 1 ATOM 5857 C C . SER C 3 384 ? 20.026 -34.684 -82.032 1.00 164.64 ? 362 SER F C 1 ATOM 5858 O O . SER C 3 384 ? 18.890 -34.775 -82.508 1.00 164.50 ? 362 SER F O 1 ATOM 5859 C CB . SER C 3 384 ? 20.711 -36.915 -83.006 1.00 165.73 ? 362 SER F CB 1 ATOM 5860 O OG . SER C 3 384 ? 21.492 -38.084 -82.819 1.00 175.06 ? 362 SER F OG 1 ATOM 5861 N N . ALA C 3 385 ? 20.544 -33.527 -81.583 1.00 160.31 ? 363 ALA F N 1 ATOM 5862 C CA . ALA C 3 385 ? 19.829 -32.253 -81.623 1.00 159.57 ? 363 ALA F CA 1 ATOM 5863 C C . ALA C 3 385 ? 20.113 -31.406 -82.868 1.00 162.65 ? 363 ALA F C 1 ATOM 5864 O O . ALA C 3 385 ? 21.197 -30.830 -83.008 1.00 161.71 ? 363 ALA F O 1 ATOM 5865 C CB . ALA C 3 385 ? 20.095 -31.457 -80.352 1.00 159.96 ? 363 ALA F CB 1 ATOM 5866 N N . GLU C 3 386 ? 19.121 -31.347 -83.775 1.00 159.23 ? 364 GLU F N 1 ATOM 5867 C CA . GLU C 3 386 ? 19.153 -30.556 -85.004 1.00 158.68 ? 364 GLU F CA 1 ATOM 5868 C C . GLU C 3 386 ? 18.239 -29.356 -84.773 1.00 161.95 ? 364 GLU F C 1 ATOM 5869 O O . GLU C 3 386 ? 17.021 -29.527 -84.663 1.00 161.84 ? 364 GLU F O 1 ATOM 5870 C CB . GLU C 3 386 ? 18.674 -31.384 -86.211 1.00 160.66 ? 364 GLU F CB 1 ATOM 5871 C CG . GLU C 3 386 ? 19.775 -32.179 -86.886 1.00 171.20 ? 364 GLU F CG 1 ATOM 5872 C CD . GLU C 3 386 ? 19.912 -33.607 -86.397 1.00 191.80 ? 364 GLU F CD 1 ATOM 5873 O OE1 . GLU C 3 386 ? 19.477 -34.527 -87.126 1.00 186.48 ? 364 GLU F OE1 1 ATOM 5874 O OE2 . GLU C 3 386 ? 20.455 -33.807 -85.287 1.00 185.62 ? 364 GLU F OE2 1 ATOM 5875 N N . PHE C 3 387 ? 18.825 -28.151 -84.632 1.00 157.75 ? 365 PHE F N 1 ATOM 5876 C CA . PHE C 3 387 ? 18.052 -26.940 -84.346 1.00 157.22 ? 365 PHE F CA 1 ATOM 5877 C C . PHE C 3 387 ? 18.501 -25.672 -85.070 1.00 160.36 ? 365 PHE F C 1 ATOM 5878 O O . PHE C 3 387 ? 19.676 -25.528 -85.409 1.00 159.68 ? 365 PHE F O 1 ATOM 5879 C CB . PHE C 3 387 ? 17.920 -26.710 -82.827 1.00 158.83 ? 365 PHE F CB 1 ATOM 5880 C CG . PHE C 3 387 ? 19.200 -26.442 -82.067 1.00 160.09 ? 365 PHE F CG 1 ATOM 5881 C CD1 . PHE C 3 387 ? 20.034 -27.487 -81.684 1.00 163.35 ? 365 PHE F CD1 1 ATOM 5882 C CD2 . PHE C 3 387 ? 19.533 -25.153 -81.668 1.00 161.87 ? 365 PHE F CD2 1 ATOM 5883 C CE1 . PHE C 3 387 ? 21.204 -27.242 -80.960 1.00 164.07 ? 365 PHE F CE1 1 ATOM 5884 C CE2 . PHE C 3 387 ? 20.699 -24.910 -80.934 1.00 164.54 ? 365 PHE F CE2 1 ATOM 5885 C CZ . PHE C 3 387 ? 21.526 -25.956 -80.585 1.00 162.81 ? 365 PHE F CZ 1 ATOM 5886 N N . ARG C 3 388 ? 17.543 -24.755 -85.303 1.00 156.68 ? 366 ARG F N 1 ATOM 5887 C CA . ARG C 3 388 ? 17.754 -23.467 -85.970 1.00 156.20 ? 366 ARG F CA 1 ATOM 5888 C C . ARG C 3 388 ? 17.717 -22.337 -84.943 1.00 159.34 ? 366 ARG F C 1 ATOM 5889 O O . ARG C 3 388 ? 16.812 -22.301 -84.105 1.00 158.84 ? 366 ARG F O 1 ATOM 5890 C CB . ARG C 3 388 ? 16.684 -23.230 -87.051 1.00 156.94 ? 366 ARG F CB 1 ATOM 5891 C CG . ARG C 3 388 ? 16.800 -24.137 -88.274 1.00 167.74 ? 366 ARG F CG 1 ATOM 5892 C CD . ARG C 3 388 ? 15.511 -24.155 -89.081 1.00 177.98 ? 366 ARG F CD 1 ATOM 5893 N NE . ARG C 3 388 ? 14.461 -24.930 -88.415 1.00 186.54 ? 366 ARG F NE 1 ATOM 5894 C CZ . ARG C 3 388 ? 13.164 -24.841 -88.692 1.00 201.00 ? 366 ARG F CZ 1 ATOM 5895 N NH1 . ARG C 3 388 ? 12.732 -24.003 -89.624 1.00 188.56 ? 366 ARG F NH1 1 ATOM 5896 N NH2 . ARG C 3 388 ? 12.287 -25.585 -88.031 1.00 187.99 ? 366 ARG F NH2 1 ATOM 5897 N N . VAL C 3 389 ? 18.706 -21.425 -85.004 1.00 155.47 ? 367 VAL F N 1 ATOM 5898 C CA . VAL C 3 389 ? 18.821 -20.279 -84.095 1.00 154.96 ? 367 VAL F CA 1 ATOM 5899 C C . VAL C 3 389 ? 18.633 -18.981 -84.882 1.00 158.67 ? 367 VAL F C 1 ATOM 5900 O O . VAL C 3 389 ? 19.361 -18.727 -85.844 1.00 158.33 ? 367 VAL F O 1 ATOM 5901 C CB . VAL C 3 389 ? 20.150 -20.283 -83.277 1.00 158.72 ? 367 VAL F CB 1 ATOM 5902 C CG1 . VAL C 3 389 ? 20.250 -19.062 -82.362 1.00 158.42 ? 367 VAL F CG1 1 ATOM 5903 C CG2 . VAL C 3 389 ? 20.300 -21.566 -82.465 1.00 158.55 ? 367 VAL F CG2 1 ATOM 5904 N N . GLN C 3 390 ? 17.651 -18.167 -84.473 1.00 155.05 ? 368 GLN F N 1 ATOM 5905 C CA . GLN C 3 390 ? 17.385 -16.888 -85.120 1.00 154.98 ? 368 GLN F CA 1 ATOM 5906 C C . GLN C 3 390 ? 17.979 -15.739 -84.301 1.00 158.44 ? 368 GLN F C 1 ATOM 5907 O O . GLN C 3 390 ? 17.469 -15.414 -83.226 1.00 157.78 ? 368 GLN F O 1 ATOM 5908 C CB . GLN C 3 390 ? 15.879 -16.695 -85.376 1.00 156.52 ? 368 GLN F CB 1 ATOM 5909 C CG . GLN C 3 390 ? 15.555 -15.505 -86.278 1.00 172.64 ? 368 GLN F CG 1 ATOM 5910 C CD . GLN C 3 390 ? 14.074 -15.361 -86.503 1.00 192.64 ? 368 GLN F CD 1 ATOM 5911 O OE1 . GLN C 3 390 ? 13.528 -15.817 -87.511 1.00 188.77 ? 368 GLN F OE1 1 ATOM 5912 N NE2 . GLN C 3 390 ? 13.388 -14.737 -85.559 1.00 184.72 ? 368 GLN F NE2 1 ATOM 5913 N N . VAL C 3 391 ? 19.082 -15.156 -84.805 1.00 155.00 ? 369 VAL F N 1 ATOM 5914 C CA . VAL C 3 391 ? 19.760 -14.003 -84.204 1.00 154.82 ? 369 VAL F CA 1 ATOM 5915 C C . VAL C 3 391 ? 19.303 -12.812 -85.047 1.00 158.82 ? 369 VAL F C 1 ATOM 5916 O O . VAL C 3 391 ? 19.642 -12.732 -86.232 1.00 158.62 ? 369 VAL F O 1 ATOM 5917 C CB . VAL C 3 391 ? 21.307 -14.153 -84.144 1.00 158.79 ? 369 VAL F CB 1 ATOM 5918 C CG1 . VAL C 3 391 ? 21.950 -12.957 -83.440 1.00 158.82 ? 369 VAL F CG1 1 ATOM 5919 C CG2 . VAL C 3 391 ? 21.710 -15.457 -83.456 1.00 158.33 ? 369 VAL F CG2 1 ATOM 5920 N N . CYS C 3 392 ? 18.476 -11.930 -84.443 1.00 155.31 ? 370 CYS F N 1 ATOM 5921 C CA . CYS C 3 392 ? 17.815 -10.780 -85.072 1.00 155.47 ? 370 CYS F CA 1 ATOM 5922 C C . CYS C 3 392 ? 16.817 -11.302 -86.129 1.00 159.22 ? 370 CYS F C 1 ATOM 5923 O O . CYS C 3 392 ? 15.871 -11.989 -85.745 1.00 158.49 ? 370 CYS F O 1 ATOM 5924 C CB . CYS C 3 392 ? 18.809 -9.765 -85.643 1.00 156.28 ? 370 CYS F CB 1 ATOM 5925 S SG . CYS C 3 392 ? 18.990 -8.258 -84.652 1.00 160.43 ? 370 CYS F SG 1 ATOM 5926 N N . SER C 3 393 ? 17.056 -11.057 -87.435 1.00 156.11 ? 371 SER F N 1 ATOM 5927 C CA . SER C 3 393 ? 16.171 -11.514 -88.513 1.00 156.16 ? 371 SER F CA 1 ATOM 5928 C C . SER C 3 393 ? 16.770 -12.616 -89.415 1.00 159.83 ? 371 SER F C 1 ATOM 5929 O O . SER C 3 393 ? 16.133 -13.010 -90.396 1.00 159.77 ? 371 SER F O 1 ATOM 5930 C CB . SER C 3 393 ? 15.691 -10.327 -89.346 1.00 160.42 ? 371 SER F CB 1 ATOM 5931 O OG . SER C 3 393 ? 14.848 -9.474 -88.590 1.00 169.24 ? 371 SER F OG 1 ATOM 5932 N N . THR C 3 394 ? 17.972 -13.127 -89.073 1.00 155.87 ? 372 THR F N 1 ATOM 5933 C CA . THR C 3 394 ? 18.653 -14.172 -89.849 1.00 155.59 ? 372 THR F CA 1 ATOM 5934 C C . THR C 3 394 ? 18.751 -15.489 -89.054 1.00 158.62 ? 372 THR F C 1 ATOM 5935 O O . THR C 3 394 ? 19.022 -15.468 -87.852 1.00 157.78 ? 372 THR F O 1 ATOM 5936 C CB . THR C 3 394 ? 19.999 -13.656 -90.401 1.00 163.97 ? 372 THR F CB 1 ATOM 5937 O OG1 . THR C 3 394 ? 19.861 -12.302 -90.840 1.00 164.14 ? 372 THR F OG1 1 ATOM 5938 C CG2 . THR C 3 394 ? 20.538 -14.509 -91.544 1.00 162.72 ? 372 THR F CG2 1 ATOM 5939 N N . GLN C 3 395 ? 18.514 -16.626 -89.737 1.00 155.07 ? 373 GLN F N 1 ATOM 5940 C CA . GLN C 3 395 ? 18.525 -17.979 -89.171 1.00 154.49 ? 373 GLN F CA 1 ATOM 5941 C C . GLN C 3 395 ? 19.855 -18.698 -89.427 1.00 157.89 ? 373 GLN F C 1 ATOM 5942 O O . GLN C 3 395 ? 20.454 -18.530 -90.492 1.00 157.63 ? 373 GLN F O 1 ATOM 5943 C CB . GLN C 3 395 ? 17.368 -18.793 -89.777 1.00 156.24 ? 373 GLN F CB 1 ATOM 5944 C CG . GLN C 3 395 ? 16.876 -19.966 -88.932 1.00 172.18 ? 373 GLN F CG 1 ATOM 5945 C CD . GLN C 3 395 ? 15.892 -19.563 -87.860 1.00 192.21 ? 373 GLN F CD 1 ATOM 5946 O OE1 . GLN C 3 395 ? 16.105 -19.817 -86.672 1.00 187.71 ? 373 GLN F OE1 1 ATOM 5947 N NE2 . GLN C 3 395 ? 14.786 -18.940 -88.252 1.00 184.70 ? 373 GLN F NE2 1 ATOM 5948 N N . VAL C 3 396 ? 20.292 -19.520 -88.453 1.00 153.93 ? 374 VAL F N 1 ATOM 5949 C CA . VAL C 3 396 ? 21.524 -20.317 -88.519 1.00 153.45 ? 374 VAL F CA 1 ATOM 5950 C C . VAL C 3 396 ? 21.275 -21.746 -87.973 1.00 157.02 ? 374 VAL F C 1 ATOM 5951 O O . VAL C 3 396 ? 20.654 -21.901 -86.920 1.00 156.48 ? 374 VAL F O 1 ATOM 5952 C CB . VAL C 3 396 ? 22.763 -19.577 -87.908 1.00 157.12 ? 374 VAL F CB 1 ATOM 5953 C CG1 . VAL C 3 396 ? 22.625 -19.342 -86.402 1.00 156.75 ? 374 VAL F CG1 1 ATOM 5954 C CG2 . VAL C 3 396 ? 24.075 -20.285 -88.240 1.00 156.79 ? 374 VAL F CG2 1 ATOM 5955 N N . HIS C 3 397 ? 21.706 -22.780 -88.723 1.00 153.53 ? 375 HIS F N 1 ATOM 5956 C CA . HIS C 3 397 ? 21.522 -24.183 -88.337 1.00 153.35 ? 375 HIS F CA 1 ATOM 5957 C C . HIS C 3 397 ? 22.626 -24.666 -87.395 1.00 156.71 ? 375 HIS F C 1 ATOM 5958 O O . HIS C 3 397 ? 23.809 -24.436 -87.659 1.00 156.01 ? 375 HIS F O 1 ATOM 5959 C CB . HIS C 3 397 ? 21.423 -25.088 -89.579 1.00 154.45 ? 375 HIS F CB 1 ATOM 5960 C CG . HIS C 3 397 ? 21.080 -26.514 -89.269 1.00 158.07 ? 375 HIS F CG 1 ATOM 5961 N ND1 . HIS C 3 397 ? 19.770 -26.916 -89.087 1.00 160.23 ? 375 HIS F ND1 1 ATOM 5962 C CD2 . HIS C 3 397 ? 21.891 -27.588 -89.127 1.00 159.73 ? 375 HIS F CD2 1 ATOM 5963 C CE1 . HIS C 3 397 ? 19.825 -28.215 -88.838 1.00 159.88 ? 375 HIS F CE1 1 ATOM 5964 N NE2 . HIS C 3 397 ? 21.080 -28.663 -88.851 1.00 159.93 ? 375 HIS F NE2 1 ATOM 5965 N N . CYS C 3 398 ? 22.227 -25.341 -86.300 1.00 153.24 ? 376 CYS F N 1 ATOM 5966 C CA . CYS C 3 398 ? 23.125 -25.899 -85.287 1.00 152.87 ? 376 CYS F CA 1 ATOM 5967 C C . CYS C 3 398 ? 22.988 -27.421 -85.226 1.00 157.17 ? 376 CYS F C 1 ATOM 5968 O O . CYS C 3 398 ? 21.873 -27.938 -85.116 1.00 157.01 ? 376 CYS F O 1 ATOM 5969 C CB . CYS C 3 398 ? 22.874 -25.266 -83.921 1.00 152.97 ? 376 CYS F CB 1 ATOM 5970 S SG . CYS C 3 398 ? 23.204 -23.486 -83.844 1.00 156.52 ? 376 CYS F SG 1 ATOM 5971 N N . ALA C 3 399 ? 24.126 -28.132 -85.295 1.00 153.85 ? 377 ALA F N 1 ATOM 5972 C CA . ALA C 3 399 ? 24.182 -29.592 -85.213 1.00 154.09 ? 377 ALA F CA 1 ATOM 5973 C C . ALA C 3 399 ? 24.816 -29.978 -83.879 1.00 158.14 ? 377 ALA F C 1 ATOM 5974 O O . ALA C 3 399 ? 25.940 -29.558 -83.586 1.00 157.42 ? 377 ALA F O 1 ATOM 5975 C CB . ALA C 3 399 ? 24.984 -30.158 -86.374 1.00 154.77 ? 377 ALA F CB 1 ATOM 5976 N N . ALA C 3 400 ? 24.078 -30.742 -83.053 1.00 155.27 ? 378 ALA F N 1 ATOM 5977 C CA . ALA C 3 400 ? 24.544 -31.134 -81.725 1.00 155.34 ? 378 ALA F CA 1 ATOM 5978 C C . ALA C 3 400 ? 24.390 -32.616 -81.403 1.00 159.90 ? 378 ALA F C 1 ATOM 5979 O O . ALA C 3 400 ? 23.325 -33.198 -81.625 1.00 159.83 ? 378 ALA F O 1 ATOM 5980 C CB . ALA C 3 400 ? 23.845 -30.298 -80.664 1.00 156.03 ? 378 ALA F CB 1 ATOM 5981 N N . GLU C 3 401 ? 25.462 -33.212 -80.856 1.00 156.75 ? 379 GLU F N 1 ATOM 5982 C CA . GLU C 3 401 ? 25.497 -34.599 -80.399 1.00 157.30 ? 379 GLU F CA 1 ATOM 5983 C C . GLU C 3 401 ? 25.560 -34.529 -78.872 1.00 161.55 ? 379 GLU F C 1 ATOM 5984 O O . GLU C 3 401 ? 26.627 -34.289 -78.299 1.00 161.01 ? 379 GLU F O 1 ATOM 5985 C CB . GLU C 3 401 ? 26.701 -35.356 -80.991 1.00 158.68 ? 379 GLU F CB 1 ATOM 5986 C CG . GLU C 3 401 ? 26.667 -36.854 -80.724 1.00 169.88 ? 379 GLU F CG 1 ATOM 5987 C CD . GLU C 3 401 ? 27.957 -37.603 -80.997 1.00 189.77 ? 379 GLU F CD 1 ATOM 5988 O OE1 . GLU C 3 401 ? 27.904 -38.624 -81.720 1.00 184.00 ? 379 GLU F OE1 1 ATOM 5989 O OE2 . GLU C 3 401 ? 29.016 -37.189 -80.471 1.00 183.36 ? 379 GLU F OE2 1 ATOM 5990 N N . CYS C 3 402 ? 24.395 -34.664 -78.225 1.00 158.60 ? 380 CYS F N 1 ATOM 5991 C CA . CYS C 3 402 ? 24.261 -34.571 -76.773 1.00 158.81 ? 380 CYS F CA 1 ATOM 5992 C C . CYS C 3 402 ? 24.315 -35.938 -76.104 1.00 163.55 ? 380 CYS F C 1 ATOM 5993 O O . CYS C 3 402 ? 23.739 -36.901 -76.615 1.00 163.55 ? 380 CYS F O 1 ATOM 5994 C CB . CYS C 3 402 ? 23.004 -33.794 -76.395 1.00 158.95 ? 380 CYS F CB 1 ATOM 5995 S SG . CYS C 3 402 ? 22.826 -32.213 -77.267 1.00 161.91 ? 380 CYS F SG 1 ATOM 5996 N N . HIS C 3 403 ? 25.033 -36.020 -74.971 1.00 160.49 ? 381 HIS F N 1 ATOM 5997 C CA . HIS C 3 403 ? 25.237 -37.263 -74.223 1.00 161.26 ? 381 HIS F CA 1 ATOM 5998 C C . HIS C 3 403 ? 24.423 -37.350 -72.931 1.00 165.59 ? 381 HIS F C 1 ATOM 5999 O O . HIS C 3 403 ? 23.957 -36.339 -72.411 1.00 164.72 ? 381 HIS F O 1 ATOM 6000 C CB . HIS C 3 403 ? 26.733 -37.484 -73.945 1.00 162.19 ? 381 HIS F CB 1 ATOM 6001 C CG . HIS C 3 403 ? 27.583 -37.444 -75.179 1.00 164.97 ? 381 HIS F CG 1 ATOM 6002 N ND1 . HIS C 3 403 ? 28.393 -36.359 -75.462 1.00 165.98 ? 381 HIS F ND1 1 ATOM 6003 C CD2 . HIS C 3 403 ? 27.696 -38.346 -76.182 1.00 166.77 ? 381 HIS F CD2 1 ATOM 6004 C CE1 . HIS C 3 403 ? 28.983 -36.642 -76.612 1.00 164.99 ? 381 HIS F CE1 1 ATOM 6005 N NE2 . HIS C 3 403 ? 28.593 -37.826 -77.084 1.00 165.77 ? 381 HIS F NE2 1 HETATM 6006 C C1 . NAG D 4 . ? -5.911 -16.264 -30.456 1.00 78.96 ? 1001 NAG B C1 1 HETATM 6007 C C2 . NAG D 4 . ? -6.412 -14.848 -29.997 1.00 80.69 ? 1001 NAG B C2 1 HETATM 6008 C C3 . NAG D 4 . ? -7.498 -14.201 -30.915 1.00 82.16 ? 1001 NAG B C3 1 HETATM 6009 C C4 . NAG D 4 . ? -7.339 -14.543 -32.435 1.00 82.72 ? 1001 NAG B C4 1 HETATM 6010 C C5 . NAG D 4 . ? -7.134 -16.069 -32.570 1.00 81.95 ? 1001 NAG B C5 1 HETATM 6011 C C6 . NAG D 4 . ? -6.992 -16.558 -34.026 1.00 83.17 ? 1001 NAG B C6 1 HETATM 6012 C C7 . NAG D 4 . ? -6.051 -14.246 -27.573 1.00 83.19 ? 1001 NAG B C7 1 HETATM 6013 C C8 . NAG D 4 . ? -6.693 -14.328 -26.215 1.00 83.99 ? 1001 NAG B C8 1 HETATM 6014 N N2 . NAG D 4 . ? -6.813 -14.800 -28.579 1.00 81.69 ? 1001 NAG B N2 1 HETATM 6015 O O3 . NAG D 4 . ? -7.396 -12.780 -30.685 1.00 84.26 ? 1001 NAG B O3 1 HETATM 6016 O O4 . NAG D 4 . ? -8.416 -14.138 -33.337 1.00 85.18 ? 1001 NAG B O4 1 HETATM 6017 O O5 . NAG D 4 . ? -5.925 -16.434 -31.887 1.00 80.26 ? 1001 NAG B O5 1 HETATM 6018 O O6 . NAG D 4 . ? -6.830 -17.981 -34.081 1.00 85.24 ? 1001 NAG B O6 1 HETATM 6019 O O7 . NAG D 4 . ? -4.946 -13.728 -27.749 1.00 85.20 ? 1001 NAG B O7 1 HETATM 6020 C C1 . NDG E 5 . ? -9.466 -13.243 -32.922 1.00 85.32 ? 1002 NDG B C1 1 HETATM 6021 C C2 . NDG E 5 . ? -10.829 -13.695 -33.528 1.00 87.07 ? 1002 NDG B C2 1 HETATM 6022 C C3 . NDG E 5 . ? -11.897 -12.834 -32.811 1.00 88.51 ? 1002 NDG B C3 1 HETATM 6023 C C4 . NDG E 5 . ? -11.654 -11.299 -32.956 1.00 89.09 ? 1002 NDG B C4 1 HETATM 6024 C C5 . NDG E 5 . ? -10.149 -10.877 -33.057 1.00 88.30 ? 1002 NDG B C5 1 HETATM 6025 C C6 . NDG E 5 . ? -9.660 -9.969 -31.910 1.00 89.54 ? 1002 NDG B C6 1 HETATM 6026 C C7 . NDG E 5 . ? -10.213 -14.135 -35.964 1.00 89.57 ? 1002 NDG B C7 1 HETATM 6027 C C8 . NDG E 5 . ? -10.554 -13.696 -37.363 1.00 90.38 ? 1002 NDG B C8 1 HETATM 6028 O O . NDG E 5 . ? -9.159 -11.908 -33.359 1.00 86.63 ? 1002 NDG B O 1 HETATM 6029 O O3 . NDG E 5 . ? -11.991 -13.225 -31.424 1.00 90.62 ? 1002 NDG B O3 1 HETATM 6030 O O4 . NDG E 5 . ? -12.362 -10.827 -34.119 1.00 91.50 ? 1002 NDG B O4 1 HETATM 6031 O O6 . NDG E 5 . ? -9.181 -10.725 -30.795 1.00 91.62 ? 1002 NDG B O6 1 HETATM 6032 O O7 . NDG E 5 . ? -9.363 -14.995 -35.734 1.00 91.57 ? 1002 NDG B O7 1 HETATM 6033 N N2 . NDG E 5 . ? -10.938 -13.484 -34.989 1.00 88.06 ? 1002 NDG B N2 1 HETATM 6034 C C1 . NAG F 4 . ? 16.569 -12.711 -63.985 1.00 115.47 ? 1001 NAG F C1 1 HETATM 6035 C C2 . NAG F 4 . ? 16.211 -14.172 -63.555 1.00 117.21 ? 1001 NAG F C2 1 HETATM 6036 C C3 . NAG F 4 . ? 17.498 -15.052 -63.716 1.00 118.66 ? 1001 NAG F C3 1 HETATM 6037 C C4 . NAG F 4 . ? 18.348 -14.779 -64.996 1.00 119.23 ? 1001 NAG F C4 1 HETATM 6038 C C5 . NAG F 4 . ? 18.449 -13.259 -65.295 1.00 118.44 ? 1001 NAG F C5 1 HETATM 6039 C C6 . NAG F 4 . ? 19.138 -12.957 -66.635 1.00 119.69 ? 1001 NAG F C6 1 HETATM 6040 C C7 . NAG F 4 . ? 15.073 -15.315 -61.590 1.00 119.73 ? 1001 NAG F C7 1 HETATM 6041 C C8 . NAG F 4 . ? 14.661 -15.089 -60.159 1.00 120.54 ? 1001 NAG F C8 1 HETATM 6042 N N2 . NAG F 4 . ? 15.702 -14.232 -62.168 1.00 118.22 ? 1001 NAG F N2 1 HETATM 6043 O O3 . NAG F 4 . ? 17.162 -16.453 -63.656 1.00 120.75 ? 1001 NAG F O3 1 HETATM 6044 O O4 . NAG F 4 . ? 19.676 -15.296 -64.780 1.00 121.64 ? 1001 NAG F O4 1 HETATM 6045 O O5 . NAG F 4 . ? 17.148 -12.628 -65.288 1.00 116.78 ? 1001 NAG F O5 1 HETATM 6046 O O6 . NAG F 4 . ? 19.729 -11.655 -66.616 1.00 121.77 ? 1001 NAG F O6 1 HETATM 6047 O O7 . NAG F 4 . ? 14.861 -16.379 -62.177 1.00 121.75 ? 1001 NAG F O7 1 HETATM 6048 O O . HOH G 6 . ? 3.192 -33.525 -48.311 1.00 46.71 ? 361 HOH B O 1 HETATM 6049 O O . HOH G 6 . ? -8.151 -17.777 -6.989 1.00 32.34 ? 362 HOH B O 1 HETATM 6050 O O . HOH G 6 . ? -17.225 -38.087 1.190 1.00 23.32 ? 363 HOH B O 1 HETATM 6051 O O . HOH G 6 . ? -7.978 -31.193 6.931 1.00 38.63 ? 364 HOH B O 1 HETATM 6052 O O . HOH G 6 . ? -8.130 -27.710 -27.563 1.00 31.15 ? 365 HOH B O 1 HETATM 6053 O O . HOH G 6 . ? -12.702 -33.400 -5.739 1.00 42.00 ? 366 HOH B O 1 HETATM 6054 O O . HOH G 6 . ? 4.767 -19.961 -8.814 1.00 35.50 ? 367 HOH B O 1 HETATM 6055 O O . HOH H 6 . ? -19.622 -32.739 -10.199 1.00 20.45 ? 452 HOH F O 1 HETATM 6056 O O . HOH H 6 . ? -31.956 -26.662 4.120 1.00 31.57 ? 453 HOH F O 1 HETATM 6057 O O . HOH H 6 . ? -8.849 -20.366 -35.923 1.00 42.65 ? 454 HOH F O 1 HETATM 6058 O O . HOH H 6 . ? -28.736 -25.966 1.550 1.00 58.65 ? 455 HOH F O 1 HETATM 6059 O O . HOH H 6 . ? -35.291 -30.520 -16.789 1.00 36.70 ? 456 HOH F O 1 HETATM 6060 O O . HOH H 6 . ? -19.856 -37.276 -13.403 1.00 36.43 ? 457 HOH F O 1 HETATM 6061 O O . HOH H 6 . ? -32.216 -33.781 -16.477 1.00 30.41 ? 458 HOH F O 1 HETATM 6062 O O . HOH H 6 . ? -2.226 -24.604 -37.467 1.00 41.73 ? 459 HOH F O 1 HETATM 6063 O O . HOH H 6 . ? -22.032 -39.873 -23.575 1.00 46.01 ? 460 HOH F O 1 HETATM 6064 O O . HOH H 6 . ? -7.536 -26.881 -69.118 1.00 54.05 ? 461 HOH F O 1 HETATM 6065 O O . HOH H 6 . ? -4.390 -30.667 -32.350 1.00 39.79 ? 462 HOH F O 1 HETATM 6066 O O . HOH H 6 . ? -13.155 -29.902 -55.226 1.00 46.06 ? 463 HOH F O 1 HETATM 6067 O O . HOH H 6 . ? -0.357 -14.074 -55.972 1.00 33.98 ? 464 HOH F O 1 HETATM 6068 O O . HOH H 6 . ? -1.139 -20.227 -43.238 1.00 39.25 ? 465 HOH F O 1 HETATM 6069 O O . HOH H 6 . ? -17.252 -28.820 -28.016 1.00 37.40 ? 466 HOH F O 1 HETATM 6070 O O . HOH H 6 . ? -20.669 -41.844 2.735 1.00 36.79 ? 467 HOH F 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 . PRO A 6 ? 1.2041 0.7630 1.0983 0.0549 -0.0057 -0.1643 5 PRO A N 2 C CA . PRO A 6 ? 1.1838 0.7609 1.0990 0.0495 0.0036 -0.1574 5 PRO A CA 3 C C . PRO A 6 ? 1.2154 0.8106 1.1511 0.0553 -0.0072 -0.1581 5 PRO A C 4 O O . PRO A 6 ? 1.2166 0.8040 1.1486 0.0640 -0.0218 -0.1639 5 PRO A O 5 C CB . PRO A 6 ? 1.1807 0.7894 1.1227 0.0376 0.0119 -0.1527 5 PRO A CB 6 C CG . PRO A 6 ? 1.2305 0.8484 1.1749 0.0397 0.0022 -0.1573 5 PRO A CG 7 C CD . PRO A 6 ? 1.2064 0.7883 1.1154 0.0485 -0.0050 -0.1638 5 PRO A CD 8 N N . VAL A 7 ? 1.1515 0.7701 1.1097 0.0501 -0.0009 -0.1524 6 VAL A N 9 C CA . VAL A 7 ? 1.1332 0.7683 1.1106 0.0531 -0.0102 -0.1518 6 VAL A CA 10 C C . VAL A 7 ? 1.1494 0.8234 1.1607 0.0493 -0.0137 -0.1524 6 VAL A C 11 O O . VAL A 7 ? 1.1267 0.8207 1.1510 0.0421 -0.0052 -0.1499 6 VAL A O 12 C CB . VAL A 7 ? 1.1844 0.8163 1.1594 0.0521 -0.0027 -0.1457 6 VAL A CB 13 C CG1 . VAL A 7 ? 1.1615 0.8199 1.1565 0.0426 0.0118 -0.1406 6 VAL A CG1 14 C CG2 . VAL A 7 ? 1.1753 0.8133 1.1609 0.0559 -0.0156 -0.1454 6 VAL A CG2 15 N N . MET A 8 ? 1.1021 0.7835 1.1268 0.0548 -0.0264 -0.1555 7 MET A N 16 C CA . MET A 8 ? 1.0768 0.7911 1.1319 0.0534 -0.0272 -0.1554 7 MET A CA 17 C C . MET A 8 ? 1.1081 0.8459 1.1895 0.0493 -0.0277 -0.1512 7 MET A C 18 O O . MET A 8 ? 1.1087 0.8374 1.1902 0.0507 -0.0366 -0.1503 7 MET A O 19 C CB . MET A 8 ? 1.1149 0.8270 1.1743 0.0622 -0.0380 -0.1608 7 MET A CB 20 C CG . MET A 8 ? 1.1688 0.8753 1.2133 0.0651 -0.0340 -0.1639 7 MET A CG 21 S SD . MET A 8 ? 1.2504 0.9162 1.2501 0.0642 -0.0307 -0.1662 7 MET A SD 22 C CE . MET A 8 ? 1.1986 0.8769 1.1983 0.0562 -0.0192 -0.1630 7 MET A CE 23 N N . CYS A 9 ? 1.0474 0.8106 1.1468 0.0447 -0.0192 -0.1487 8 CYS A N 24 C CA . CYS A 9 ? 1.0294 0.8141 1.1514 0.0402 -0.0172 -0.1447 8 CYS A CA 25 C C . CYS A 9 ? 1.0750 0.8806 1.2207 0.0429 -0.0149 -0.1444 8 CYS A C 26 O O . CYS A 9 ? 1.0742 0.8781 1.2153 0.0485 -0.0131 -0.1470 8 CYS A O 27 C CB . CYS A 9 ? 1.0234 0.8134 1.1404 0.0339 -0.0077 -0.1420 8 CYS A CB 28 S SG . CYS A 9 ? 1.0772 0.8530 1.1798 0.0317 -0.0086 -0.1395 8 CYS A SG 29 N N . LEU A 10 ? 1.0271 0.8503 1.1966 0.0395 -0.0138 -0.1407 9 LEU A N 30 C CA . LEU A 10 ? 1.0228 0.8665 1.2181 0.0422 -0.0076 -0.1387 9 LEU A CA 31 C C . LEU A 10 ? 1.0711 0.9261 1.2702 0.0383 0.0064 -0.1344 9 LEU A C 32 O O . LEU A 10 ? 1.0614 0.9140 1.2542 0.0317 0.0070 -0.1326 9 LEU A O 33 C CB . LEU A 10 ? 1.0243 0.8787 1.2511 0.0432 -0.0182 -0.1378 9 LEU A CB 34 C CG . LEU A 10 ? 1.0823 0.9384 1.3220 0.0351 -0.0262 -0.1341 9 LEU A CG 35 C CD1 . LEU A 10 ? 1.0794 0.9604 1.3618 0.0322 -0.0239 -0.1292 9 LEU A CD1 36 C CD2 . LEU A 10 ? 1.1280 0.9611 1.3548 0.0370 -0.0456 -0.1372 9 LEU A CD2 37 N N . LEU A 11 ? 1.0362 0.8992 1.2410 0.0443 0.0176 -0.1331 10 LEU A N 38 C CA . LEU A 11 ? 1.0385 0.9051 1.2411 0.0440 0.0324 -0.1291 10 LEU A CA 39 C C . LEU A 11 ? 1.0944 0.9785 1.3253 0.0501 0.0433 -0.1248 10 LEU A C 40 O O . LEU A 11 ? 1.0985 0.9812 1.3245 0.0605 0.0491 -0.1254 10 LEU A O 41 C CB . LEU A 11 ? 1.0501 0.8983 1.2191 0.0482 0.0368 -0.1313 10 LEU A CB 42 C CG . LEU A 11 ? 1.1157 0.9541 1.2676 0.0453 0.0437 -0.1299 10 LEU A CG 43 C CD1 . LEU A 11 ? 1.1272 0.9454 1.2493 0.0468 0.0391 -0.1334 10 LEU A CD1 44 C CD2 . LEU A 11 ? 1.1609 1.0006 1.3158 0.0511 0.0599 -0.1251 10 LEU A CD2 45 N N . ALA A 12 ? 1.0480 0.9483 1.3094 0.0436 0.0459 -0.1199 11 ALA A N 46 C CA . ALA A 12 ? 1.0497 0.9720 1.3498 0.0465 0.0577 -0.1140 11 ALA A CA 47 C C . ALA A 12 ? 1.0991 1.0357 1.4264 0.0549 0.0504 -0.1160 11 ALA A C 48 O O . ALA A 12 ? 1.0875 1.0391 1.4511 0.0503 0.0382 -0.1153 11 ALA A O 49 C CB . ALA A 12 ? 1.0740 0.9915 1.3610 0.0528 0.0816 -0.1091 11 ALA A CB 50 N N . ASN A 13 ? 1.0653 0.9941 1.3730 0.0676 0.0555 -0.1189 12 ASN A N 51 C CA . ASN A 13 ? 1.0663 1.0051 1.3934 0.0783 0.0487 -0.1219 12 ASN A CA 52 C C . ASN A 13 ? 1.1189 1.0334 1.4050 0.0855 0.0372 -0.1300 12 ASN A C 53 O O . ASN A 13 ? 1.1195 1.0363 1.4137 0.0950 0.0286 -0.1342 12 ASN A O 54 C CB . ASN A 13 ? 1.0940 1.0514 1.4458 0.0899 0.0702 -0.1155 12 ASN A CB 55 C CG . ASN A 13 ? 1.4328 1.3695 1.7416 0.1012 0.0879 -0.1140 12 ASN A CG 56 O OD1 . ASN A 13 ? 1.3750 1.2881 1.6438 0.0966 0.0898 -0.1148 12 ASN A OD1 57 N ND2 . ASN A 13 ? 1.3466 1.2901 1.6626 0.1173 0.1004 -0.1116 12 ASN A ND2 58 N N . THR A 14 ? 1.0737 0.9644 1.3175 0.0808 0.0364 -0.1322 13 THR A N 59 C CA . THR A 14 ? 1.0796 0.9455 1.2844 0.0849 0.0273 -0.1385 13 THR A CA 60 C C . THR A 14 ? 1.1159 0.9667 1.3043 0.0747 0.0131 -0.1426 13 THR A C 61 O O . THR A 14 ? 1.0993 0.9529 1.2920 0.0646 0.0134 -0.1401 13 THR A O 62 C CB . THR A 14 ? 1.1979 1.0457 1.3670 0.0905 0.0385 -0.1371 13 THR A CB 63 O OG1 . THR A 14 ? 1.1843 1.0286 1.3460 0.0816 0.0450 -0.1338 13 THR A OG1 64 C CG2 . THR A 14 ? 1.1983 1.0519 1.3718 0.1057 0.0527 -0.1336 13 THR A CG2 65 N N . THR A 15 ? 1.0776 0.9097 1.2439 0.0785 0.0021 -0.1485 14 THR A N 66 C CA . THR A 15 ? 1.0735 0.8861 1.2195 0.0713 -0.0082 -0.1518 14 THR A CA 67 C C . THR A 15 ? 1.1203 0.9132 1.2318 0.0678 -0.0042 -0.1525 14 THR A C 68 O O . THR A 15 ? 1.1261 0.9104 1.2201 0.0742 -0.0010 -0.1534 14 THR A O 69 C CB . THR A 15 ? 1.1910 0.9915 1.3358 0.0770 -0.0234 -0.1575 14 THR A CB 70 O OG1 . THR A 15 ? 1.1910 0.9683 1.3124 0.0712 -0.0299 -0.1594 14 THR A OG1 71 C CG2 . THR A 15 ? 1.1940 0.9830 1.3220 0.0889 -0.0262 -0.1626 14 THR A CG2 72 N N . PHE A 16 ? 1.0647 0.8502 1.1678 0.0582 -0.0050 -0.1515 15 PHE A N 73 C CA . PHE A 16 ? 1.0647 0.8356 1.1449 0.0525 -0.0021 -0.1513 15 PHE A CA 74 C C . PHE A 16 ? 1.1071 0.8669 1.1797 0.0452 -0.0041 -0.1512 15 PHE A C 75 O O . PHE A 16 ? 1.0951 0.8601 1.1791 0.0439 -0.0065 -0.1501 15 PHE A O 76 C CB . PHE A 16 ? 1.0796 0.8603 1.1646 0.0493 0.0052 -0.1477 15 PHE A CB 77 C CG . PHE A 16 ? 1.0834 0.8783 1.1858 0.0427 0.0078 -0.1448 15 PHE A CG 78 C CD1 . PHE A 16 ? 1.1142 0.9258 1.2380 0.0445 0.0108 -0.1425 15 PHE A CD1 79 C CD2 . PHE A 16 ? 1.1058 0.8972 1.2040 0.0349 0.0076 -0.1439 15 PHE A CD2 80 C CE1 . PHE A 16 ? 1.1147 0.9352 1.2496 0.0382 0.0120 -0.1399 15 PHE A CE1 81 C CE2 . PHE A 16 ? 1.1294 0.9313 1.2393 0.0306 0.0091 -0.1418 15 PHE A CE2 82 C CZ . PHE A 16 ? 1.0989 0.9133 1.2241 0.0321 0.0107 -0.1400 15 PHE A CZ 83 N N . PRO A 17 ? 1.0688 0.8121 1.1226 0.0404 -0.0025 -0.1514 16 PRO A N 84 C CA . PRO A 17 ? 1.0675 0.8014 1.1165 0.0345 0.0000 -0.1497 16 PRO A CA 85 C C . PRO A 17 ? 1.0957 0.8471 1.1625 0.0286 0.0045 -0.1458 16 PRO A C 86 O O . PRO A 17 ? 1.0820 0.8440 1.1565 0.0251 0.0063 -0.1446 16 PRO A O 87 C CB . PRO A 17 ? 1.1060 0.8211 1.1362 0.0300 0.0024 -0.1499 16 PRO A CB 88 C CG . PRO A 17 ? 1.1631 0.8819 1.1916 0.0306 -0.0001 -0.1505 16 PRO A CG 89 C CD . PRO A 17 ? 1.1004 0.8316 1.1370 0.0400 -0.0027 -0.1522 16 PRO A CD 90 N N . CYS A 18 ? 1.0485 0.7988 1.1176 0.0291 0.0046 -0.1442 17 CYS A N 91 C CA . CYS A 18 ? 1.0326 0.7962 1.1141 0.0256 0.0077 -0.1409 17 CYS A CA 92 C C . CYS A 18 ? 1.0707 0.8417 1.1588 0.0191 0.0137 -0.1389 17 CYS A C 93 O O . CYS A 18 ? 1.0525 0.8380 1.1524 0.0171 0.0133 -0.1383 17 CYS A O 94 C CB . CYS A 18 ? 1.0462 0.7966 1.1184 0.0289 0.0065 -0.1392 17 CYS A CB 95 S SG . CYS A 18 ? 1.1016 0.8453 1.1739 0.0357 -0.0065 -0.1415 17 CYS A SG 96 N N . SER A 19 ? 1.0358 0.7952 1.1169 0.0157 0.0185 -0.1378 18 SER A N 97 C CA . SER A 19 ? 1.0293 0.7965 1.1232 0.0085 0.0225 -0.1355 18 SER A CA 98 C C . SER A 19 ? 1.0724 0.8446 1.1711 0.0055 0.0156 -0.1376 18 SER A C 99 O O . SER A 19 ? 1.0634 0.8432 1.1762 0.0000 0.0141 -0.1365 18 SER A O 100 C CB . SER A 19 ? 1.0906 0.8429 1.1780 0.0047 0.0309 -0.1327 18 SER A CB 101 O OG . SER A 19 ? 1.2174 0.9512 1.2863 0.0049 0.0278 -0.1352 18 SER A OG 102 N N . GLN A 20 ? 1.0320 0.7977 1.1183 0.0104 0.0107 -0.1405 19 GLN A N 103 C CA . GLN A 20 ? 1.0340 0.7966 1.1158 0.0108 0.0046 -0.1419 19 GLN A CA 104 C C . GLN A 20 ? 1.0746 0.8424 1.1536 0.0184 0.0036 -0.1433 19 GLN A C 105 O O . GLN A 20 ? 1.0782 0.8382 1.1449 0.0249 0.0026 -0.1447 19 GLN A O 106 C CB . GLN A 20 ? 1.0712 0.8146 1.1363 0.0091 0.0012 -0.1427 19 GLN A CB 107 C CG . GLN A 20 ? 1.3020 1.0425 1.3767 -0.0012 -0.0007 -0.1403 19 GLN A CG 108 C CD . GLN A 20 ? 1.6015 1.3220 1.6605 -0.0053 -0.0007 -0.1398 19 GLN A CD 109 O OE1 . GLN A 20 ? 1.5716 1.2750 1.6124 -0.0045 -0.0089 -0.1412 19 GLN A OE1 110 N NE2 . GLN A 20 ? 1.5121 1.2297 1.5725 -0.0083 0.0089 -0.1378 19 GLN A NE2 111 N N . PRO A 21 ? 1.0174 0.7969 1.1069 0.0184 0.0048 -0.1427 20 PRO A N 112 C CA . PRO A 21 ? 1.0143 0.7965 1.1009 0.0250 0.0069 -0.1429 20 PRO A CA 113 C C . PRO A 21 ? 1.0795 0.8452 1.1485 0.0293 0.0037 -0.1436 20 PRO A C 114 O O . PRO A 21 ? 1.0826 0.8379 1.1469 0.0249 -0.0035 -0.1443 20 PRO A O 115 C CB . PRO A 21 ? 1.0248 0.8183 1.1223 0.0226 0.0088 -0.1420 20 PRO A CB 116 C CG . PRO A 21 ? 1.0776 0.8726 1.1815 0.0164 0.0055 -0.1421 20 PRO A CG 117 C CD . PRO A 21 ? 1.0267 0.8158 1.1296 0.0132 0.0051 -0.1416 20 PRO A CD 118 N N . PRO A 22 ? 1.0440 0.8047 1.1027 0.0385 0.0085 -0.1430 21 PRO A N 119 C CA . PRO A 22 ? 1.0654 0.8023 1.0986 0.0453 0.0054 -0.1432 21 PRO A CA 120 C C . PRO A 22 ? 1.1214 0.8444 1.1444 0.0450 0.0007 -0.1439 21 PRO A C 121 O O . PRO A 22 ? 1.1401 0.8365 1.1390 0.0492 -0.0074 -0.1446 21 PRO A O 122 C CB . PRO A 22 ? 1.0959 0.8336 1.1237 0.0570 0.0159 -0.1413 21 PRO A CB 123 C CG . PRO A 22 ? 1.1303 0.8940 1.1858 0.0540 0.0236 -0.1398 21 PRO A CG 124 C CD . PRO A 22 ? 1.0558 0.8307 1.1264 0.0438 0.0168 -0.1415 21 PRO A CD 125 N N . CYS A 23 ? 1.0604 0.7971 1.0983 0.0407 0.0035 -0.1440 22 CYS A N 126 C CA . CYS A 23 ? 1.0670 0.7903 1.0951 0.0411 -0.0019 -0.1459 22 CYS A CA 127 C C . CYS A 23 ? 1.1149 0.8320 1.1479 0.0342 -0.0173 -0.1486 22 CYS A C 128 O O . CYS A 23 ? 1.1259 0.8242 1.1463 0.0366 -0.0265 -0.1512 22 CYS A O 129 C CB . CYS A 23 ? 1.0565 0.7949 1.0963 0.0394 0.0059 -0.1454 22 CYS A CB 130 S SG . CYS A 23 ? 1.0730 0.8431 1.1442 0.0298 0.0075 -0.1444 22 CYS A SG 131 N N . THR A 24 ? 1.0558 0.7872 1.1081 0.0258 -0.0200 -0.1478 23 THR A N 132 C CA . THR A 24 ? 1.0534 0.7856 1.1209 0.0173 -0.0317 -0.1488 23 THR A CA 133 C C . THR A 24 ? 1.1312 0.8334 1.1804 0.0189 -0.0482 -0.1505 23 THR A C 134 O O . THR A 24 ? 1.1469 0.8273 1.1699 0.0249 -0.0496 -0.1497 23 THR A O 135 C CB . THR A 24 ? 1.1406 0.8903 1.2286 0.0089 -0.0264 -0.1462 23 THR A CB 136 O OG1 . THR A 24 ? 1.1313 0.8909 1.2442 0.0004 -0.0322 -0.1458 23 THR A OG1 137 C CG2 . THR A 24 ? 1.1380 0.8736 1.2108 0.0090 -0.0273 -0.1452 23 THR A CG2 138 N N . PRO A 25 ? 1.0928 0.7904 1.1535 0.0150 -0.0627 -0.1529 24 PRO A N 139 C CA . PRO A 25 ? 1.0709 0.7920 1.1616 0.0099 -0.0631 -0.1543 24 PRO A CA 140 C C . PRO A 25 ? 1.1199 0.8355 1.1968 0.0179 -0.0618 -0.1578 24 PRO A C 141 O O . PRO A 25 ? 1.1368 0.8254 1.1804 0.0271 -0.0623 -0.1592 24 PRO A O 142 C CB . PRO A 25 ? 1.1052 0.8203 1.2152 0.0027 -0.0823 -0.1553 24 PRO A CB 143 C CG . PRO A 25 ? 1.1976 0.8716 1.2718 0.0088 -0.0977 -0.1571 24 PRO A CG 144 C CD . PRO A 25 ? 1.1454 0.8094 1.1878 0.0166 -0.0830 -0.1548 24 PRO A CD 145 N N . CYS A 26 ? 1.0548 0.7933 1.1546 0.0152 -0.0589 -0.1587 25 CYS A N 146 C CA . CYS A 26 ? 1.0535 0.7880 1.1415 0.0213 -0.0584 -0.1623 25 CYS A CA 147 C C . CYS A 26 ? 1.1037 0.8298 1.1650 0.0276 -0.0439 -0.1607 25 CYS A C 148 O O . CYS A 26 ? 1.1224 0.8206 1.1535 0.0354 -0.0459 -0.1631 25 CYS A O 149 C CB . CYS A 26 ? 1.0832 0.7915 1.1597 0.0259 -0.0785 -0.1685 25 CYS A CB 150 S SG . CYS A 26 ? 1.1326 0.8508 1.2485 0.0175 -0.0987 -0.1696 25 CYS A SG 151 N N . CYS A 27 ? 1.0373 0.7857 1.1104 0.0243 -0.0295 -0.1563 26 CYS A N 152 C CA . CYS A 27 ? 1.0326 0.7811 1.0930 0.0280 -0.0157 -0.1536 26 CYS A CA 153 C C . CYS A 27 ? 1.0785 0.8193 1.1251 0.0314 -0.0131 -0.1554 26 CYS A C 154 O O . CYS A 27 ? 1.0901 0.8131 1.1147 0.0370 -0.0059 -0.1547 26 CYS A O 155 C CB . CYS A 27 ? 1.0158 0.7886 1.0956 0.0234 -0.0064 -0.1495 26 CYS A CB 156 S SG . CYS A 27 ? 1.0668 0.8398 1.1499 0.0221 -0.0055 -0.1473 26 CYS A SG 157 N N . TYR A 28 ? 1.0170 0.7692 1.0746 0.0286 -0.0177 -0.1574 27 TYR A N 158 C CA . TYR A 28 ? 1.0185 0.7620 1.0606 0.0313 -0.0172 -0.1598 27 TYR A CA 159 C C . TYR A 28 ? 1.0897 0.7999 1.1035 0.0384 -0.0266 -0.1656 27 TYR A C 160 O O . TYR A 28 ? 1.1016 0.7922 1.0896 0.0425 -0.0208 -0.1664 27 TYR A O 161 C CB . TYR A 28 ? 1.0161 0.7785 1.0744 0.0286 -0.0206 -0.1604 27 TYR A CB 162 C CG . TYR A 28 ? 1.0455 0.7980 1.0845 0.0310 -0.0201 -0.1624 27 TYR A CG 163 C CD1 . TYR A 28 ? 1.0647 0.8223 1.0999 0.0281 -0.0101 -0.1578 27 TYR A CD1 164 C CD2 . TYR A 28 ? 1.0719 0.8075 1.0957 0.0362 -0.0314 -0.1692 27 TYR A CD2 165 C CE1 . TYR A 28 ? 1.0856 0.8310 1.1006 0.0291 -0.0101 -0.1591 27 TYR A CE1 166 C CE2 . TYR A 28 ? 1.0957 0.8176 1.0960 0.0389 -0.0313 -0.1715 27 TYR A CE2 167 C CZ . TYR A 28 ? 1.1825 0.9090 1.1776 0.0347 -0.0200 -0.1661 27 TYR A CZ 168 O OH . TYR A 28 ? 1.2092 0.9196 1.1791 0.0360 -0.0205 -0.1679 27 TYR A OH 169 N N . GLU A 29 ? 1.0503 0.7511 1.0678 0.0397 -0.0419 -0.1696 28 GLU A N 170 C CA . GLU A 29 ? 1.0804 0.7432 1.0686 0.0477 -0.0560 -0.1760 28 GLU A CA 171 C C . GLU A 29 ? 1.1542 0.7821 1.1049 0.0555 -0.0485 -0.1743 28 GLU A C 172 O O . GLU A 29 ? 1.1806 0.7732 1.0945 0.0637 -0.0489 -0.1778 28 GLU A O 173 C CB . GLU A 29 ? 1.1019 0.7641 1.1092 0.0461 -0.0770 -0.1799 28 GLU A CB 174 C CG . GLU A 29 ? 1.2231 0.9053 1.2568 0.0441 -0.0874 -0.1840 28 GLU A CG 175 C CD . GLU A 29 ? 1.4412 1.1675 1.5194 0.0354 -0.0800 -0.1790 28 GLU A CD 176 O OE1 . GLU A 29 ? 1.3204 1.0632 1.4059 0.0305 -0.0644 -0.1724 28 GLU A OE1 177 O OE2 . GLU A 29 ? 1.3701 1.1123 1.4751 0.0348 -0.0896 -0.1816 28 GLU A OE2 178 N N . LYS A 30 ? 1.0996 0.7350 1.0569 0.0540 -0.0405 -0.1689 29 LYS A N 179 C CA . LYS A 30 ? 1.1233 0.7289 1.0478 0.0630 -0.0309 -0.1659 29 LYS A CA 180 C C . LYS A 30 ? 1.1701 0.7750 1.0819 0.0659 -0.0086 -0.1617 29 LYS A C 181 O O . LYS A 30 ? 1.2022 0.7688 1.0750 0.0761 -0.0023 -0.1620 29 LYS A O 182 C CB . LYS A 30 ? 1.1446 0.7631 1.0827 0.0608 -0.0283 -0.1613 29 LYS A CB 183 C CG . LYS A 30 ? 1.3442 0.9468 1.2811 0.0600 -0.0499 -0.1643 29 LYS A CG 184 C CD . LYS A 30 ? 1.4655 1.0800 1.4130 0.0570 -0.0465 -0.1598 29 LYS A CD 185 C CE . LYS A 30 ? 1.6315 1.2234 1.5722 0.0560 -0.0682 -0.1617 29 LYS A CE 186 N NZ . LYS A 30 ? 1.7429 1.3442 1.6904 0.0525 -0.0650 -0.1576 29 LYS A NZ 187 N N . GLU A 31 ? 1.0872 0.7313 1.0311 0.0572 0.0031 -0.1574 30 GLU A N 188 C CA . GLU A 31 ? 1.0813 0.7321 1.0248 0.0566 0.0228 -0.1523 30 GLU A CA 189 C C . GLU A 31 ? 1.0894 0.7740 1.0625 0.0460 0.0227 -0.1514 30 GLU A C 190 O O . GLU A 31 ? 1.0556 0.7705 1.0586 0.0400 0.0253 -0.1478 30 GLU A O 191 C CB . GLU A 31 ? 1.1008 0.7575 1.0494 0.0605 0.0393 -0.1455 30 GLU A CB 192 C CG . GLU A 31 ? 1.2205 0.8950 1.1887 0.0587 0.0323 -0.1450 30 GLU A CG 193 C CD . GLU A 31 ? 1.5161 1.1730 1.4667 0.0691 0.0393 -0.1419 30 GLU A CD 194 O OE1 . GLU A 31 ? 1.4442 1.1073 1.4023 0.0681 0.0304 -0.1425 30 GLU A OE1 195 O OE2 . GLU A 31 ? 1.4782 1.1129 1.4052 0.0788 0.0546 -0.1384 30 GLU A OE2 196 N N . PRO A 32 ? 1.0471 0.7220 1.0074 0.0449 0.0178 -0.1551 31 PRO A N 197 C CA . PRO A 32 ? 1.0168 0.7180 0.9985 0.0367 0.0156 -0.1541 31 PRO A CA 198 C C . PRO A 32 ? 1.0468 0.7660 1.0448 0.0305 0.0291 -0.1469 31 PRO A C 199 O O . PRO A 32 ? 1.0164 0.7603 1.0383 0.0244 0.0256 -0.1446 31 PRO A O 200 C CB . PRO A 32 ? 1.0575 0.7369 1.0138 0.0397 0.0065 -0.1604 31 PRO A CB 201 C CG . PRO A 32 ? 1.1530 0.7922 1.0717 0.0482 0.0106 -0.1627 31 PRO A CG 202 C CD . PRO A 32 ? 1.1017 0.7365 1.0227 0.0527 0.0120 -0.1610 31 PRO A CD 203 N N . GLU A 33 ? 1.0189 0.7237 1.0043 0.0324 0.0443 -0.1429 32 GLU A N 204 C CA . GLU A 33 ? 1.0062 0.7282 1.0126 0.0256 0.0572 -0.1353 32 GLU A CA 205 C C . GLU A 33 ? 1.0209 0.7731 1.0634 0.0231 0.0589 -0.1310 32 GLU A C 206 O O . GLU A 33 ? 0.9954 0.7687 1.0619 0.0157 0.0541 -0.1283 32 GLU A O 207 C CB . GLU A 33 ? 1.0550 0.7543 1.0421 0.0289 0.0763 -0.1311 32 GLU A CB 208 C CG . GLU A 33 ? 1.1906 0.9035 1.1977 0.0191 0.0870 -0.1237 32 GLU A CG 209 C CD . GLU A 33 ? 1.4955 1.1882 1.4889 0.0212 0.1103 -0.1177 32 GLU A CD 210 O OE1 . GLU A 33 ? 1.4701 1.1239 1.4192 0.0280 0.1143 -0.1214 32 GLU A OE1 211 O OE2 . GLU A 33 ? 1.4175 1.1320 1.4449 0.0161 0.1247 -0.1090 32 GLU A OE2 212 N N . GLU A 34 ? 0.9756 0.7252 1.0174 0.0303 0.0636 -0.1307 33 GLU A N 213 C CA . GLU A 34 ? 0.9507 0.7245 1.0217 0.0298 0.0645 -0.1277 33 GLU A CA 214 C C . GLU A 34 ? 0.9632 0.7518 1.0471 0.0260 0.0488 -0.1312 33 GLU A C 215 O O . GLU A 34 ? 0.9430 0.7503 1.0504 0.0240 0.0474 -0.1291 33 GLU A O 216 C CB . GLU A 34 ? 0.9854 0.7495 1.0482 0.0400 0.0757 -0.1257 33 GLU A CB 217 C CG . GLU A 34 ? 1.1390 0.8818 1.1756 0.0470 0.0659 -0.1310 33 GLU A CG 218 C CD . GLU A 34 ? 1.4334 1.1626 1.4567 0.0584 0.0749 -0.1287 33 GLU A CD 219 O OE1 . GLU A 34 ? 1.4043 1.1101 1.4044 0.0671 0.0893 -0.1257 33 GLU A OE1 220 O OE2 . GLU A 34 ? 1.3484 1.0865 1.3801 0.0597 0.0680 -0.1297 33 GLU A OE2 221 N N . THR A 35 ? 0.9082 0.6872 0.9772 0.0258 0.0375 -0.1364 34 THR A N 222 C CA . THR A 35 ? 0.8820 0.6731 0.9624 0.0226 0.0262 -0.1387 34 THR A CA 223 C C . THR A 35 ? 0.9054 0.7093 0.9985 0.0169 0.0232 -0.1362 34 THR A C 224 O O . THR A 35 ? 0.8881 0.7032 0.9956 0.0153 0.0197 -0.1348 34 THR A O 225 C CB . THR A 35 ? 0.9859 0.7651 1.0528 0.0244 0.0165 -0.1440 34 THR A CB 226 O OG1 . THR A 35 ? 1.0016 0.7635 1.0541 0.0300 0.0162 -0.1459 34 THR A OG1 227 C CG2 . THR A 35 ? 0.9489 0.7417 1.0309 0.0212 0.0089 -0.1449 34 THR A CG2 228 N N . LEU A 36 ? 0.8585 0.6555 0.9415 0.0146 0.0236 -0.1358 35 LEU A N 229 C CA . LEU A 36 ? 0.8449 0.6474 0.9333 0.0096 0.0187 -0.1331 35 LEU A CA 230 C C . LEU A 36 ? 0.8788 0.6930 0.9897 0.0055 0.0217 -0.1276 35 LEU A C 231 O O . LEU A 36 ? 0.8656 0.6848 0.9855 0.0031 0.0132 -0.1258 35 LEU A O 232 C CB . LEU A 36 ? 0.8590 0.6468 0.9263 0.0083 0.0177 -0.1342 35 LEU A CB 233 C CG . LEU A 36 ? 0.9243 0.7001 0.9709 0.0132 0.0110 -0.1405 35 LEU A CG 234 C CD1 . LEU A 36 ? 0.9440 0.7018 0.9661 0.0127 0.0098 -0.1420 35 LEU A CD1 235 C CD2 . LEU A 36 ? 0.9420 0.7278 0.9957 0.0150 0.0026 -0.1416 35 LEU A CD2 236 N N . ARG A 37 ? 0.8361 0.6527 0.9557 0.0061 0.0335 -0.1249 36 ARG A N 237 C CA . ARG A 37 ? 0.8270 0.6590 0.9761 0.0029 0.0376 -0.1195 36 ARG A CA 238 C C . ARG A 37 ? 0.8541 0.6970 1.0187 0.0059 0.0302 -0.1208 36 ARG A C 239 O O . ARG A 37 ? 0.8432 0.6945 1.0277 0.0027 0.0220 -0.1185 36 ARG A O 240 C CB . ARG A 37 ? 0.8459 0.6779 1.0000 0.0059 0.0557 -0.1160 36 ARG A CB 241 C CG . ARG A 37 ? 1.0074 0.8270 1.1499 0.0016 0.0658 -0.1127 36 ARG A CG 242 C CD . ARG A 37 ? 1.1583 0.9932 1.3340 -0.0073 0.0698 -0.1051 36 ARG A CD 243 N NE . ARG A 37 ? 1.3086 1.1294 1.4726 -0.0115 0.0841 -0.1010 36 ARG A NE 244 C CZ . ARG A 37 ? 1.5120 1.3316 1.6828 -0.0086 0.1065 -0.0955 36 ARG A CZ 245 N NH1 . ARG A 37 ? 1.3501 1.1836 1.5401 -0.0005 0.1163 -0.0936 36 ARG A NH1 246 N NH2 . ARG A 37 ? 1.3682 1.1700 1.5235 -0.0127 0.1204 -0.0915 36 ARG A NH2 247 N N . MET A 38 ? 0.8027 0.6413 0.9552 0.0120 0.0311 -0.1248 37 MET A N 248 C CA . MET A 38 ? 0.7902 0.6330 0.9489 0.0154 0.0252 -0.1269 37 MET A CA 249 C C . MET A 38 ? 0.8275 0.6665 0.9825 0.0130 0.0129 -0.1279 37 MET A C 250 O O . MET A 38 ? 0.8203 0.6609 0.9851 0.0141 0.0059 -0.1277 37 MET A O 251 C CB . MET A 38 ? 0.8239 0.6577 0.9654 0.0206 0.0281 -0.1305 37 MET A CB 252 C CG . MET A 38 ? 0.8671 0.7009 1.0098 0.0235 0.0230 -0.1327 37 MET A CG 253 S SD . MET A 38 ? 0.9284 0.7484 1.0503 0.0268 0.0229 -0.1362 37 MET A SD 254 C CE . MET A 38 ? 0.8813 0.6980 0.9968 0.0215 0.0169 -0.1379 37 MET A CE 255 N N . LEU A 39 ? 0.7808 0.6119 0.9192 0.0114 0.0102 -0.1291 38 LEU A N 256 C CA . LEU A 39 ? 0.7771 0.6010 0.9066 0.0115 0.0016 -0.1291 38 LEU A CA 257 C C . LEU A 39 ? 0.8294 0.6502 0.9646 0.0087 -0.0071 -0.1256 38 LEU A C 258 O O . LEU A 39 ? 0.8287 0.6403 0.9599 0.0111 -0.0158 -0.1251 38 LEU A O 259 C CB . LEU A 39 ? 0.7790 0.5972 0.8919 0.0122 0.0019 -0.1308 38 LEU A CB 260 C CG . LEU A 39 ? 0.8345 0.6537 0.9446 0.0145 0.0055 -0.1342 38 LEU A CG 261 C CD1 . LEU A 39 ? 0.8395 0.6554 0.9394 0.0153 0.0044 -0.1366 38 LEU A CD1 262 C CD2 . LEU A 39 ? 0.8626 0.6801 0.9735 0.0164 0.0048 -0.1338 38 LEU A CD2 263 N N . GLU A 40 ? 0.7868 0.6119 0.9302 0.0036 -0.0052 -0.1228 39 GLU A N 264 C CA . GLU A 40 ? 0.7902 0.6127 0.9436 -0.0015 -0.0149 -0.1186 39 GLU A CA 265 C C . GLU A 40 ? 0.8384 0.6683 1.0175 -0.0011 -0.0217 -0.1174 39 GLU A C 266 O O . GLU A 40 ? 0.8418 0.6620 1.0237 -0.0025 -0.0368 -0.1155 39 GLU A O 267 C CB . GLU A 40 ? 0.8117 0.6379 0.9709 -0.0083 -0.0078 -0.1154 39 GLU A CB 268 C CG . GLU A 40 ? 0.9461 0.7576 1.0758 -0.0091 -0.0086 -0.1166 39 GLU A CG 269 C CD . GLU A 40 ? 1.1867 0.9957 1.3124 -0.0140 0.0019 -0.1150 39 GLU A CD 270 O OE1 . GLU A 40 ? 1.0853 0.9025 1.2226 -0.0132 0.0159 -0.1145 39 GLU A OE1 271 O OE2 . GLU A 40 ? 1.1174 0.9121 1.2233 -0.0173 -0.0033 -0.1142 39 GLU A OE2 272 N N . ASP A 41 ? 0.7875 0.6310 0.9827 0.0020 -0.0124 -0.1189 40 ASP A N 273 C CA . ASP A 41 ? 0.7845 0.6365 1.0050 0.0045 -0.0184 -0.1190 40 ASP A CA 274 C C . ASP A 41 ? 0.8365 0.6724 1.0406 0.0111 -0.0297 -0.1231 40 ASP A C 275 O O . ASP A 41 ? 0.8363 0.6719 1.0556 0.0141 -0.0401 -0.1242 40 ASP A O 276 C CB . ASP A 41 ? 0.8030 0.6720 1.0405 0.0080 -0.0031 -0.1190 40 ASP A CB 277 C CG . ASP A 41 ? 0.9357 0.8173 1.1901 0.0034 0.0113 -0.1138 40 ASP A CG 278 O OD1 . ASP A 41 ? 0.9460 0.8319 1.2188 -0.0045 0.0066 -0.1092 40 ASP A OD1 279 O OD2 . ASP A 41 ? 1.0130 0.8968 1.2603 0.0079 0.0272 -0.1140 40 ASP A OD2 280 N N . ASN A 42 ? 0.7925 0.6142 0.9663 0.0138 -0.0273 -0.1253 41 ASN A N 281 C CA . ASN A 42 ? 0.7979 0.6007 0.9515 0.0201 -0.0331 -0.1283 41 ASN A CA 282 C C . ASN A 42 ? 0.8582 0.6366 0.9850 0.0224 -0.0413 -0.1269 41 ASN A C 283 O O . ASN A 42 ? 0.8627 0.6234 0.9676 0.0282 -0.0401 -0.1284 41 ASN A O 284 C CB . ASN A 42 ? 0.7996 0.6053 0.9435 0.0227 -0.0210 -0.1313 41 ASN A CB 285 C CG . ASN A 42 ? 1.0630 0.8817 1.2228 0.0247 -0.0161 -0.1332 41 ASN A CG 286 O OD1 . ASN A 42 ? 0.9968 0.8093 1.1579 0.0295 -0.0221 -0.1358 41 ASN A OD1 287 N ND2 . ASN A 42 ? 0.9440 0.7769 1.1120 0.0227 -0.0054 -0.1321 41 ASN A ND2 288 N N . VAL A 43 ? 0.8183 0.5926 0.9443 0.0187 -0.0491 -0.1234 42 VAL A N 289 C CA . VAL A 43 ? 0.8348 0.5817 0.9301 0.0229 -0.0577 -0.1213 42 VAL A CA 290 C C . VAL A 43 ? 0.9085 0.6244 0.9861 0.0305 -0.0728 -0.1218 42 VAL A C 291 O O . VAL A 43 ? 0.9226 0.6112 0.9664 0.0385 -0.0726 -0.1210 42 VAL A O 292 C CB . VAL A 43 ? 0.8884 0.6330 0.9790 0.0177 -0.0633 -0.1176 42 VAL A CB 293 C CG1 . VAL A 43 ? 0.8729 0.6317 0.9586 0.0157 -0.0485 -0.1183 42 VAL A CG1 294 C CG2 . VAL A 43 ? 0.8835 0.6400 1.0046 0.0090 -0.0726 -0.1152 42 VAL A CG2 295 N N . MET A 44 ? 0.8686 0.5866 0.9683 0.0293 -0.0858 -0.1232 43 MET A N 296 C CA . MET A 44 ? 0.8946 0.5791 0.9779 0.0374 -0.1046 -0.1250 43 MET A CA 297 C C . MET A 44 ? 0.9483 0.6211 1.0153 0.0455 -0.0968 -0.1297 43 MET A C 298 O O . MET A 44 ? 0.9732 0.6074 1.0107 0.0550 -0.1085 -0.1316 43 MET A O 299 C CB . MET A 44 ? 0.9262 0.6190 1.0451 0.0329 -0.1242 -0.1251 43 MET A CB 300 C CG . MET A 44 ? 0.9723 0.6720 1.1072 0.0233 -0.1337 -0.1195 43 MET A CG 301 S SD . MET A 44 ? 1.0635 0.7130 1.1474 0.0288 -0.1518 -0.1158 43 MET A SD 302 C CE . MET A 44 ? 1.0120 0.6817 1.1197 0.0141 -0.1545 -0.1096 43 MET A CE 303 N N . ARG A 45 ? 0.8798 0.5806 0.9617 0.0422 -0.0780 -0.1316 44 ARG A N 304 C CA . ARG A 45 ? 0.8810 0.5736 0.9492 0.0475 -0.0691 -0.1356 44 ARG A CA 305 C C . ARG A 45 ? 0.9463 0.6115 0.9760 0.0531 -0.0589 -0.1339 44 ARG A C 306 O O . ARG A 45 ? 0.9312 0.6050 0.9575 0.0504 -0.0488 -0.1301 44 ARG A O 307 C CB . ARG A 45 ? 0.8573 0.5846 0.9498 0.0419 -0.0537 -0.1370 44 ARG A CB 308 C CG . ARG A 45 ? 0.9859 0.7381 1.1144 0.0395 -0.0589 -0.1383 44 ARG A CG 309 C CD . ARG A 45 ? 1.1336 0.8830 1.2626 0.0455 -0.0600 -0.1435 44 ARG A CD 310 N NE . ARG A 45 ? 1.2808 0.9982 1.3927 0.0535 -0.0777 -0.1473 44 ARG A NE 311 C CZ . ARG A 45 ? 1.4760 1.1815 1.5810 0.0608 -0.0830 -0.1531 44 ARG A CZ 312 N NH1 . ARG A 45 ? 1.3009 1.0250 1.4145 0.0610 -0.0717 -0.1551 44 ARG A NH1 313 N NH2 . ARG A 45 ? 1.3429 1.0131 1.4275 0.0692 -0.1012 -0.1572 44 ARG A NH2 314 N N . PRO A 46 ? 0.9296 0.5610 0.9301 0.0616 -0.0602 -0.1365 45 PRO A N 315 C CA . PRO A 46 ? 0.9487 0.5527 0.9136 0.0675 -0.0465 -0.1333 45 PRO A CA 316 C C . PRO A 46 ? 0.9744 0.6050 0.9515 0.0611 -0.0239 -0.1312 45 PRO A C 317 O O . PRO A 46 ? 0.9799 0.6013 0.9414 0.0639 -0.0113 -0.1266 45 PRO A O 318 C CB . PRO A 46 ? 1.0064 0.5679 0.9389 0.0772 -0.0520 -0.1373 45 PRO A CB 319 C CG . PRO A 46 ? 1.0651 0.6251 1.0124 0.0786 -0.0759 -0.1425 45 PRO A CG 320 C CD . PRO A 46 ? 0.9661 0.5795 0.9626 0.0673 -0.0737 -0.1423 45 PRO A CD 321 N N . GLY A 47 ? 0.9017 0.5634 0.9066 0.0534 -0.0201 -0.1341 46 GLY A N 322 C CA . GLY A 47 ? 0.8797 0.5650 0.8986 0.0465 -0.0038 -0.1328 46 GLY A CA 323 C C . GLY A 47 ? 0.8971 0.6155 0.9417 0.0398 -0.0019 -0.1313 46 GLY A C 324 O O . GLY A 47 ? 0.8739 0.6138 0.9354 0.0338 0.0049 -0.1322 46 GLY A O 325 N N . TYR A 48 ? 0.8516 0.5691 0.8948 0.0411 -0.0091 -0.1291 47 TYR A N 326 C CA . TYR A 48 ? 0.8280 0.5701 0.8886 0.0356 -0.0082 -0.1280 47 TYR A CA 327 C C . TYR A 48 ? 0.8724 0.6257 0.9356 0.0341 0.0043 -0.1264 47 TYR A C 328 O O . TYR A 48 ? 0.8503 0.6251 0.9309 0.0287 0.0069 -0.1280 47 TYR A O 329 C CB . TYR A 48 ? 0.8481 0.5806 0.9011 0.0373 -0.0198 -0.1256 47 TYR A CB 330 C CG . TYR A 48 ? 0.8517 0.6022 0.9136 0.0327 -0.0177 -0.1244 47 TYR A CG 331 C CD1 . TYR A 48 ? 0.8584 0.6304 0.9421 0.0258 -0.0182 -0.1259 47 TYR A CD1 332 C CD2 . TYR A 48 ? 0.8679 0.6117 0.9139 0.0367 -0.0136 -0.1220 47 TYR A CD2 333 C CE1 . TYR A 48 ? 0.8584 0.6408 0.9441 0.0223 -0.0158 -0.1255 47 TYR A CE1 334 C CE2 . TYR A 48 ? 0.8688 0.6262 0.9195 0.0335 -0.0128 -0.1222 47 TYR A CE2 335 C CZ . TYR A 48 ? 0.9429 0.7175 1.0114 0.0261 -0.0145 -0.1242 47 TYR A CZ 336 O OH . TYR A 48 ? 0.9467 0.7280 1.0134 0.0238 -0.0140 -0.1250 47 TYR A OH 337 N N . TYR A 49 ? 0.8457 0.5823 0.8917 0.0399 0.0118 -0.1230 48 TYR A N 338 C CA . TYR A 49 ? 0.8387 0.5881 0.8932 0.0394 0.0238 -0.1208 48 TYR A CA 339 C C . TYR A 49 ? 0.8811 0.6455 0.9554 0.0327 0.0318 -0.1222 48 TYR A C 340 O O . TYR A 49 ? 0.8646 0.6475 0.9573 0.0294 0.0365 -0.1218 48 TYR A O 341 C CB . TYR A 49 ? 0.8766 0.6048 0.9087 0.0491 0.0320 -0.1155 48 TYR A CB 342 C CG . TYR A 49 ? 0.9051 0.6235 0.9200 0.0549 0.0229 -0.1139 48 TYR A CG 343 C CD1 . TYR A 49 ? 0.9161 0.6540 0.9420 0.0535 0.0221 -0.1144 48 TYR A CD1 344 C CD2 . TYR A 49 ? 0.9391 0.6246 0.9240 0.0621 0.0126 -0.1123 48 TYR A CD2 345 C CE1 . TYR A 49 ? 0.9351 0.6607 0.9410 0.0584 0.0128 -0.1130 48 TYR A CE1 346 C CE2 . TYR A 49 ? 0.9612 0.6339 0.9278 0.0667 0.0018 -0.1104 48 TYR A CE2 347 C CZ . TYR A 49 ? 1.0377 0.7309 1.0142 0.0645 0.0027 -0.1105 48 TYR A CZ 348 O OH . TYR A 49 ? 1.0606 0.7381 1.0150 0.0687 -0.0086 -0.1087 48 TYR A OH 349 N N . GLN A 50 ? 0.8465 0.6013 0.9165 0.0309 0.0308 -0.1242 49 GLN A N 350 C CA . GLN A 50 ? 0.8400 0.6038 0.9238 0.0241 0.0351 -0.1256 49 GLN A CA 351 C C . GLN A 50 ? 0.8740 0.6580 0.9744 0.0190 0.0270 -0.1294 49 GLN A C 352 O O . GLN A 50 ? 0.8617 0.6573 0.9770 0.0137 0.0281 -0.1300 49 GLN A O 353 C CB . GLN A 50 ? 0.8735 0.6155 0.9400 0.0255 0.0348 -0.1272 49 GLN A CB 354 C CG . GLN A 50 ? 1.1003 0.8177 1.1481 0.0293 0.0473 -0.1231 49 GLN A CG 355 C CD . GLN A 50 ? 1.3634 1.0544 1.3892 0.0309 0.0463 -0.1257 49 GLN A CD 356 O OE1 . GLN A 50 ? 1.2964 0.9922 1.3285 0.0249 0.0448 -0.1283 49 GLN A OE1 357 N NE2 . GLN A 50 ? 1.2983 0.9555 1.2929 0.0403 0.0463 -0.1252 49 GLN A NE2 358 N N . LEU A 51 ? 0.8294 0.6150 0.9270 0.0211 0.0187 -0.1314 50 LEU A N 359 C CA . LEU A 51 ? 0.8164 0.6161 0.9247 0.0184 0.0141 -0.1339 50 LEU A CA 360 C C . LEU A 51 ? 0.8647 0.6751 0.9796 0.0171 0.0140 -0.1337 50 LEU A C 361 O O . LEU A 51 ? 0.8554 0.6725 0.9769 0.0147 0.0125 -0.1359 50 LEU A O 362 C CB . LEU A 51 ? 0.8161 0.6149 0.9237 0.0207 0.0081 -0.1347 50 LEU A CB 363 C CG . LEU A 51 ? 0.8675 0.6783 0.9846 0.0193 0.0074 -0.1359 50 LEU A CG 364 C CD1 . LEU A 51 ? 0.8720 0.6826 0.9888 0.0196 0.0096 -0.1380 50 LEU A CD1 365 C CD2 . LEU A 51 ? 0.8991 0.7125 1.0233 0.0206 0.0033 -0.1349 50 LEU A CD2 366 N N . LEU A 52 ? 0.8287 0.6363 0.9374 0.0202 0.0145 -0.1314 51 LEU A N 367 C CA . LEU A 52 ? 0.8248 0.6397 0.9357 0.0209 0.0135 -0.1317 51 LEU A CA 368 C C . LEU A 52 ? 0.8783 0.7028 1.0039 0.0191 0.0170 -0.1324 51 LEU A C 369 O O . LEU A 52 ? 0.8678 0.6992 0.9997 0.0180 0.0123 -0.1355 51 LEU A O 370 C CB . LEU A 52 ? 0.8346 0.6398 0.9308 0.0265 0.0133 -0.1285 51 LEU A CB 371 C CG . LEU A 52 ? 0.8950 0.6980 0.9811 0.0274 0.0063 -0.1289 51 LEU A CG 372 C CD1 . LEU A 52 ? 0.9095 0.7024 0.9794 0.0347 0.0069 -0.1258 51 LEU A CD1 373 C CD2 . LEU A 52 ? 0.9175 0.7309 1.0108 0.0244 0.0043 -0.1329 51 LEU A CD2 374 N N . GLN A 53 ? 0.8472 0.6700 0.9784 0.0186 0.0246 -0.1295 52 GLN A N 375 C CA . GLN A 53 ? 0.8469 0.6805 0.9995 0.0152 0.0287 -0.1286 52 GLN A CA 376 C C . GLN A 53 ? 0.8970 0.7342 1.0599 0.0089 0.0205 -0.1325 52 GLN A C 377 O O . GLN A 53 ? 0.8880 0.7339 1.0658 0.0074 0.0143 -0.1348 52 GLN A O 378 C CB . GLN A 53 ? 0.8758 0.7023 1.0292 0.0153 0.0412 -0.1235 52 GLN A CB 379 C CG . GLN A 53 ? 1.0836 0.9244 1.2654 0.0119 0.0489 -0.1202 52 GLN A CG 380 C CD . GLN A 53 ? 1.3601 1.1907 1.5400 0.0122 0.0653 -0.1139 52 GLN A CD 381 O OE1 . GLN A 53 ? 1.3198 1.1372 1.4911 0.0075 0.0672 -0.1138 52 GLN A OE1 382 N NE2 . GLN A 53 ? 1.2693 1.1029 1.4545 0.0186 0.0787 -0.1084 52 GLN A NE2 383 N N . ALA A 54 ? 0.8623 0.6897 1.0145 0.0070 0.0188 -0.1336 53 ALA A N 384 C CA . ALA A 54 ? 0.8656 0.6892 1.0188 0.0033 0.0111 -0.1366 53 ALA A CA 385 C C . ALA A 54 ? 0.9205 0.7426 1.0668 0.0060 0.0028 -0.1405 53 ALA A C 386 O O . ALA A 54 ? 0.9219 0.7394 1.0711 0.0044 -0.0056 -0.1430 53 ALA A O 387 C CB . ALA A 54 ? 0.8813 0.6930 1.0203 0.0034 0.0125 -0.1365 53 ALA A CB 388 N N . SER A 55 ? 0.8781 0.7001 1.0134 0.0102 0.0046 -0.1408 54 SER A N 389 C CA . SER A 55 ? 0.8815 0.6983 1.0063 0.0129 0.0004 -0.1437 54 SER A CA 390 C C . SER A 55 ? 0.9412 0.7593 1.0690 0.0140 -0.0057 -0.1465 54 SER A C 391 O O . SER A 55 ? 0.9453 0.7517 1.0620 0.0163 -0.0119 -0.1502 54 SER A O 392 C CB . SER A 55 ? 0.9218 0.7391 1.0384 0.0150 0.0047 -0.1421 54 SER A CB 393 O OG . SER A 55 ? 1.0302 0.8466 1.1467 0.0154 0.0080 -0.1404 54 SER A OG 394 N N . LEU A 56 ? 0.9002 0.7292 1.0398 0.0141 -0.0039 -0.1451 55 LEU A N 395 C CA . LEU A 56 ? 0.9041 0.7364 1.0488 0.0168 -0.0102 -0.1482 55 LEU A CA 396 C C . LEU A 56 ? 0.9660 0.8077 1.1371 0.0142 -0.0151 -0.1487 55 LEU A C 397 O O . LEU A 56 ? 0.9596 0.8105 1.1441 0.0171 -0.0184 -0.1501 55 LEU A O 398 C CB . LEU A 56 ? 0.9016 0.7375 1.0385 0.0212 -0.0062 -0.1465 55 LEU A CB 399 C CG . LEU A 56 ? 0.9628 0.7883 1.0767 0.0223 -0.0051 -0.1461 55 LEU A CG 400 C CD1 . LEU A 56 ? 0.9671 0.7922 1.0712 0.0264 -0.0038 -0.1438 55 LEU A CD1 401 C CD2 . LEU A 56 ? 1.0031 0.8156 1.1015 0.0234 -0.0111 -0.1510 55 LEU A CD2 402 N N . THR A 57 ? 0.9360 0.7751 1.1158 0.0087 -0.0165 -0.1476 56 THR A N 403 C CA . THR A 57 ? 0.9424 0.7885 1.1501 0.0035 -0.0231 -0.1474 56 THR A CA 404 C C . THR A 57 ? 1.0183 0.8450 1.2153 0.0031 -0.0396 -0.1524 56 THR A C 405 O O . THR A 57 ? 1.0197 0.8294 1.1918 0.0043 -0.0392 -0.1528 56 THR A O 406 C CB . THR A 57 ? 1.0427 0.8948 1.2640 -0.0031 -0.0124 -0.1414 56 THR A CB 407 O OG1 . THR A 57 ? 1.0310 0.8926 1.2535 -0.0001 0.0029 -0.1367 56 THR A OG1 408 C CG2 . THR A 57 ? 1.0302 0.8910 1.2856 -0.0109 -0.0183 -0.1397 56 THR A CG2 409 N N . CYS A 58 ? 0.9930 0.8199 1.2077 0.0030 -0.0547 -0.1562 57 CYS A N 410 C CA . CYS A 58 ? 1.0176 0.8190 1.2195 0.0042 -0.0746 -0.1615 57 CYS A CA 411 C C . CYS A 58 ? 1.0805 0.8883 1.3192 -0.0040 -0.0883 -0.1605 57 CYS A C 412 O O . CYS A 58 ? 1.0626 0.8936 1.3328 -0.0117 -0.0772 -0.1544 57 CYS A O 413 C CB . CYS A 58 ? 1.0348 0.8204 1.2159 0.0135 -0.0851 -0.1686 57 CYS A CB 414 S SG . CYS A 58 ? 1.1225 0.8609 1.2662 0.0197 -0.1070 -0.1753 57 CYS A SG 415 N N . SER A 59 ? 1.0658 0.8496 1.2989 -0.0023 -0.1124 -0.1661 58 SER A N 416 C CA . SER A 59 ? 1.0775 0.8613 1.3449 -0.0104 -0.1322 -0.1659 58 SER A CA 417 C C . SER A 59 ? 1.1342 0.9141 1.4055 -0.0209 -0.1288 -0.1595 58 SER A C 418 O O . SER A 59 ? 1.1116 0.9187 1.4138 -0.0297 -0.1126 -0.1528 58 SER A O 419 C CB . SER A 59 ? 1.1075 0.9265 1.4300 -0.0137 -0.1333 -0.1653 58 SER A CB 420 O OG . SER A 59 ? 1.2218 1.0362 1.5359 -0.0029 -0.1435 -0.1730 58 SER A OG 421 N N . PRO A 60 ? 1.1201 0.8616 1.3541 -0.0187 -0.1431 -0.1614 59 PRO A N 422 C CA . PRO A 60 ? 1.1707 0.9039 1.4017 -0.0277 -0.1414 -0.1558 59 PRO A CA 423 C C . PRO A 60 ? 1.5213 1.2611 1.7970 -0.0416 -0.1582 -0.1528 59 PRO A C 424 O O . PRO A 60 ? 1.0328 0.7765 1.3389 -0.0429 -0.1779 -0.1561 59 PRO A O 425 C CB . PRO A 60 ? 1.2166 0.9039 1.3892 -0.0176 -0.1515 -0.1589 59 PRO A CB 426 C CG . PRO A 60 ? 1.2780 0.9421 1.4338 -0.0072 -0.1697 -0.1663 59 PRO A CG 427 C CD . PRO A 60 ? 1.1837 0.8828 1.3713 -0.0065 -0.1604 -0.1683 59 PRO A CD 428 N N . ASN B 5 ? 0.7872 0.7309 1.1769 -0.0084 0.0026 -0.1282 5 ASN B N 429 C CA . ASN B 5 ? 0.7833 0.7234 1.1603 0.0003 -0.0144 -0.1368 5 ASN B CA 430 C C . ASN B 5 ? 0.8259 0.7428 1.1484 0.0070 -0.0155 -0.1411 5 ASN B C 431 O O . ASN B 5 ? 0.8257 0.7265 1.1274 0.0092 -0.0322 -0.1486 5 ASN B O 432 C CB . ASN B 5 ? 0.8080 0.7464 1.2086 -0.0043 -0.0406 -0.1433 5 ASN B CB 433 C CG . ASN B 5 ? 1.1438 1.0560 1.5212 -0.0114 -0.0547 -0.1463 5 ASN B CG 434 O OD1 . ASN B 5 ? 1.0816 0.9908 1.4636 -0.0207 -0.0482 -0.1410 5 ASN B OD1 435 N ND2 . ASN B 5 ? 1.0591 0.9481 1.4089 -0.0061 -0.0747 -0.1548 5 ASN B ND2 436 N N . PHE B 6 ? 0.7745 0.6877 1.0742 0.0105 0.0025 -0.1359 6 PHE B N 437 C CA . PHE B 6 ? 0.7686 0.6638 1.0246 0.0158 0.0033 -0.1381 6 PHE B CA 438 C C . PHE B 6 ? 0.8077 0.7050 1.0528 0.0261 0.0014 -0.1405 6 PHE B C 439 O O . PHE B 6 ? 0.8026 0.7133 1.0634 0.0318 0.0111 -0.1364 6 PHE B O 440 C CB . PHE B 6 ? 0.7934 0.6810 1.0331 0.0151 0.0197 -0.1315 6 PHE B CB 441 C CG . PHE B 6 ? 0.8173 0.6937 1.0253 0.0233 0.0261 -0.1297 6 PHE B CG 442 C CD1 . PHE B 6 ? 0.8558 0.7181 1.0356 0.0238 0.0187 -0.1332 6 PHE B CD1 443 C CD2 . PHE B 6 ? 0.8535 0.7305 1.0594 0.0305 0.0401 -0.1236 6 PHE B CD2 444 C CE1 . PHE B 6 ? 0.8728 0.7233 1.0262 0.0297 0.0216 -0.1311 6 PHE B CE1 445 C CE2 . PHE B 6 ? 0.8980 0.7581 1.0700 0.0385 0.0427 -0.1217 6 PHE B CE2 446 C CZ . PHE B 6 ? 0.8710 0.7185 1.0186 0.0371 0.0318 -0.1256 6 PHE B CZ 447 N N . ASN B 7 ? 0.7604 0.6427 0.9771 0.0290 -0.0099 -0.1468 7 ASN B N 448 C CA . ASN B 7 ? 0.7605 0.6388 0.9595 0.0382 -0.0142 -0.1501 7 ASN B CA 449 C C . ASN B 7 ? 0.8035 0.6624 0.9626 0.0391 -0.0131 -0.1502 7 ASN B C 450 O O . ASN B 7 ? 0.8002 0.6456 0.9437 0.0354 -0.0197 -0.1540 7 ASN B O 451 C CB . ASN B 7 ? 0.7817 0.6577 0.9885 0.0406 -0.0322 -0.1588 7 ASN B CB 452 C CG . ASN B 7 ? 1.1022 0.9722 1.2910 0.0509 -0.0395 -0.1640 7 ASN B CG 453 O OD1 . ASN B 7 ? 1.0458 0.9043 1.2026 0.0552 -0.0347 -0.1627 7 ASN B OD1 454 N ND2 . ASN B 7 ? 1.0066 0.8796 1.2122 0.0551 -0.0544 -0.1709 7 ASN B ND2 455 N N . VAL B 8 ? 0.7568 0.6125 0.8995 0.0444 -0.0048 -0.1455 8 VAL B N 456 C CA . VAL B 8 ? 0.7557 0.5938 0.8653 0.0444 -0.0055 -0.1444 8 VAL B CA 457 C C . VAL B 8 ? 0.8051 0.6301 0.8909 0.0476 -0.0161 -0.1504 8 VAL B C 458 O O . VAL B 8 ? 0.8044 0.6150 0.8684 0.0440 -0.0182 -0.1507 8 VAL B O 459 C CB . VAL B 8 ? 0.8112 0.6432 0.9076 0.0494 0.0035 -0.1372 8 VAL B CB 460 C CG1 . VAL B 8 ? 0.8211 0.6488 0.9024 0.0607 0.0031 -0.1363 8 VAL B CG1 461 C CG2 . VAL B 8 ? 0.8112 0.6277 0.8866 0.0450 0.0017 -0.1350 8 VAL B CG2 462 N N . TYR B 9 ? 0.7588 0.5883 0.8505 0.0543 -0.0226 -0.1552 9 TYR B N 463 C CA . TYR B 9 ? 0.7671 0.5807 0.8334 0.0593 -0.0337 -0.1621 9 TYR B CA 464 C C . TYR B 9 ? 0.8122 0.6110 0.8696 0.0548 -0.0423 -0.1689 9 TYR B C 465 O O . TYR B 9 ? 0.8243 0.6028 0.8534 0.0585 -0.0504 -0.1747 9 TYR B O 466 C CB . TYR B 9 ? 0.7892 0.6116 0.8641 0.0705 -0.0385 -0.1653 9 TYR B CB 467 C CG . TYR B 9 ? 0.8145 0.6424 0.8850 0.0783 -0.0282 -0.1579 9 TYR B CG 468 C CD1 . TYR B 9 ? 0.8551 0.6625 0.8854 0.0841 -0.0302 -0.1565 9 TYR B CD1 469 C CD2 . TYR B 9 ? 0.8155 0.6647 0.9185 0.0804 -0.0160 -0.1516 9 TYR B CD2 470 C CE1 . TYR B 9 ? 0.8748 0.6796 0.8933 0.0934 -0.0220 -0.1493 9 TYR B CE1 471 C CE2 . TYR B 9 ? 0.8361 0.6836 0.9284 0.0900 -0.0045 -0.1440 9 TYR B CE2 472 C CZ . TYR B 9 ? 0.9486 0.7724 0.9966 0.0974 -0.0083 -0.1431 9 TYR B CZ 473 O OH . TYR B 9 ? 0.9759 0.7909 1.0063 0.1090 0.0018 -0.1353 9 TYR B OH 474 N N . LYS B 10 ? 0.7632 0.5952 0.7933 -0.0203 -0.0156 -0.2090 10 LYS B N 475 C CA . LYS B 10 ? 0.7786 0.6206 0.8001 -0.0145 -0.0128 -0.2306 10 LYS B CA 476 C C . LYS B 10 ? 0.8030 0.6627 0.8240 0.0108 -0.0151 -0.2152 10 LYS B C 477 O O . LYS B 10 ? 0.7875 0.6871 0.8056 0.0167 -0.0184 -0.2212 10 LYS B O 478 C CB . LYS B 10 ? 0.8651 0.6477 0.8763 -0.0161 0.0011 -0.2498 10 LYS B CB 479 C CG . LYS B 10 ? 1.0583 0.8242 1.0670 -0.0447 0.0070 -0.2775 10 LYS B CG 480 C CD . LYS B 10 ? 1.2309 0.9207 1.2277 -0.0432 0.0240 -0.2891 10 LYS B CD 481 C CE . LYS B 10 ? 1.4074 1.0734 1.3997 -0.0741 0.0333 -0.3229 10 LYS B CE 482 N NZ . LYS B 10 ? 1.5720 1.1529 1.5550 -0.0797 0.0515 -0.3234 10 LYS B NZ 483 N N . ALA B 11 ? 0.7529 0.5856 0.7764 0.0252 -0.0125 -0.1954 11 ALA B N 484 C CA . ALA B 11 ? 0.7337 0.5820 0.7595 0.0478 -0.0135 -0.1807 11 ALA B CA 485 C C . ALA B 11 ? 0.7333 0.6227 0.7690 0.0472 -0.0229 -0.1599 11 ALA B C 486 O O . ALA B 11 ? 0.7120 0.6340 0.7496 0.0573 -0.0243 -0.1548 11 ALA B O 487 C CB . ALA B 11 ? 0.7661 0.5716 0.7895 0.0637 -0.0067 -0.1704 11 ALA B CB 488 N N . THR B 12 ? 0.6699 0.5561 0.7113 0.0350 -0.0278 -0.1484 12 THR B N 489 C CA . THR B 12 ? 0.6299 0.5457 0.6790 0.0337 -0.0351 -0.1299 12 THR B CA 490 C C . THR B 12 ? 0.6619 0.6135 0.7097 0.0253 -0.0397 -0.1333 12 THR B C 491 O O . THR B 12 ? 0.6712 0.6289 0.7138 0.0175 -0.0392 -0.1507 12 THR B O 492 C CB . THR B 12 ? 0.7261 0.6226 0.7801 0.0286 -0.0373 -0.1162 12 THR B CB 493 O OG1 . THR B 12 ? 0.7316 0.6182 0.7849 0.0129 -0.0374 -0.1240 12 THR B OG1 494 C CG2 . THR B 12 ? 0.7269 0.5936 0.7797 0.0408 -0.0329 -0.1094 12 THR B CG2 495 N N . ARG B 13 ? 0.5923 0.5678 0.6437 0.0273 -0.0435 -0.1168 13 ARG B N 496 C CA . ARG B 13 ? 0.5793 0.5872 0.6268 0.0245 -0.0468 -0.1140 13 ARG B CA 497 C C . ARG B 13 ? 0.6043 0.6169 0.6555 0.0239 -0.0495 -0.0936 13 ARG B C 498 O O . ARG B 13 ? 0.5890 0.5894 0.6460 0.0258 -0.0483 -0.0829 13 ARG B O 499 C CB . ARG B 13 ? 0.5884 0.6238 0.6289 0.0326 -0.0437 -0.1183 13 ARG B CB 500 C CG . ARG B 13 ? 0.7029 0.7449 0.7474 0.0404 -0.0399 -0.1045 13 ARG B CG 501 C CD . ARG B 13 ? 0.8232 0.8992 0.8600 0.0463 -0.0361 -0.1042 13 ARG B CD 502 N NE . ARG B 13 ? 0.9100 0.9976 0.9519 0.0479 -0.0318 -0.0869 13 ARG B NE 503 C CZ . ARG B 13 ? 1.0853 1.2022 1.1213 0.0511 -0.0263 -0.0804 13 ARG B CZ 504 N NH1 . ARG B 13 ? 0.9423 1.0826 0.9654 0.0558 -0.0256 -0.0893 13 ARG B NH1 505 N NH2 . ARG B 13 ? 0.9001 1.0252 0.9425 0.0481 -0.0209 -0.0653 13 ARG B NH2 506 N N . PRO B 14 ? 0.5545 0.5864 0.6017 0.0225 -0.0525 -0.0886 14 PRO B N 507 C CA . PRO B 14 ? 0.5416 0.5712 0.5895 0.0245 -0.0527 -0.0692 14 PRO B CA 508 C C . PRO B 14 ? 0.5910 0.6298 0.6351 0.0295 -0.0474 -0.0572 14 PRO B C 509 O O . PRO B 14 ? 0.5938 0.6515 0.6329 0.0333 -0.0449 -0.0630 14 PRO B O 510 C CB . PRO B 14 ? 0.5657 0.6162 0.6084 0.0263 -0.0564 -0.0682 14 PRO B CB 511 C CG . PRO B 14 ? 0.6324 0.7104 0.6690 0.0264 -0.0579 -0.0842 14 PRO B CG 512 C CD . PRO B 14 ? 0.5819 0.6412 0.6226 0.0208 -0.0555 -0.1006 14 PRO B CD 513 N N . TYR B 15 ? 0.5412 0.5667 0.5875 0.0279 -0.0445 -0.0419 15 TYR B N 514 C CA . TYR B 15 ? 0.5430 0.5750 0.5872 0.0278 -0.0373 -0.0307 15 TYR B CA 515 C C . TYR B 15 ? 0.6057 0.6245 0.6443 0.0268 -0.0319 -0.0125 15 TYR B C 516 O O . TYR B 15 ? 0.6015 0.6044 0.6387 0.0281 -0.0345 -0.0087 15 TYR B O 517 C CB . TYR B 15 ? 0.5481 0.5769 0.6039 0.0233 -0.0356 -0.0356 15 TYR B CB 518 C CG . TYR B 15 ? 0.5579 0.5650 0.6229 0.0174 -0.0387 -0.0354 15 TYR B CG 519 C CD1 . TYR B 15 ? 0.5756 0.5705 0.6441 0.0190 -0.0445 -0.0448 15 TYR B CD1 520 C CD2 . TYR B 15 ? 0.5687 0.5676 0.6378 0.0092 -0.0348 -0.0264 15 TYR B CD2 521 C CE1 . TYR B 15 ? 0.5787 0.5578 0.6533 0.0152 -0.0471 -0.0434 15 TYR B CE1 522 C CE2 . TYR B 15 ? 0.5731 0.5573 0.6492 0.0039 -0.0382 -0.0285 15 TYR B CE2 523 C CZ . TYR B 15 ? 0.6593 0.6358 0.7376 0.0083 -0.0448 -0.0362 15 TYR B CZ 524 O OH . TYR B 15 ? 0.6734 0.6393 0.7564 0.0046 -0.0479 -0.0371 15 TYR B OH 525 N N . LEU B 16 ? 0.5764 0.6005 0.6110 0.0244 -0.0229 -0.0014 16 LEU B N 526 C CA . LEU B 16 ? 0.5947 0.5985 0.6223 0.0211 -0.0137 0.0167 16 LEU B CA 527 C C . LEU B 16 ? 0.6436 0.6333 0.6842 0.0052 -0.0093 0.0148 16 LEU B C 528 O O . LEU B 16 ? 0.6306 0.6409 0.6808 -0.0006 -0.0080 0.0083 16 LEU B O 529 C CB . LEU B 16 ? 0.6179 0.6370 0.6307 0.0267 -0.0040 0.0316 16 LEU B CB 530 C CG . LEU B 16 ? 0.6873 0.7253 0.6835 0.0440 -0.0072 0.0374 16 LEU B CG 531 C CD1 . LEU B 16 ? 0.7056 0.7728 0.6892 0.0495 0.0001 0.0457 16 LEU B CD1 532 C CD2 . LEU B 16 ? 0.7412 0.7543 0.7255 0.0533 -0.0038 0.0544 16 LEU B CD2 533 N N . ALA B 17 ? 0.6099 0.5689 0.6512 -0.0011 -0.0074 0.0185 17 ALA B N 534 C CA . ALA B 17 ? 0.6106 0.5589 0.6638 -0.0183 -0.0039 0.0138 17 ALA B CA 535 C C . ALA B 17 ? 0.6952 0.6056 0.7400 -0.0264 0.0069 0.0245 17 ALA B C 536 O O . ALA B 17 ? 0.7077 0.5967 0.7378 -0.0140 0.0094 0.0354 17 ALA B O 537 C CB . ALA B 17 ? 0.5962 0.5464 0.6610 -0.0187 -0.0153 -0.0011 17 ALA B CB 538 N N . HIS B 18 ? 0.6656 0.5687 0.7194 -0.0470 0.0140 0.0205 18 HIS B N 539 C CA . HIS B 18 ? 0.7024 0.5635 0.7486 -0.0597 0.0269 0.0270 18 HIS B CA 540 C C . HIS B 18 ? 0.7647 0.5931 0.8053 -0.0528 0.0225 0.0224 18 HIS B C 541 O O . HIS B 18 ? 0.7308 0.5722 0.7813 -0.0517 0.0104 0.0081 18 HIS B O 542 C CB . HIS B 18 ? 0.7218 0.5903 0.7822 -0.0878 0.0346 0.0181 18 HIS B CB 543 C CG . HIS B 18 ? 0.8050 0.6261 0.8594 -0.1055 0.0474 0.0179 18 HIS B CG 544 N ND1 . HIS B 18 ? 0.8242 0.6399 0.8883 -0.1195 0.0426 -0.0009 18 HIS B ND1 545 C CD2 . HIS B 18 ? 0.8748 0.6492 0.9118 -0.1089 0.0652 0.0341 18 HIS B CD2 546 C CE1 . HIS B 18 ? 0.8634 0.6289 0.9171 -0.1335 0.0578 0.0014 18 HIS B CE1 547 N NE2 . HIS B 18 ? 0.9015 0.6371 0.9384 -0.1272 0.0725 0.0233 18 HIS B NE2 548 N N . CYS B 19 ? 0.7686 0.5542 0.7918 -0.0465 0.0338 0.0360 19 CYS B N 549 C CA . CYS B 19 ? 0.7858 0.5356 0.8005 -0.0379 0.0335 0.0336 19 CYS B CA 550 C C . CYS B 19 ? 0.8885 0.5835 0.8910 -0.0504 0.0529 0.0405 19 CYS B C 551 O O . CYS B 19 ? 0.9165 0.5933 0.9057 -0.0480 0.0667 0.0597 19 CYS B O 552 C CB . CYS B 19 ? 0.7863 0.5412 0.7892 -0.0085 0.0275 0.0445 19 CYS B CB 553 S SG . CYS B 19 ? 0.8573 0.5753 0.8499 0.0069 0.0279 0.0425 19 CYS B SG 554 N N . PRO B 20 ? 0.8591 0.5259 0.8645 -0.0647 0.0555 0.0249 20 PRO B N 555 C CA . PRO B 20 ? 0.9182 0.5256 0.9111 -0.0800 0.0762 0.0284 20 PRO B CA 556 C C . PRO B 20 ? 1.0119 0.5660 0.9790 -0.0543 0.0882 0.0483 20 PRO B C 557 O O . PRO B 20 ? 1.0656 0.5675 1.0174 -0.0618 0.1090 0.0608 20 PRO B O 558 C CB . PRO B 20 ? 0.9412 0.5421 0.9448 -0.1010 0.0728 0.0015 20 PRO B CB 559 C CG . PRO B 20 ? 0.9469 0.5855 0.9585 -0.0833 0.0523 -0.0085 20 PRO B CG 560 C CD . PRO B 20 ? 0.8466 0.5331 0.8648 -0.0686 0.0412 0.0029 20 PRO B CD 561 N N . ASP B 21 ? 0.9446 0.5124 0.9067 -0.0237 0.0763 0.0518 21 ASP B N 562 C CA . ASP B 21 ? 0.9818 0.5111 0.9207 0.0070 0.0852 0.0704 21 ASP B CA 563 C C . ASP B 21 ? 0.9959 0.5728 0.9329 0.0382 0.0715 0.0829 21 ASP B C 564 O O . ASP B 21 ? 0.9524 0.5622 0.8993 0.0485 0.0559 0.0709 21 ASP B O 565 C CB . ASP B 21 ? 1.0293 0.5182 0.9627 0.0111 0.0882 0.0559 21 ASP B CB 566 C CG . ASP B 21 ? 1.2129 0.6515 1.1207 0.0433 0.1012 0.0735 21 ASP B CG 567 O OD1 . ASP B 21 ? 1.2493 0.6493 1.1507 0.0466 0.1066 0.0610 21 ASP B OD1 568 O OD2 . ASP B 21 ? 1.3021 0.7418 1.1952 0.0672 0.1064 0.0998 21 ASP B OD2 569 N N . CYS B 22 ? 0.9696 0.5515 0.8931 0.0518 0.0784 0.1067 22 CYS B N 570 C CA . CYS B 22 ? 0.9423 0.5722 0.8615 0.0805 0.0671 0.1186 22 CYS B CA 571 C C . CYS B 22 ? 1.0385 0.6418 0.9340 0.1167 0.0753 0.1390 22 CYS B C 572 O O . CYS B 22 ? 1.0204 0.6660 0.9103 0.1436 0.0667 0.1495 22 CYS B O 573 C CB . CYS B 22 ? 0.9369 0.5991 0.8549 0.0755 0.0682 0.1305 22 CYS B CB 574 S SG . CYS B 22 ? 0.9271 0.6356 0.8735 0.0429 0.0558 0.1068 22 CYS B SG 575 N N . GLY B 23 ? 1.0510 0.5862 0.9329 0.1173 0.0920 0.1427 23 GLY B N 576 C CA . GLY B 23 ? 1.1051 0.6008 0.9617 0.1532 0.1039 0.1626 23 GLY B CA 577 C C . GLY B 23 ? 1.2349 0.6471 1.0691 0.1463 0.1310 0.1788 23 GLY B C 578 O O . GLY B 23 ? 1.2464 0.6504 1.0760 0.1295 0.1413 0.1917 23 GLY B O 579 N N . GLU B 24 ? 1.2452 0.5931 1.0652 0.1581 0.1441 0.1771 24 GLU B N 580 C CA . GLU B 24 ? 1.3320 0.5853 1.1285 0.1513 0.1730 0.1890 24 GLU B CA 581 C C . GLU B 24 ? 1.3833 0.6075 1.1935 0.0978 0.1821 0.1694 24 GLU B C 582 O O . GLU B 24 ? 1.4471 0.6048 1.2404 0.0829 0.2070 0.1825 24 GLU B O 583 C CB . GLU B 24 ? 1.4137 0.6377 1.1781 0.1833 0.1909 0.2305 24 GLU B CB 584 C CG . GLU B 24 ? 1.6216 0.7883 1.3565 0.2284 0.2056 0.2489 24 GLU B CG 585 C CD . GLU B 24 ? 1.8504 1.0820 1.5867 0.2744 0.1864 0.2530 24 GLU B CD 586 O OE1 . GLU B 24 ? 1.7633 1.0620 1.4989 0.2944 0.1745 0.2705 24 GLU B OE1 587 O OE2 . GLU B 24 ? 1.7789 0.9960 1.5164 0.2904 0.1841 0.2382 24 GLU B OE2 588 N N . GLY B 25 ? 1.2681 0.5435 1.1083 0.0700 0.1626 0.1384 25 GLY B N 589 C CA . GLY B 25 ? 1.2584 0.5270 1.1164 0.0211 0.1660 0.1153 25 GLY B CA 590 C C . GLY B 25 ? 1.2871 0.5863 1.1542 -0.0032 0.1686 0.1250 25 GLY B C 591 O O . GLY B 25 ? 1.2891 0.5791 1.1688 -0.0439 0.1760 0.1094 25 GLY B O 592 N N . HIS B 26 ? 1.2182 0.5602 1.0796 0.0209 0.1622 0.1488 26 HIS B N 593 C CA . HIS B 26 ? 1.1999 0.5765 1.0674 0.0033 0.1648 0.1597 26 HIS B CA 594 C C . HIS B 26 ? 1.1557 0.6187 1.0514 -0.0048 0.1391 0.1414 26 HIS B C 595 O O . HIS B 26 ? 1.1030 0.6089 1.0035 0.0199 0.1200 0.1376 26 HIS B O 596 C CB . HIS B 26 ? 1.2509 0.6169 1.0904 0.0338 0.1772 0.1981 26 HIS B CB 597 C CG . HIS B 26 ? 1.3906 0.6645 1.1994 0.0410 0.2066 0.2207 26 HIS B CG 598 N ND1 . HIS B 26 ? 1.4694 0.6922 1.2725 0.0067 0.2316 0.2268 26 HIS B ND1 599 C CD2 . HIS B 26 ? 1.4646 0.6894 1.2470 0.0791 0.2156 0.2383 26 HIS B CD2 600 C CE1 . HIS B 26 ? 1.5495 0.6866 1.3214 0.0239 0.2560 0.2482 26 HIS B CE1 601 N NE2 . HIS B 26 ? 1.5545 0.6897 1.3124 0.0697 0.2472 0.2563 26 HIS B NE2 602 N N . SER B 27 ? 1.0918 0.5795 1.0059 -0.0396 0.1402 0.1298 27 SER B N 603 C CA . SER B 27 ? 1.0158 0.5789 0.9557 -0.0488 0.1195 0.1128 27 SER B CA 604 C C . SER B 27 ? 1.0402 0.6505 0.9741 -0.0282 0.1138 0.1310 27 SER B C 605 O O . SER B 27 ? 1.0784 0.6692 0.9925 -0.0211 0.1302 0.1566 27 SER B O 606 C CB . SER B 27 ? 1.0572 0.6321 1.0173 -0.0899 0.1248 0.0958 27 SER B CB 607 O OG . SER B 27 ? 1.1036 0.7481 1.0877 -0.0952 0.1053 0.0790 27 SER B OG 608 N N . CYS B 28 ? 0.9318 0.6029 0.8815 -0.0190 0.0918 0.1173 28 CYS B N 609 C CA . CYS B 28 ? 0.9042 0.6259 0.8502 -0.0012 0.0840 0.1273 28 CYS B CA 610 C C . CYS B 28 ? 0.8770 0.6573 0.8463 -0.0069 0.0643 0.1047 28 CYS B C 611 O O . CYS B 28 ? 0.8423 0.6254 0.8287 -0.0178 0.0543 0.0840 28 CYS B O 612 C CB . CYS B 28 ? 0.9238 0.6437 0.8491 0.0347 0.0808 0.1441 28 CYS B CB 613 S SG . CYS B 28 ? 0.9182 0.6793 0.8568 0.0522 0.0554 0.1237 28 CYS B SG 614 N N . HIS B 29 ? 0.8085 0.6340 0.7760 0.0029 0.0595 0.1091 29 HIS B N 615 C CA . HIS B 29 ? 0.7531 0.6291 0.7378 0.0026 0.0429 0.0896 29 HIS B CA 616 C C . HIS B 29 ? 0.7777 0.6661 0.7575 0.0255 0.0290 0.0858 29 HIS B C 617 O O . HIS B 29 ? 0.7788 0.6892 0.7445 0.0444 0.0274 0.0960 29 HIS B O 618 C CB . HIS B 29 ? 0.7601 0.6753 0.7428 0.0020 0.0469 0.0946 29 HIS B CB 619 C CG . HIS B 29 ? 0.8283 0.7342 0.8138 -0.0203 0.0638 0.1024 29 HIS B CG 620 N ND1 . HIS B 29 ? 0.8311 0.7515 0.8393 -0.0430 0.0624 0.0854 29 HIS B ND1 621 C CD2 . HIS B 29 ? 0.8962 0.7811 0.8643 -0.0234 0.0830 0.1258 29 HIS B CD2 622 C CE1 . HIS B 29 ? 0.8561 0.7679 0.8626 -0.0618 0.0804 0.0966 29 HIS B CE1 623 N NE2 . HIS B 29 ? 0.9017 0.7886 0.8838 -0.0518 0.0942 0.1217 29 HIS B NE2 624 N N . SER B 30 ? 0.7108 0.5863 0.7013 0.0231 0.0199 0.0717 30 SER B N 625 C CA . SER B 30 ? 0.6916 0.5758 0.6803 0.0405 0.0085 0.0670 30 SER B CA 626 C C . SER B 30 ? 0.6974 0.6232 0.6975 0.0427 -0.0065 0.0496 30 SER B C 627 O O . SER B 30 ? 0.6682 0.6017 0.6835 0.0294 -0.0116 0.0346 30 SER B O 628 C CB . SER B 30 ? 0.7413 0.5903 0.7336 0.0372 0.0086 0.0614 30 SER B CB 629 O OG . SER B 30 ? 0.8371 0.6973 0.8287 0.0533 -0.0010 0.0573 30 SER B OG 630 N N . PRO B 31 ? 0.6471 0.5989 0.6400 0.0598 -0.0134 0.0505 31 PRO B N 631 C CA . PRO B 31 ? 0.6138 0.5987 0.6174 0.0582 -0.0260 0.0313 31 PRO B CA 632 C C . PRO B 31 ? 0.6457 0.6211 0.6602 0.0553 -0.0334 0.0198 31 PRO B C 633 O O . PRO B 31 ? 0.6197 0.6149 0.6429 0.0515 -0.0418 0.0044 31 PRO B O 634 C CB . PRO B 31 ? 0.6443 0.6660 0.6351 0.0748 -0.0289 0.0362 31 PRO B CB 635 C CG . PRO B 31 ? 0.7310 0.7358 0.7054 0.0915 -0.0209 0.0590 31 PRO B CG 636 C CD . PRO B 31 ? 0.6920 0.6458 0.6666 0.0814 -0.0096 0.0683 31 PRO B CD 637 N N . VAL B 32 ? 0.6157 0.5588 0.6284 0.0562 -0.0287 0.0269 32 VAL B N 638 C CA . VAL B 32 ? 0.6036 0.5355 0.6237 0.0548 -0.0333 0.0187 32 VAL B CA 639 C C . VAL B 32 ? 0.6609 0.5571 0.6856 0.0416 -0.0281 0.0167 32 VAL B C 640 O O . VAL B 32 ? 0.6630 0.5397 0.6874 0.0431 -0.0273 0.0149 32 VAL B O 641 C CB . VAL B 32 ? 0.6662 0.6049 0.6772 0.0745 -0.0334 0.0272 32 VAL B CB 642 C CG1 . VAL B 32 ? 0.7014 0.6063 0.6965 0.0866 -0.0215 0.0460 32 VAL B CG1 643 C CG2 . VAL B 32 ? 0.6483 0.5909 0.6687 0.0738 -0.0393 0.0164 32 VAL B CG2 644 N N . ALA B 33 ? 0.6151 0.5086 0.6445 0.0282 -0.0248 0.0151 33 ALA B N 645 C CA . ALA B 33 ? 0.6182 0.4892 0.6535 0.0126 -0.0204 0.0106 33 ALA B CA 646 C C . ALA B 33 ? 0.6435 0.5163 0.6892 0.0068 -0.0285 -0.0033 33 ALA B C 647 O O . ALA B 33 ? 0.6157 0.5095 0.6681 0.0088 -0.0367 -0.0106 33 ALA B O 648 C CB . ALA B 33 ? 0.6264 0.5097 0.6674 0.0006 -0.0165 0.0104 33 ALA B CB 649 N N . LEU B 34 ? 0.6111 0.4601 0.6563 -0.0002 -0.0249 -0.0070 34 LEU B N 650 C CA . LEU B 34 ? 0.5939 0.4457 0.6458 -0.0048 -0.0316 -0.0189 34 LEU B CA 651 C C . LEU B 34 ? 0.6262 0.4936 0.6890 -0.0184 -0.0345 -0.0275 34 LEU B C 652 O O . LEU B 34 ? 0.6347 0.4974 0.6997 -0.0310 -0.0283 -0.0284 34 LEU B O 653 C CB . LEU B 34 ? 0.6169 0.4404 0.6615 -0.0040 -0.0268 -0.0214 34 LEU B CB 654 C CG . LEU B 34 ? 0.6881 0.5022 0.7229 0.0143 -0.0251 -0.0140 34 LEU B CG 655 C CD1 . LEU B 34 ? 0.7203 0.5007 0.7460 0.0163 -0.0176 -0.0169 34 LEU B CD1 656 C CD2 . LEU B 34 ? 0.6947 0.5362 0.7352 0.0218 -0.0345 -0.0178 34 LEU B CD2 657 N N . GLU B 35 ? 0.5579 0.4451 0.6271 -0.0154 -0.0431 -0.0332 35 GLU B N 658 C CA . GLU B 35 ? 0.5449 0.4529 0.6234 -0.0218 -0.0470 -0.0397 35 GLU B CA 659 C C . GLU B 35 ? 0.5950 0.5050 0.6747 -0.0267 -0.0507 -0.0481 35 GLU B C 660 O O . GLU B 35 ? 0.5997 0.5201 0.6846 -0.0384 -0.0497 -0.0550 35 GLU B O 661 C CB . GLU B 35 ? 0.5457 0.4704 0.6275 -0.0124 -0.0523 -0.0390 35 GLU B CB 662 C CG . GLU B 35 ? 0.6719 0.6051 0.7540 -0.0095 -0.0492 -0.0350 35 GLU B CG 663 C CD . GLU B 35 ? 0.9074 0.8572 0.9961 -0.0169 -0.0451 -0.0352 35 GLU B CD 664 O OE1 . GLU B 35 ? 0.8348 0.7993 0.9315 -0.0230 -0.0469 -0.0407 35 GLU B OE1 665 O OE2 . GLU B 35 ? 0.8156 0.7692 0.9016 -0.0163 -0.0399 -0.0299 35 GLU B OE2 666 N N . ARG B 36 ? 0.5432 0.4480 0.6180 -0.0189 -0.0545 -0.0484 36 ARG B N 667 C CA . ARG B 36 ? 0.5422 0.4524 0.6152 -0.0206 -0.0582 -0.0553 36 ARG B CA 668 C C . ARG B 36 ? 0.5937 0.4904 0.6588 -0.0134 -0.0578 -0.0540 36 ARG B C 669 O O . ARG B 36 ? 0.5824 0.4780 0.6468 -0.0057 -0.0583 -0.0478 36 ARG B O 670 C CB . ARG B 36 ? 0.5343 0.4692 0.6114 -0.0154 -0.0645 -0.0549 36 ARG B CB 671 C CG . ARG B 36 ? 0.6739 0.6242 0.7481 -0.0158 -0.0689 -0.0609 36 ARG B CG 672 C CD . ARG B 36 ? 0.7899 0.7603 0.8644 -0.0043 -0.0738 -0.0553 36 ARG B CD 673 N NE . ARG B 36 ? 0.9035 0.8907 0.9714 -0.0008 -0.0780 -0.0576 36 ARG B NE 674 C CZ . ARG B 36 ? 1.0882 1.0871 1.1507 0.0129 -0.0809 -0.0492 36 ARG B CZ 675 N NH1 . ARG B 36 ? 0.9229 0.9129 0.9862 0.0234 -0.0791 -0.0395 36 ARG B NH1 676 N NH2 . ARG B 36 ? 0.9386 0.9563 0.9929 0.0171 -0.0845 -0.0503 36 ARG B NH2 677 N N . ILE B 37 ? 0.5602 0.4499 0.6199 -0.0169 -0.0565 -0.0617 37 ILE B N 678 C CA . ILE B 37 ? 0.5608 0.4429 0.6131 -0.0094 -0.0555 -0.0621 37 ILE B CA 679 C C . ILE B 37 ? 0.6046 0.5047 0.6536 -0.0097 -0.0601 -0.0675 37 ILE B C 680 O O . ILE B 37 ? 0.6095 0.5174 0.6576 -0.0176 -0.0615 -0.0778 37 ILE B O 681 C CB . ILE B 37 ? 0.6238 0.4795 0.6688 -0.0086 -0.0481 -0.0662 37 ILE B CB 682 C CG1 . ILE B 37 ? 0.6364 0.4746 0.6817 -0.0065 -0.0425 -0.0577 37 ILE B CG1 683 C CG2 . ILE B 37 ? 0.6377 0.4925 0.6762 0.0028 -0.0469 -0.0662 37 ILE B CG2 684 C CD1 . ILE B 37 ? 0.7624 0.5660 0.7991 -0.0089 -0.0325 -0.0608 37 ILE B CD1 685 N N . ARG B 38 ? 0.5476 0.4565 0.5945 -0.0021 -0.0620 -0.0605 38 ARG B N 686 C CA . ARG B 38 ? 0.5453 0.4714 0.5860 0.0006 -0.0650 -0.0609 38 ARG B CA 687 C C . ARG B 38 ? 0.6018 0.5259 0.6343 0.0045 -0.0617 -0.0638 38 ARG B C 688 O O . ARG B 38 ? 0.5907 0.5079 0.6245 0.0086 -0.0580 -0.0588 38 ARG B O 689 C CB . ARG B 38 ? 0.5351 0.4681 0.5768 0.0062 -0.0667 -0.0491 38 ARG B CB 690 C CG . ARG B 38 ? 0.6396 0.5825 0.6872 0.0066 -0.0705 -0.0477 38 ARG B CG 691 C CD . ARG B 38 ? 0.7428 0.6821 0.7895 0.0147 -0.0697 -0.0361 38 ARG B CD 692 N NE . ARG B 38 ? 0.8455 0.7907 0.8814 0.0222 -0.0692 -0.0282 38 ARG B NE 693 C CZ . ARG B 38 ? 1.0270 0.9600 1.0578 0.0292 -0.0653 -0.0162 38 ARG B CZ 694 N NH1 . ARG B 38 ? 0.8699 0.7852 0.9063 0.0287 -0.0623 -0.0141 38 ARG B NH1 695 N NH2 . ARG B 38 ? 0.8655 0.8020 0.8839 0.0364 -0.0631 -0.0065 38 ARG B NH2 696 N N . ASN B 39 ? 0.5725 0.5077 0.5967 0.0034 -0.0630 -0.0735 39 ASN B N 697 C CA . ASN B 39 ? 0.5815 0.5183 0.5962 0.0080 -0.0592 -0.0791 39 ASN B CA 698 C C . ASN B 39 ? 0.6372 0.6000 0.6413 0.0112 -0.0620 -0.0790 39 ASN B C 699 O O . ASN B 39 ? 0.6482 0.6191 0.6424 0.0119 -0.0609 -0.0911 39 ASN B O 700 C CB . ASN B 39 ? 0.6105 0.5282 0.6218 0.0046 -0.0553 -0.0949 39 ASN B CB 701 C CG . ASN B 39 ? 0.9367 0.8586 0.9472 -0.0074 -0.0583 -0.1097 39 ASN B CG 702 O OD1 . ASN B 39 ? 0.8808 0.8173 0.8824 -0.0100 -0.0597 -0.1233 39 ASN B OD1 703 N ND2 . ASN B 39 ? 0.8436 0.7571 0.8637 -0.0161 -0.0590 -0.1088 39 ASN B ND2 704 N N . GLU B 40 ? 0.5862 0.5606 0.5902 0.0149 -0.0644 -0.0646 40 GLU B N 705 C CA . GLU B 40 ? 0.5934 0.5922 0.5848 0.0213 -0.0662 -0.0588 40 GLU B CA 706 C C . GLU B 40 ? 0.6468 0.6480 0.6296 0.0260 -0.0592 -0.0504 40 GLU B C 707 O O . GLU B 40 ? 0.6552 0.6780 0.6240 0.0314 -0.0590 -0.0486 40 GLU B O 708 C CB . GLU B 40 ? 0.6086 0.6134 0.6012 0.0266 -0.0695 -0.0444 40 GLU B CB 709 C CG . GLU B 40 ? 0.7333 0.7420 0.7368 0.0223 -0.0756 -0.0518 40 GLU B CG 710 C CD . GLU B 40 ? 0.9674 0.9566 0.9817 0.0229 -0.0742 -0.0420 40 GLU B CD 711 O OE1 . GLU B 40 ? 0.8698 0.8421 0.8823 0.0268 -0.0690 -0.0289 40 GLU B OE1 712 O OE2 . GLU B 40 ? 0.8966 0.8887 0.9211 0.0181 -0.0776 -0.0486 40 GLU B OE2 713 N N . ALA B 41 ? 0.5934 0.5781 0.5846 0.0237 -0.0534 -0.0456 41 ALA B N 714 C CA . ALA B 41 ? 0.5959 0.5872 0.5831 0.0252 -0.0456 -0.0386 41 ALA B CA 715 C C . ALA B 41 ? 0.6593 0.6642 0.6384 0.0294 -0.0433 -0.0520 41 ALA B C 716 O O . ALA B 41 ? 0.6548 0.6490 0.6384 0.0300 -0.0437 -0.0657 41 ALA B O 717 C CB . ALA B 41 ? 0.5930 0.5716 0.5940 0.0203 -0.0414 -0.0342 41 ALA B CB 718 N N . THR B 42 ? 0.6310 0.6576 0.5961 0.0336 -0.0398 -0.0476 42 THR B N 719 C CA . THR B 42 ? 0.6420 0.6857 0.5965 0.0391 -0.0367 -0.0610 42 THR B CA 720 C C . THR B 42 ? 0.6911 0.7351 0.6530 0.0418 -0.0289 -0.0635 42 THR B C 721 O O . THR B 42 ? 0.6993 0.7482 0.6555 0.0487 -0.0263 -0.0788 42 THR B O 722 C CB . THR B 42 ? 0.7512 0.8230 0.6865 0.0441 -0.0354 -0.0546 42 THR B CB 723 O OG1 . THR B 42 ? 0.7444 0.8180 0.6785 0.0427 -0.0284 -0.0312 42 THR B OG1 724 C CG2 . THR B 42 ? 0.7376 0.8206 0.6640 0.0455 -0.0450 -0.0598 42 THR B CG2 725 N N . ASP B 43 ? 0.6349 0.6753 0.6096 0.0367 -0.0248 -0.0502 43 ASP B N 726 C CA . ASP B 43 ? 0.6286 0.6795 0.6135 0.0393 -0.0183 -0.0520 43 ASP B CA 727 C C . ASP B 43 ? 0.6710 0.7041 0.6653 0.0455 -0.0215 -0.0633 43 ASP B C 728 O O . ASP B 43 ? 0.6659 0.7108 0.6671 0.0529 -0.0169 -0.0659 43 ASP B O 729 C CB . ASP B 43 ? 0.6457 0.7055 0.6411 0.0284 -0.0124 -0.0364 43 ASP B CB 730 C CG . ASP B 43 ? 0.7573 0.7966 0.7667 0.0199 -0.0165 -0.0320 43 ASP B CG 731 O OD1 . ASP B 43 ? 0.7593 0.7760 0.7668 0.0201 -0.0238 -0.0331 43 ASP B OD1 732 O OD2 . ASP B 43 ? 0.8258 0.8758 0.8480 0.0120 -0.0120 -0.0283 43 ASP B OD2 733 N N . GLY B 44 ? 0.6257 0.6331 0.6193 0.0433 -0.0283 -0.0686 44 GLY B N 734 C CA . GLY B 44 ? 0.6243 0.6082 0.6231 0.0483 -0.0297 -0.0767 44 GLY B CA 735 C C . GLY B 44 ? 0.6571 0.6289 0.6692 0.0431 -0.0331 -0.0680 44 GLY B C 736 O O . GLY B 44 ? 0.6565 0.6076 0.6709 0.0472 -0.0338 -0.0719 44 GLY B O 737 N N . THR B 45 ? 0.5980 0.5806 0.6173 0.0340 -0.0339 -0.0562 45 THR B N 738 C CA . THR B 45 ? 0.5796 0.5542 0.6105 0.0279 -0.0367 -0.0499 45 THR B CA 739 C C . THR B 45 ? 0.6228 0.5741 0.6530 0.0247 -0.0426 -0.0516 45 THR B C 740 O O . THR B 45 ? 0.6215 0.5700 0.6452 0.0214 -0.0454 -0.0522 45 THR B O 741 C CB . THR B 45 ? 0.6701 0.6565 0.7063 0.0171 -0.0338 -0.0399 45 THR B CB 742 O OG1 . THR B 45 ? 0.6756 0.6884 0.7135 0.0177 -0.0270 -0.0392 45 THR B OG1 743 C CG2 . THR B 45 ? 0.6369 0.6179 0.6847 0.0101 -0.0358 -0.0373 45 THR B CG2 744 N N . LEU B 46 ? 0.5709 0.5109 0.6077 0.0265 -0.0440 -0.0519 46 LEU B N 745 C CA . LEU B 46 ? 0.5642 0.4857 0.6021 0.0224 -0.0479 -0.0529 46 LEU B CA 746 C C . LEU B 46 ? 0.5972 0.5202 0.6435 0.0166 -0.0504 -0.0459 46 LEU B C 747 O O . LEU B 46 ? 0.5872 0.5194 0.6397 0.0175 -0.0492 -0.0433 46 LEU B O 748 C CB . LEU B 46 ? 0.5759 0.4792 0.6118 0.0291 -0.0455 -0.0570 46 LEU B CB 749 C CG . LEU B 46 ? 0.6571 0.5475 0.6828 0.0351 -0.0411 -0.0670 46 LEU B CG 750 C CD1 . LEU B 46 ? 0.6766 0.5450 0.6991 0.0459 -0.0356 -0.0665 46 LEU B CD1 751 C CD2 . LEU B 46 ? 0.6969 0.5779 0.7176 0.0248 -0.0433 -0.0766 46 LEU B CD2 752 N N . LYS B 47 ? 0.5484 0.4655 0.5947 0.0114 -0.0538 -0.0444 47 LYS B N 753 C CA . LYS B 47 ? 0.5373 0.4517 0.5897 0.0075 -0.0553 -0.0398 47 LYS B CA 754 C C . LYS B 47 ? 0.5883 0.4945 0.6436 0.0075 -0.0573 -0.0422 47 LYS B C 755 O O . LYS B 47 ? 0.5871 0.4908 0.6410 0.0053 -0.0593 -0.0452 47 LYS B O 756 C CB . LYS B 47 ? 0.5700 0.4836 0.6192 0.0060 -0.0561 -0.0347 47 LYS B CB 757 C CG . LYS B 47 ? 0.7213 0.6271 0.7750 0.0036 -0.0554 -0.0313 47 LYS B CG 758 C CD . LYS B 47 ? 0.8434 0.7420 0.8910 0.0065 -0.0541 -0.0240 47 LYS B CD 759 C CE . LYS B 47 ? 0.9635 0.8477 1.0139 0.0051 -0.0515 -0.0227 47 LYS B CE 760 N NZ . LYS B 47 ? 1.0859 0.9544 1.1274 0.0094 -0.0465 -0.0131 47 LYS B NZ 761 N N . ILE B 48 ? 0.5421 0.4481 0.6009 0.0096 -0.0562 -0.0411 48 ILE B N 762 C CA . ILE B 48 ? 0.5423 0.4401 0.6017 0.0103 -0.0558 -0.0405 48 ILE B CA 763 C C . ILE B 48 ? 0.5849 0.4877 0.6492 0.0078 -0.0575 -0.0387 48 ILE B C 764 O O . ILE B 48 ? 0.5772 0.4890 0.6442 0.0077 -0.0579 -0.0387 48 ILE B O 765 C CB . ILE B 48 ? 0.5911 0.4852 0.6469 0.0191 -0.0521 -0.0383 48 ILE B CB 766 C CG1 . ILE B 48 ? 0.6085 0.4960 0.6583 0.0242 -0.0492 -0.0420 48 ILE B CG1 767 C CG2 . ILE B 48 ? 0.6107 0.4906 0.6637 0.0201 -0.0491 -0.0346 48 ILE B CG2 768 C CD1 . ILE B 48 ? 0.7031 0.5991 0.7509 0.0375 -0.0462 -0.0392 48 ILE B CD1 769 N N . GLN B 49 ? 0.5385 0.4380 0.6043 0.0047 -0.0579 -0.0389 49 GLN B N 770 C CA . GLN B 49 ? 0.5286 0.4341 0.5981 0.0042 -0.0586 -0.0382 49 GLN B CA 771 C C . GLN B 49 ? 0.5801 0.4849 0.6479 0.0055 -0.0555 -0.0347 49 GLN B C 772 O O . GLN B 49 ? 0.5854 0.4803 0.6510 0.0027 -0.0521 -0.0331 49 GLN B O 773 C CB . GLN B 49 ? 0.5429 0.4530 0.6157 0.0024 -0.0605 -0.0398 49 GLN B CB 774 C CG . GLN B 49 ? 0.6907 0.6063 0.7663 0.0052 -0.0605 -0.0403 49 GLN B CG 775 C CD . GLN B 49 ? 0.9035 0.8278 0.9824 0.0083 -0.0619 -0.0409 49 GLN B CD 776 O OE1 . GLN B 49 ? 0.8438 0.7717 0.9219 0.0100 -0.0642 -0.0402 49 GLN B OE1 777 N NE2 . GLN B 49 ? 0.7946 0.7267 0.8763 0.0114 -0.0606 -0.0422 49 GLN B NE2 778 N N . VAL B 50 ? 0.5308 0.4456 0.5983 0.0090 -0.0558 -0.0339 50 VAL B N 779 C CA . VAL B 50 ? 0.5341 0.4531 0.5971 0.0134 -0.0527 -0.0282 50 VAL B CA 780 C C . VAL B 50 ? 0.5754 0.5076 0.6400 0.0125 -0.0529 -0.0304 50 VAL B C 781 O O . VAL B 50 ? 0.5654 0.5016 0.6342 0.0105 -0.0555 -0.0375 50 VAL B O 782 C CB . VAL B 50 ? 0.5882 0.5160 0.6467 0.0221 -0.0530 -0.0253 50 VAL B CB 783 C CG1 . VAL B 50 ? 0.5786 0.5293 0.6406 0.0214 -0.0571 -0.0326 50 VAL B CG1 784 C CG2 . VAL B 50 ? 0.6027 0.5267 0.6520 0.0313 -0.0480 -0.0144 50 VAL B CG2 785 N N . SER B 51 ? 0.5356 0.4724 0.5952 0.0152 -0.0487 -0.0236 51 SER B N 786 C CA . SER B 51 ? 0.5310 0.4840 0.5907 0.0156 -0.0478 -0.0258 51 SER B CA 787 C C . SER B 51 ? 0.5752 0.5476 0.6317 0.0204 -0.0512 -0.0326 51 SER B C 788 O O . SER B 51 ? 0.5703 0.5541 0.6275 0.0202 -0.0513 -0.0400 51 SER B O 789 C CB . SER B 51 ? 0.5892 0.5419 0.6438 0.0149 -0.0405 -0.0153 51 SER B CB 790 O OG . SER B 51 ? 0.7215 0.6765 0.7646 0.0239 -0.0373 -0.0049 51 SER B OG 791 N N . LEU B 52 ? 0.5276 0.5072 0.5812 0.0246 -0.0538 -0.0321 52 LEU B N 792 C CA . LEU B 52 ? 0.5228 0.5279 0.5750 0.0260 -0.0576 -0.0418 52 LEU B CA 793 C C . LEU B 52 ? 0.5607 0.5609 0.6208 0.0166 -0.0606 -0.0555 52 LEU B C 794 O O . LEU B 52 ? 0.5518 0.5302 0.6167 0.0124 -0.0600 -0.0540 52 LEU B O 795 C CB . LEU B 52 ? 0.5304 0.5577 0.5753 0.0369 -0.0587 -0.0342 52 LEU B CB 796 C CG . LEU B 52 ? 0.5906 0.6081 0.6355 0.0430 -0.0582 -0.0255 52 LEU B CG 797 C CD1 . LEU B 52 ? 0.5824 0.6128 0.6362 0.0371 -0.0627 -0.0368 52 LEU B CD1 798 C CD2 . LEU B 52 ? 0.6367 0.6706 0.6702 0.0602 -0.0564 -0.0120 52 LEU B CD2 799 N N . GLN B 53 ? 0.5149 0.5360 0.5755 0.0122 -0.0629 -0.0690 53 GLN B N 800 C CA . GLN B 53 ? 0.5129 0.5260 0.5798 -0.0001 -0.0629 -0.0826 53 GLN B CA 801 C C . GLN B 53 ? 0.5617 0.6054 0.6322 -0.0053 -0.0659 -0.0902 53 GLN B C 802 O O . GLN B 53 ? 0.5605 0.6385 0.6281 -0.0038 -0.0687 -0.0979 53 GLN B O 803 C CB . GLN B 53 ? 0.5409 0.5434 0.6063 -0.0055 -0.0603 -0.0967 53 GLN B CB 804 C CG . GLN B 53 ? 0.6944 0.6697 0.7592 0.0001 -0.0572 -0.0901 53 GLN B CG 805 C CD . GLN B 53 ? 0.9286 0.8971 0.9900 0.0011 -0.0539 -0.1027 53 GLN B CD 806 O OE1 . GLN B 53 ? 0.8803 0.8665 0.9377 -0.0018 -0.0540 -0.1167 53 GLN B OE1 807 N NE2 . GLN B 53 ? 0.8295 0.7756 0.8917 0.0070 -0.0508 -0.0987 53 GLN B NE2 808 N N . ILE B 54 ? 0.5147 0.5517 0.5915 -0.0110 -0.0651 -0.0882 54 ILE B N 809 C CA . ILE B 54 ? 0.5127 0.5837 0.5960 -0.0167 -0.0671 -0.0949 54 ILE B CA 810 C C . ILE B 54 ? 0.5758 0.6449 0.6658 -0.0385 -0.0639 -0.1133 54 ILE B C 811 O O . ILE B 54 ? 0.5770 0.6065 0.6669 -0.0468 -0.0584 -0.1136 54 ILE B O 812 C CB . ILE B 54 ? 0.5431 0.6130 0.6291 -0.0092 -0.0667 -0.0820 54 ILE B CB 813 C CG1 . ILE B 54 ? 0.5444 0.5997 0.6221 0.0092 -0.0669 -0.0650 54 ILE B CG1 814 C CG2 . ILE B 54 ? 0.5517 0.6689 0.6447 -0.0096 -0.0692 -0.0871 54 ILE B CG2 815 C CD1 . ILE B 54 ? 0.6351 0.6551 0.7123 0.0094 -0.0639 -0.0569 54 ILE B CD1 816 N N . GLY B 55 ? 0.5404 0.6534 0.6355 -0.0474 -0.0666 -0.1281 55 GLY B N 817 C CA . GLY B 55 ? 0.5573 0.6736 0.6597 -0.0727 -0.0623 -0.1490 55 GLY B CA 818 C C . GLY B 55 ? 0.6285 0.7310 0.7255 -0.0828 -0.0599 -0.1678 55 GLY B C 819 O O . GLY B 55 ? 0.6462 0.7371 0.7471 -0.1059 -0.0536 -0.1865 55 GLY B O 820 N N . ILE B 56 ? 0.5827 0.6842 0.6699 -0.0663 -0.0633 -0.1634 56 ILE B N 821 C CA . ILE B 56 ? 0.6013 0.6919 0.6813 -0.0709 -0.0609 -0.1808 56 ILE B CA 822 C C . ILE B 56 ? 0.6488 0.7897 0.7219 -0.0581 -0.0683 -0.1836 56 ILE B C 823 O O . ILE B 56 ? 0.6246 0.7791 0.6933 -0.0380 -0.0724 -0.1628 56 ILE B O 824 C CB . ILE B 56 ? 0.6460 0.6788 0.7192 -0.0620 -0.0550 -0.1713 56 ILE B CB 825 C CG1 . ILE B 56 ? 0.6639 0.6484 0.7406 -0.0718 -0.0472 -0.1666 56 ILE B CG1 826 C CG2 . ILE B 56 ? 0.6764 0.6990 0.7412 -0.0620 -0.0518 -0.1888 56 ILE B CG2 827 C CD1 . ILE B 56 ? 0.7441 0.7152 0.8224 -0.0592 -0.0487 -0.1419 56 ILE B CD1 828 N N . LYS B 57 ? 0.6296 0.7971 0.7002 -0.0702 -0.0690 -0.2097 57 LYS B N 829 C CA . LYS B 57 ? 0.6294 0.8494 0.6909 -0.0587 -0.0756 -0.2153 57 LYS B CA 830 C C . LYS B 57 ? 0.6947 0.8882 0.7438 -0.0479 -0.0719 -0.2153 57 LYS B C 831 O O . LYS B 57 ? 0.6975 0.8360 0.7468 -0.0513 -0.0645 -0.2161 57 LYS B O 832 C CB . LYS B 57 ? 0.6782 0.9483 0.7434 -0.0790 -0.0788 -0.2471 57 LYS B CB 833 C CG . LYS B 57 ? 0.8220 1.1457 0.8993 -0.0844 -0.0848 -0.2465 57 LYS B CG 834 C CD . LYS B 57 ? 0.9601 1.3318 1.0450 -0.1120 -0.0864 -0.2828 57 LYS B CD 835 C CE . LYS B 57 ? 1.0942 1.5408 1.1700 -0.1024 -0.0959 -0.2957 57 LYS B CE 836 N NZ . LYS B 57 ? 1.2361 1.7276 1.3194 -0.1336 -0.0969 -0.3366 57 LYS B NZ 837 N N . THR B 58 ? 0.6575 0.8933 0.6952 -0.0332 -0.0763 -0.2137 58 THR B N 838 C CA . THR B 58 ? 0.6668 0.8899 0.6924 -0.0219 -0.0724 -0.2139 58 THR B CA 839 C C . THR B 58 ? 0.7524 0.9515 0.7754 -0.0365 -0.0664 -0.2453 58 THR B C 840 O O . THR B 58 ? 0.7559 0.9226 0.7732 -0.0280 -0.0603 -0.2441 58 THR B O 841 C CB . THR B 58 ? 0.7714 1.0498 0.7835 -0.0041 -0.0774 -0.2047 58 THR B CB 842 O OG1 . THR B 58 ? 0.7895 1.1273 0.7996 -0.0119 -0.0841 -0.2267 58 THR B OG1 843 C CG2 . THR B 58 ? 0.7305 1.0125 0.7410 0.0145 -0.0789 -0.1693 58 THR B CG2 844 N N . ASP B 59 ? 0.7327 0.9473 0.7602 -0.0586 -0.0672 -0.2741 59 ASP B N 845 C CA . ASP B 59 ? 0.7699 0.9555 0.7941 -0.0764 -0.0595 -0.3079 59 ASP B CA 846 C C . ASP B 59 ? 0.8364 0.9464 0.8678 -0.0879 -0.0492 -0.3064 59 ASP B C 847 O O . ASP B 59 ? 0.8692 0.9432 0.8979 -0.1046 -0.0402 -0.3329 59 ASP B O 848 C CB . ASP B 59 ? 0.8143 1.0531 0.8396 -0.0986 -0.0638 -0.3422 59 ASP B CB 849 C CG . ASP B 59 ? 0.9225 1.1985 0.9626 -0.1127 -0.0700 -0.3395 59 ASP B CG 850 O OD1 . ASP B 59 ? 0.9145 1.1514 0.9655 -0.1173 -0.0662 -0.3223 59 ASP B OD1 851 O OD2 . ASP B 59 ? 0.9994 1.3484 1.0400 -0.1185 -0.0785 -0.3553 59 ASP B OD2 852 N N . ASP B 60 ? 0.7682 0.8536 0.8069 -0.0779 -0.0497 -0.2750 60 ASP B N 853 C CA . ASP B 60 ? 0.7739 0.7955 0.8180 -0.0825 -0.0414 -0.2642 60 ASP B CA 854 C C . ASP B 60 ? 0.8354 0.8488 0.8899 -0.1079 -0.0383 -0.2721 60 ASP B C 855 O O . ASP B 60 ? 0.8312 0.7996 0.8894 -0.1095 -0.0323 -0.2570 60 ASP B O 856 C CB . ASP B 60 ? 0.8285 0.7917 0.8634 -0.0755 -0.0307 -0.2714 60 ASP B CB 857 C CG . ASP B 60 ? 0.9467 0.9221 0.9733 -0.0508 -0.0325 -0.2632 60 ASP B CG 858 O OD1 . ASP B 60 ? 0.9208 0.9104 0.9506 -0.0347 -0.0377 -0.2360 60 ASP B OD1 859 O OD2 . ASP B 60 ? 1.0487 1.0188 1.0655 -0.0485 -0.0275 -0.2850 60 ASP B OD2 860 N N . SER B 61 ? 0.8014 0.8639 0.8609 -0.1277 -0.0423 -0.2952 61 SER B N 861 C CA . SER B 61 ? 0.8111 0.8786 0.8830 -0.1557 -0.0389 -0.3059 61 SER B CA 862 C C . SER B 61 ? 0.8271 0.9080 0.9095 -0.1484 -0.0434 -0.2772 61 SER B C 863 O O . SER B 61 ? 0.7866 0.9035 0.8685 -0.1259 -0.0532 -0.2570 61 SER B O 864 C CB . SER B 61 ? 0.8687 1.0021 0.9450 -0.1765 -0.0442 -0.3377 61 SER B CB 865 O OG . SER B 61 ? 0.9445 1.1536 1.0226 -0.1589 -0.0583 -0.3264 61 SER B OG 866 N N . HIS B 62 ? 0.8001 0.8490 0.8903 -0.1673 -0.0347 -0.2755 62 HIS B N 867 C CA . HIS B 62 ? 0.7715 0.8303 0.8710 -0.1626 -0.0370 -0.2513 62 HIS B CA 868 C C . HIS B 62 ? 0.8041 0.9387 0.9172 -0.1744 -0.0443 -0.2607 62 HIS B C 869 O O . HIS B 62 ? 0.8239 0.9789 0.9451 -0.2040 -0.0400 -0.2869 62 HIS B O 870 C CB . HIS B 62 ? 0.8048 0.7991 0.9045 -0.1752 -0.0236 -0.2427 62 HIS B CB 871 C CG . HIS B 62 ? 0.8549 0.7852 0.9418 -0.1548 -0.0187 -0.2255 62 HIS B CG 872 N ND1 . HIS B 62 ? 0.8528 0.7676 0.9385 -0.1351 -0.0209 -0.1965 62 HIS B ND1 873 C CD2 . HIS B 62 ? 0.9073 0.7919 0.9825 -0.1506 -0.0118 -0.2351 62 HIS B CD2 874 C CE1 . HIS B 62 ? 0.8591 0.7250 0.9338 -0.1201 -0.0162 -0.1889 62 HIS B CE1 875 N NE2 . HIS B 62 ? 0.8964 0.7417 0.9643 -0.1271 -0.0104 -0.2105 62 HIS B NE2 876 N N . ASP B 63 ? 0.7220 0.8993 0.8373 -0.1505 -0.0548 -0.2401 63 ASP B N 877 C CA . ASP B 63 ? 0.7033 0.9579 0.8302 -0.1516 -0.0628 -0.2435 63 ASP B CA 878 C C . ASP B 63 ? 0.7224 0.9804 0.8509 -0.1272 -0.0663 -0.2131 63 ASP B C 879 O O . ASP B 63 ? 0.6997 0.9524 0.8180 -0.0992 -0.0716 -0.1939 63 ASP B O 880 C CB . ASP B 63 ? 0.7232 1.0405 0.8448 -0.1411 -0.0733 -0.2561 63 ASP B CB 881 C CG . ASP B 63 ? 0.8375 1.2446 0.9716 -0.1488 -0.0809 -0.2703 63 ASP B CG 882 O OD1 . ASP B 63 ? 0.8218 1.2575 0.9655 -0.1401 -0.0831 -0.2551 63 ASP B OD1 883 O OD2 . ASP B 63 ? 0.9314 1.3853 1.0650 -0.1609 -0.0852 -0.2970 63 ASP B OD2 884 N N . TRP B 64 ? 0.6770 0.9425 0.8176 -0.1393 -0.0618 -0.2097 64 TRP B N 885 C CA . TRP B 64 ? 0.6522 0.9195 0.7945 -0.1189 -0.0633 -0.1847 64 TRP B CA 886 C C . TRP B 64 ? 0.6763 1.0014 0.8174 -0.0900 -0.0738 -0.1735 64 TRP B C 887 O O . TRP B 64 ? 0.6565 0.9641 0.7917 -0.0660 -0.0747 -0.1510 64 TRP B O 888 C CB . TRP B 64 ? 0.6435 0.9127 0.7987 -0.1396 -0.0551 -0.1861 64 TRP B CB 889 C CG . TRP B 64 ? 0.6617 1.0065 0.8340 -0.1586 -0.0566 -0.2056 64 TRP B CG 890 C CD1 . TRP B 64 ? 0.7237 1.0868 0.9049 -0.1931 -0.0521 -0.2338 64 TRP B CD1 891 C CD2 . TRP B 64 ? 0.6432 1.0578 0.8265 -0.1448 -0.0623 -0.1997 64 TRP B CD2 892 N NE1 . TRP B 64 ? 0.7140 1.1609 0.9129 -0.2038 -0.0556 -0.2467 64 TRP B NE1 893 C CE2 . TRP B 64 ? 0.7054 1.1869 0.9059 -0.1724 -0.0621 -0.2252 64 TRP B CE2 894 C CE3 . TRP B 64 ? 0.6388 1.0657 0.8185 -0.1112 -0.0667 -0.1766 64 TRP B CE3 895 C CZ2 . TRP B 64 ? 0.6857 1.2532 0.9013 -0.1651 -0.0672 -0.2268 64 TRP B CZ2 896 C CZ3 . TRP B 64 ? 0.6499 1.1538 0.8422 -0.1019 -0.0708 -0.1775 64 TRP B CZ3 897 C CH2 . TRP B 64 ? 0.6671 1.2440 0.8778 -0.1274 -0.0715 -0.2017 64 TRP B CH2 898 N N . THR B 65 ? 0.6329 1.0252 0.7777 -0.0914 -0.0809 -0.1894 65 THR B N 899 C CA . THR B 65 ? 0.6183 1.0696 0.7592 -0.0607 -0.0903 -0.1777 65 THR B CA 900 C C . THR B 65 ? 0.6625 1.0912 0.7840 -0.0358 -0.0940 -0.1639 65 THR B C 901 O O . THR B 65 ? 0.6533 1.1145 0.7665 -0.0062 -0.0993 -0.1478 65 THR B O 902 C CB . THR B 65 ? 0.7253 1.2691 0.8783 -0.0710 -0.0969 -0.1999 65 THR B CB 903 O OG1 . THR B 65 ? 0.7312 1.2826 0.8810 -0.0912 -0.0985 -0.2248 65 THR B OG1 904 C CG2 . THR B 65 ? 0.7114 1.2889 0.8857 -0.0950 -0.0926 -0.2118 65 THR B CG2 905 N N . LYS B 66 ? 0.6227 0.9960 0.7364 -0.0467 -0.0899 -0.1691 66 LYS B N 906 C CA . LYS B 66 ? 0.6190 0.9720 0.7158 -0.0277 -0.0916 -0.1582 66 LYS B CA 907 C C . LYS B 66 ? 0.6593 0.9398 0.7486 -0.0183 -0.0858 -0.1377 66 LYS B C 908 O O . LYS B 66 ? 0.6494 0.8883 0.7453 -0.0296 -0.0804 -0.1357 66 LYS B O 909 C CB . LYS B 66 ? 0.6649 1.0297 0.7573 -0.0431 -0.0926 -0.1830 66 LYS B CB 910 C CG . LYS B 66 ? 0.8483 1.2952 0.9461 -0.0516 -0.0998 -0.2057 66 LYS B CG 911 C CD . LYS B 66 ? 0.9663 1.4731 1.0525 -0.0201 -0.1084 -0.1910 66 LYS B CD 912 C CE . LYS B 66 ? 1.1034 1.7037 1.1976 -0.0256 -0.1168 -0.2114 66 LYS B CE 913 N NZ . LYS B 66 ? 1.2062 1.8394 1.3177 -0.0276 -0.1177 -0.2083 66 LYS B NZ 914 N N . LEU B 67 ? 0.6162 0.8866 0.6916 0.0020 -0.0866 -0.1226 67 LEU B N 915 C CA . LEU B 67 ? 0.6090 0.8225 0.6771 0.0114 -0.0817 -0.1039 67 LEU B CA 916 C C . LEU B 67 ? 0.6672 0.8787 0.7229 0.0184 -0.0813 -0.1030 67 LEU B C 917 O O . LEU B 67 ? 0.6694 0.9252 0.7166 0.0296 -0.0851 -0.1027 67 LEU B O 918 C CB . LEU B 67 ? 0.6059 0.8173 0.6697 0.0333 -0.0812 -0.0802 67 LEU B CB 919 C CG . LEU B 67 ? 0.6634 0.8204 0.7208 0.0414 -0.0756 -0.0616 67 LEU B CG 920 C CD1 . LEU B 67 ? 0.6637 0.8094 0.7230 0.0515 -0.0736 -0.0492 67 LEU B CD1 921 C CD2 . LEU B 67 ? 0.7053 0.8605 0.7479 0.0574 -0.0735 -0.0468 67 LEU B CD2 922 N N . ARG B 68 ? 0.6238 0.7892 0.6778 0.0137 -0.0764 -0.1014 68 ARG B N 923 C CA . ARG B 68 ? 0.6283 0.7933 0.6715 0.0208 -0.0746 -0.0993 68 ARG B CA 924 C C . ARG B 68 ? 0.6806 0.8114 0.7190 0.0314 -0.0696 -0.0771 68 ARG B C 925 O O . ARG B 68 ? 0.6668 0.7600 0.7120 0.0261 -0.0668 -0.0726 68 ARG B O 926 C CB . ARG B 68 ? 0.6333 0.7920 0.6772 0.0071 -0.0730 -0.1228 68 ARG B CB 927 C CG . ARG B 68 ? 0.7333 0.8401 0.7833 -0.0021 -0.0677 -0.1260 68 ARG B CG 928 C CD . ARG B 68 ? 0.8318 0.9314 0.8791 -0.0108 -0.0647 -0.1488 68 ARG B CD 929 N NE . ARG B 68 ? 0.9105 0.9620 0.9597 -0.0112 -0.0587 -0.1472 68 ARG B NE 930 C CZ . ARG B 68 ? 1.0968 1.1268 1.1432 -0.0160 -0.0536 -0.1650 68 ARG B CZ 931 N NH1 . ARG B 68 ? 0.9571 1.0071 0.9989 -0.0246 -0.0535 -0.1889 68 ARG B NH1 932 N NH2 . ARG B 68 ? 0.9250 0.9143 0.9723 -0.0112 -0.0482 -0.1599 68 ARG B NH2 933 N N . TYR B 69 ? 0.6516 0.7985 0.6775 0.0457 -0.0678 -0.0629 69 TYR B N 934 C CA . TYR B 69 ? 0.6553 0.7744 0.6754 0.0533 -0.0611 -0.0418 69 TYR B CA 935 C C . TYR B 69 ? 0.7214 0.8539 0.7312 0.0574 -0.0571 -0.0398 69 TYR B C 936 O O . TYR B 69 ? 0.7225 0.8930 0.7251 0.0608 -0.0603 -0.0499 69 TYR B O 937 C CB . TYR B 69 ? 0.6803 0.8002 0.6924 0.0688 -0.0593 -0.0207 69 TYR B CB 938 C CG . TYR B 69 ? 0.7192 0.8820 0.7163 0.0860 -0.0606 -0.0125 69 TYR B CG 939 C CD1 . TYR B 69 ? 0.7643 0.9232 0.7451 0.0986 -0.0530 0.0083 69 TYR B CD1 940 C CD2 . TYR B 69 ? 0.7272 0.9381 0.7258 0.0892 -0.0689 -0.0252 69 TYR B CD2 941 C CE1 . TYR B 69 ? 0.7936 0.9943 0.7575 0.1174 -0.0537 0.0186 69 TYR B CE1 942 C CE2 . TYR B 69 ? 0.7552 1.0144 0.7390 0.1071 -0.0713 -0.0180 69 TYR B CE2 943 C CZ . TYR B 69 ? 0.8694 1.1227 0.8346 0.1229 -0.0638 0.0051 69 TYR B CZ 944 O OH . TYR B 69 ? 0.9022 1.2049 0.8498 0.1436 -0.0657 0.0151 69 TYR B OH 945 N N . MET B 70 ? 0.6865 0.7931 0.6957 0.0563 -0.0497 -0.0275 70 MET B N 946 C CA . MET B 70 ? 0.6971 0.8183 0.6973 0.0596 -0.0439 -0.0234 70 MET B CA 947 C C . MET B 70 ? 0.7722 0.9101 0.7546 0.0743 -0.0391 -0.0014 70 MET B C 948 O O . MET B 70 ? 0.7769 0.8878 0.7552 0.0778 -0.0323 0.0191 70 MET B O 949 C CB . MET B 70 ? 0.7222 0.8166 0.7310 0.0508 -0.0374 -0.0200 70 MET B CB 950 C CG . MET B 70 ? 0.7799 0.8933 0.7817 0.0530 -0.0300 -0.0163 70 MET B CG 951 S SD . MET B 70 ? 0.8353 0.9852 0.8326 0.0563 -0.0340 -0.0408 70 MET B SD 952 C CE . MET B 70 ? 0.7804 0.9059 0.7948 0.0479 -0.0347 -0.0580 70 MET B CE 953 N N . ASP B 71 ? 0.7454 0.9269 0.7153 0.0836 -0.0419 -0.0061 71 ASP B N 954 C CA . ASP B 71 ? 0.7710 0.9757 0.7202 0.1016 -0.0375 0.0161 71 ASP B CA 955 C C . ASP B 71 ? 0.8412 1.0552 0.7793 0.1026 -0.0278 0.0247 71 ASP B C 956 O O . ASP B 71 ? 0.8368 1.0882 0.7697 0.1034 -0.0307 0.0092 71 ASP B O 957 C CB . ASP B 71 ? 0.7987 1.0562 0.7399 0.1131 -0.0475 0.0061 71 ASP B CB 958 C CG . ASP B 71 ? 0.9521 1.2343 0.8708 0.1375 -0.0441 0.0328 71 ASP B CG 959 O OD1 . ASP B 71 ? 0.9772 1.2824 0.8782 0.1465 -0.0383 0.0434 71 ASP B OD1 960 O OD2 . ASP B 71 ? 1.0328 1.3138 0.9505 0.1496 -0.0468 0.0435 71 ASP B OD2 961 N N . ASN B 72 ? 0.8167 0.9965 0.7512 0.1008 -0.0154 0.0481 72 ASN B N 962 C CA . ASN B 72 ? 0.8338 1.0184 0.7593 0.0988 -0.0029 0.0607 72 ASN B CA 963 C C . ASN B 72 ? 0.8622 1.0573 0.8024 0.0853 -0.0040 0.0380 72 ASN B C 964 O O . ASN B 72 ? 0.8487 1.0162 0.8038 0.0715 0.0009 0.0377 72 ASN B O 965 C CB . ASN B 72 ? 0.8857 1.1094 0.7844 0.1182 0.0012 0.0776 72 ASN B CB 966 C CG . ASN B 72 ? 1.2542 1.4679 1.1359 0.1371 0.0037 0.1035 72 ASN B CG 967 O OD1 . ASN B 72 ? 1.2168 1.3838 1.0945 0.1366 0.0154 0.1267 72 ASN B OD1 968 N ND2 . ASN B 72 ? 1.1650 1.4238 1.0359 0.1549 -0.0066 0.0992 72 ASN B ND2 969 N N . HIS B 73 ? 0.8122 1.0480 0.7480 0.0900 -0.0105 0.0175 73 HIS B N 970 C CA . HIS B 73 ? 0.7969 1.0424 0.7433 0.0823 -0.0105 -0.0051 73 HIS B CA 971 C C . HIS B 73 ? 0.8247 1.0705 0.7820 0.0781 -0.0223 -0.0365 73 HIS B C 972 O O . HIS B 73 ? 0.8077 1.0397 0.7782 0.0713 -0.0220 -0.0526 73 HIS B O 973 C CB . HIS B 73 ? 0.8259 1.1136 0.7559 0.0903 -0.0032 -0.0034 73 HIS B CB 974 C CG . HIS B 73 ? 0.8660 1.1538 0.8059 0.0831 0.0060 -0.0065 73 HIS B CG 975 N ND1 . HIS B 73 ? 0.8740 1.1606 0.8282 0.0796 0.0017 -0.0335 73 HIS B ND1 976 C CD2 . HIS B 73 ? 0.9004 1.1910 0.8379 0.0794 0.0200 0.0145 73 HIS B CD2 977 C CE1 . HIS B 73 ? 0.8680 1.1621 0.8289 0.0763 0.0119 -0.0282 73 HIS B CE1 978 N NE2 . HIS B 73 ? 0.8870 1.1859 0.8394 0.0738 0.0231 -0.0005 73 HIS B NE2 979 N N . MET B 74 ? 0.7809 1.0438 0.7323 0.0822 -0.0316 -0.0451 74 MET B N 980 C CA . MET B 74 ? 0.7690 1.0319 0.7297 0.0745 -0.0409 -0.0753 74 MET B CA 981 C C . MET B 74 ? 0.7947 1.0417 0.7642 0.0702 -0.0485 -0.0737 74 MET B C 982 O O . MET B 74 ? 0.7934 1.0489 0.7554 0.0795 -0.0489 -0.0531 74 MET B O 983 C CB . MET B 74 ? 0.8168 1.1278 0.7639 0.0787 -0.0448 -0.0973 74 MET B CB 984 C CG . MET B 74 ? 0.8764 1.1973 0.8190 0.0801 -0.0382 -0.1115 74 MET B CG 985 S SD . MET B 74 ? 0.9269 1.2048 0.8870 0.0695 -0.0369 -0.1386 74 MET B SD 986 C CE . MET B 74 ? 0.9001 1.1912 0.8571 0.0601 -0.0451 -0.1758 74 MET B CE 987 N N . PRO B 75 ? 0.7313 0.9552 0.7153 0.0577 -0.0531 -0.0941 75 PRO B N 988 C CA . PRO B 75 ? 0.7149 0.9283 0.7077 0.0530 -0.0591 -0.0924 75 PRO B CA 989 C C . PRO B 75 ? 0.7590 1.0200 0.7448 0.0570 -0.0665 -0.0998 75 PRO B C 990 O O . PRO B 75 ? 0.7668 1.0647 0.7449 0.0560 -0.0692 -0.1194 75 PRO B O 991 C CB . PRO B 75 ? 0.7313 0.9107 0.7384 0.0382 -0.0598 -0.1125 75 PRO B CB 992 C CG . PRO B 75 ? 0.7938 0.9577 0.8005 0.0392 -0.0536 -0.1184 75 PRO B CG 993 C CD . PRO B 75 ? 0.7511 0.9549 0.7428 0.0490 -0.0514 -0.1175 75 PRO B CD 994 N N . ALA B 76 ? 0.6995 0.9634 0.6880 0.0623 -0.0698 -0.0854 76 ALA B N 995 C CA . ALA B 76 ? 0.6986 1.0144 0.6827 0.0690 -0.0775 -0.0898 76 ALA B CA 996 C C . ALA B 76 ? 0.7265 1.0356 0.7264 0.0601 -0.0821 -0.0955 76 ALA B C 997 O O . ALA B 76 ? 0.7080 0.9696 0.7177 0.0547 -0.0785 -0.0871 76 ALA B O 998 C CB . ALA B 76 ? 0.7210 1.0599 0.6874 0.0935 -0.0755 -0.0606 76 ALA B CB 999 N N . ASP B 77 ? 0.6817 1.0440 0.6840 0.0581 -0.0898 -0.1108 77 ASP B N 1000 C CA . ASP B 77 ? 0.6671 1.0363 0.6852 0.0488 -0.0938 -0.1179 77 ASP B CA 1001 C C . ASP B 77 ? 0.7066 1.0935 0.7210 0.0718 -0.0953 -0.0924 77 ASP B C 1002 O O . ASP B 77 ? 0.7144 1.1384 0.7133 0.0947 -0.0969 -0.0772 77 ASP B O 1003 C CB . ASP B 77 ? 0.6980 1.1187 0.7238 0.0304 -0.1003 -0.1512 77 ASP B CB 1004 C CG . ASP B 77 ? 0.8363 1.2238 0.8690 0.0035 -0.0963 -0.1795 77 ASP B CG 1005 O OD1 . ASP B 77 ? 0.8365 1.1601 0.8744 -0.0031 -0.0897 -0.1734 77 ASP B OD1 1006 O OD2 . ASP B 77 ? 0.9298 1.3554 0.9620 -0.0106 -0.0995 -0.2085 77 ASP B OD2 1007 N N . ALA B 78 ? 0.6438 1.0033 0.6710 0.0675 -0.0938 -0.0872 78 ALA B N 1008 C CA . ALA B 78 ? 0.6394 1.0076 0.6650 0.0888 -0.0939 -0.0660 78 ALA B CA 1009 C C . ALA B 78 ? 0.6687 1.0533 0.7134 0.0753 -0.0969 -0.0800 78 ALA B C 1010 O O . ALA B 78 ? 0.6550 1.0235 0.7127 0.0481 -0.0963 -0.1008 78 ALA B O 1011 C CB . ALA B 78 ? 0.6503 0.9530 0.6687 0.0992 -0.0852 -0.0409 78 ALA B CB 1012 N N . GLU B 79 ? 0.6224 1.0392 0.6678 0.0953 -0.0990 -0.0678 79 GLU B N 1013 C CA . GLU B 79 ? 0.6076 1.0494 0.6713 0.0848 -0.1011 -0.0794 79 GLU B CA 1014 C C . GLU B 79 ? 0.6431 1.0217 0.7131 0.0789 -0.0941 -0.0710 79 GLU B C 1015 O O . GLU B 79 ? 0.6415 0.9728 0.7001 0.0958 -0.0886 -0.0498 79 GLU B O 1016 C CB . GLU B 79 ? 0.6332 1.1455 0.6958 0.1117 -0.1063 -0.0711 79 GLU B CB 1017 C CG . GLU B 79 ? 0.7644 1.3593 0.8247 0.1142 -0.1154 -0.0853 79 GLU B CG 1018 C CD . GLU B 79 ? 0.9971 1.6315 1.0760 0.0767 -0.1200 -0.1216 79 GLU B CD 1019 O OE1 . GLU B 79 ? 0.9076 1.5548 1.0060 0.0585 -0.1192 -0.1341 79 GLU B OE1 1020 O OE2 . GLU B 79 ? 0.9283 1.5809 1.0012 0.0650 -0.1234 -0.1381 79 GLU B OE2 1021 N N . ARG B 80 ? 0.5889 0.9680 0.6763 0.0536 -0.0933 -0.0881 80 ARG B N 1022 C CA . ARG B 80 ? 0.5776 0.9069 0.6711 0.0464 -0.0871 -0.0825 80 ARG B CA 1023 C C . ARG B 80 ? 0.6244 0.9708 0.7175 0.0712 -0.0861 -0.0675 80 ARG B C 1024 O O . ARG B 80 ? 0.6174 0.9159 0.7066 0.0781 -0.0806 -0.0555 80 ARG B O 1025 C CB . ARG B 80 ? 0.5773 0.9074 0.6871 0.0130 -0.0851 -0.1036 80 ARG B CB 1026 C CG . ARG B 80 ? 0.7066 0.9803 0.8192 0.0036 -0.0782 -0.0976 80 ARG B CG 1027 C CD . ARG B 80 ? 0.8463 1.1493 0.9702 0.0036 -0.0762 -0.0973 80 ARG B CD 1028 N NE . ARG B 80 ? 0.9585 1.2128 1.0815 0.0007 -0.0698 -0.0887 80 ARG B NE 1029 C CZ . ARG B 80 ? 1.1482 1.3741 1.2617 0.0221 -0.0680 -0.0727 80 ARG B CZ 1030 N NH1 . ARG B 80 ? 1.0000 1.2326 1.1034 0.0484 -0.0706 -0.0611 80 ARG B NH1 1031 N NH2 . ARG B 80 ? 0.9859 1.1754 1.0986 0.0172 -0.0629 -0.0683 80 ARG B NH2 1032 N N . ALA B 81 ? 0.5833 1.0012 0.6801 0.0858 -0.0914 -0.0695 81 ALA B N 1033 C CA . ALA B 81 ? 0.5880 1.0356 0.6841 0.1149 -0.0908 -0.0563 81 ALA B CA 1034 C C . ALA B 81 ? 0.6510 1.0482 0.7260 0.1472 -0.0853 -0.0301 81 ALA B C 1035 O O . ALA B 81 ? 0.6547 1.0334 0.7272 0.1648 -0.0801 -0.0195 81 ALA B O 1036 C CB . ALA B 81 ? 0.6030 1.1438 0.7046 0.1268 -0.0987 -0.0633 81 ALA B CB 1037 N N . GLY B 82 ? 0.6129 0.9871 0.6724 0.1530 -0.0852 -0.0211 82 GLY B N 1038 C CA . GLY B 82 ? 0.6319 0.9547 0.6701 0.1785 -0.0779 0.0036 82 GLY B CA 1039 C C . GLY B 82 ? 0.6754 0.9172 0.7109 0.1662 -0.0698 0.0077 82 GLY B C 1040 O O . GLY B 82 ? 0.6921 0.8873 0.7117 0.1845 -0.0617 0.0259 82 GLY B O 1041 N N . LEU B 83 ? 0.6087 0.8330 0.6585 0.1350 -0.0712 -0.0093 83 LEU B N 1042 C CA . LEU B 83 ? 0.6031 0.7616 0.6519 0.1218 -0.0653 -0.0080 83 LEU B CA 1043 C C . LEU B 83 ? 0.6624 0.8018 0.7108 0.1339 -0.0602 -0.0031 83 LEU B C 1044 O O . LEU B 83 ? 0.6500 0.8277 0.7090 0.1356 -0.0623 -0.0103 83 LEU B O 1045 C CB . LEU B 83 ? 0.5814 0.7324 0.6434 0.0900 -0.0681 -0.0256 83 LEU B CB 1046 C CG . LEU B 83 ? 0.6357 0.7297 0.6975 0.0765 -0.0637 -0.0254 83 LEU B CG 1047 C CD1 . LEU B 83 ? 0.6416 0.7031 0.6947 0.0738 -0.0616 -0.0195 83 LEU B CD1 1048 C CD2 . LEU B 83 ? 0.6520 0.7473 0.7265 0.0525 -0.0653 -0.0400 83 LEU B CD2 1049 N N . PHE B 84 ? 0.6393 0.7214 0.6753 0.1413 -0.0525 0.0077 84 PHE B N 1050 C CA . PHE B 84 ? 0.6532 0.7084 0.6851 0.1532 -0.0461 0.0105 84 PHE B CA 1051 C C . PHE B 84 ? 0.7082 0.7032 0.7363 0.1379 -0.0407 0.0079 84 PHE B C 1052 O O . PHE B 84 ? 0.7046 0.6706 0.7278 0.1276 -0.0390 0.0113 84 PHE B O 1053 C CB . PHE B 84 ? 0.7114 0.7646 0.7275 0.1889 -0.0399 0.0272 84 PHE B CB 1054 C CG . PHE B 84 ? 0.7609 0.7686 0.7580 0.1990 -0.0321 0.0440 84 PHE B CG 1055 C CD1 . PHE B 84 ? 0.8280 0.7683 0.8128 0.2000 -0.0209 0.0492 84 PHE B CD1 1056 C CD2 . PHE B 84 ? 0.7930 0.8267 0.7833 0.2070 -0.0348 0.0541 84 PHE B CD2 1057 C CE1 . PHE B 84 ? 0.8730 0.7691 0.8403 0.2059 -0.0113 0.0651 84 PHE B CE1 1058 C CE2 . PHE B 84 ? 0.8608 0.8526 0.8321 0.2160 -0.0255 0.0721 84 PHE B CE2 1059 C CZ . PHE B 84 ? 0.8655 0.7870 0.8258 0.2144 -0.0131 0.0780 84 PHE B CZ 1060 N N . VAL B 85 ? 0.6692 0.6515 0.6998 0.1365 -0.0380 0.0009 85 VAL B N 1061 C CA . VAL B 85 ? 0.6746 0.6087 0.7013 0.1234 -0.0336 -0.0045 85 VAL B CA 1062 C C . VAL B 85 ? 0.7601 0.6699 0.7758 0.1436 -0.0250 -0.0030 85 VAL B C 1063 O O . VAL B 85 ? 0.7555 0.6972 0.7744 0.1590 -0.0254 -0.0042 85 VAL B O 1064 C CB . VAL B 85 ? 0.6951 0.6400 0.7343 0.0992 -0.0390 -0.0172 85 VAL B CB 1065 C CG1 . VAL B 85 ? 0.7002 0.6043 0.7345 0.0873 -0.0357 -0.0230 85 VAL B CG1 1066 C CG2 . VAL B 85 ? 0.6687 0.6348 0.7175 0.0825 -0.0457 -0.0196 85 VAL B CG2 1067 N N . ARG B 86 ? 0.7494 0.6037 0.7520 0.1433 -0.0164 -0.0014 86 ARG B N 1068 C CA . ARG B 86 ? 0.7876 0.6069 0.7768 0.1614 -0.0061 -0.0024 86 ARG B CA 1069 C C . ARG B 86 ? 0.8633 0.6266 0.8444 0.1446 0.0011 -0.0119 86 ARG B C 1070 O O . ARG B 86 ? 0.8556 0.5993 0.8375 0.1254 0.0013 -0.0108 86 ARG B O 1071 C CB . ARG B 86 ? 0.8281 0.6383 0.8028 0.1947 0.0018 0.0146 86 ARG B CB 1072 C CG . ARG B 86 ? 0.9820 0.7600 0.9454 0.1950 0.0075 0.0300 86 ARG B CG 1073 C CD . ARG B 86 ? 1.1546 0.9145 1.0986 0.2318 0.0180 0.0495 86 ARG B CD 1074 N NE . ARG B 86 ? 1.3176 1.0116 1.2441 0.2435 0.0334 0.0481 86 ARG B NE 1075 C CZ . ARG B 86 ? 1.5177 1.2109 1.4373 0.2716 0.0385 0.0463 86 ARG B CZ 1076 N NH1 . ARG B 86 ? 1.3317 1.0928 1.2623 0.2902 0.0292 0.0466 86 ARG B NH1 1077 N NH2 . ARG B 86 ? 1.3969 1.0226 1.2987 0.2806 0.0540 0.0428 86 ARG B NH2 1078 N N . THR B 87 ? 0.8467 0.5888 0.8204 0.1515 0.0074 -0.0229 87 THR B N 1079 C CA . THR B 87 ? 0.8750 0.5664 0.8396 0.1361 0.0151 -0.0364 87 THR B CA 1080 C C . THR B 87 ? 0.9885 0.6257 0.9327 0.1597 0.0311 -0.0318 87 THR B C 1081 O O . THR B 87 ? 1.0136 0.6147 0.9477 0.1640 0.0395 -0.0179 87 THR B O 1082 C CB . THR B 87 ? 0.9564 0.6682 0.9275 0.1214 0.0092 -0.0556 87 THR B CB 1083 O OG1 . THR B 87 ? 0.9516 0.6930 0.9229 0.1424 0.0089 -0.0572 87 THR B OG1 1084 C CG2 . THR B 87 ? 0.8869 0.6355 0.8739 0.0970 -0.0034 -0.0578 87 THR B CG2 1085 N N . SER B 88 ? 0.9690 0.6000 0.9055 0.1773 0.0363 -0.0419 88 SER B N 1086 C CA . SER B 88 ? 1.0319 0.6107 0.9473 0.2059 0.0527 -0.0381 88 SER B CA 1087 C C . SER B 88 ? 1.0780 0.6975 0.9936 0.2442 0.0510 -0.0207 88 SER B C 1088 O O . SER B 88 ? 1.1231 0.7083 1.0211 0.2759 0.0634 -0.0076 88 SER B O 1089 C CB . SER B 88 ? 1.1056 0.6586 1.0121 0.2048 0.0596 -0.0619 88 SER B CB 1090 O OG . SER B 88 ? 1.1788 0.7918 1.0963 0.2113 0.0500 -0.0703 88 SER B OG 1091 N N . ALA B 89 ? 0.9776 0.6718 0.9130 0.2403 0.0363 -0.0208 89 ALA B N 1092 C CA . ALA B 89 ? 0.9591 0.7141 0.9019 0.2681 0.0310 -0.0091 89 ALA B CA 1093 C C . ALA B 89 ? 0.9461 0.7651 0.9114 0.2451 0.0150 -0.0075 89 ALA B C 1094 O O . ALA B 89 ? 0.9134 0.7267 0.8868 0.2123 0.0092 -0.0169 89 ALA B O 1095 C CB . ALA B 89 ? 0.9753 0.7546 0.9186 0.2865 0.0338 -0.0209 89 ALA B CB 1096 N N . PRO B 90 ? 0.8824 0.7629 0.8574 0.2611 0.0082 0.0028 90 PRO B N 1097 C CA . PRO B 90 ? 0.8280 0.7615 0.8228 0.2360 -0.0052 0.0009 90 PRO B CA 1098 C C . PRO B 90 ? 0.8424 0.8020 0.8526 0.2092 -0.0112 -0.0150 90 PRO B C 1099 O O . PRO B 90 ? 0.8429 0.8131 0.8532 0.2169 -0.0075 -0.0234 90 PRO B O 1100 C CB . PRO B 90 ? 0.8453 0.8425 0.8462 0.2608 -0.0095 0.0109 90 PRO B CB 1101 C CG . PRO B 90 ? 0.9533 0.9195 0.9337 0.3003 0.0014 0.0252 90 PRO B CG 1102 C CD . PRO B 90 ? 0.9290 0.8350 0.8969 0.3027 0.0125 0.0158 90 PRO B CD 1103 N N . CYS B 91 ? 0.7681 0.7363 0.7891 0.1793 -0.0192 -0.0181 91 CYS B N 1104 C CA . CYS B 91 ? 0.7373 0.7249 0.7705 0.1533 -0.0241 -0.0293 91 CYS B CA 1105 C C . CYS B 91 ? 0.7587 0.8099 0.8092 0.1465 -0.0303 -0.0303 91 CYS B C 1106 O O . CYS B 91 ? 0.7520 0.8335 0.8067 0.1557 -0.0337 -0.0242 91 CYS B O 1107 C CB . CYS B 91 ? 0.7301 0.6844 0.7630 0.1273 -0.0274 -0.0319 91 CYS B CB 1108 S SG . CYS B 91 ? 0.8127 0.6995 0.8287 0.1263 -0.0200 -0.0358 91 CYS B SG 1109 N N . THR B 92 ? 0.6969 0.7684 0.7566 0.1285 -0.0310 -0.0382 92 THR B N 1110 C CA . THR B 92 ? 0.6726 0.7986 0.7492 0.1143 -0.0344 -0.0414 92 THR B CA 1111 C C . THR B 92 ? 0.7015 0.8113 0.7829 0.0854 -0.0386 -0.0434 92 THR B C 1112 O O . THR B 92 ? 0.6950 0.7779 0.7724 0.0717 -0.0371 -0.0454 92 THR B O 1113 C CB . THR B 92 ? 0.7756 0.9335 0.8577 0.1149 -0.0293 -0.0468 92 THR B CB 1114 O OG1 . THR B 92 ? 0.7948 0.9633 0.8706 0.1463 -0.0246 -0.0454 92 THR B OG1 1115 C CG2 . THR B 92 ? 0.7420 0.9576 0.8429 0.0965 -0.0303 -0.0509 92 THR B CG2 1116 N N . ILE B 93 ? 0.6448 0.7714 0.7329 0.0786 -0.0437 -0.0429 93 ILE B N 1117 C CA . ILE B 93 ? 0.6288 0.7393 0.7206 0.0543 -0.0467 -0.0458 93 ILE B CA 1118 C C . ILE B 93 ? 0.6693 0.8060 0.7729 0.0320 -0.0443 -0.0524 93 ILE B C 1119 O O . ILE B 93 ? 0.6619 0.8478 0.7774 0.0291 -0.0442 -0.0575 93 ILE B O 1120 C CB . ILE B 93 ? 0.6653 0.7807 0.7571 0.0557 -0.0520 -0.0447 93 ILE B CB 1121 C CG1 . ILE B 93 ? 0.6836 0.7687 0.7615 0.0770 -0.0515 -0.0351 93 ILE B CG1 1122 C CG2 . ILE B 93 ? 0.6656 0.7608 0.7599 0.0327 -0.0538 -0.0493 93 ILE B CG2 1123 C CD1 . ILE B 93 ? 0.7796 0.8873 0.8552 0.0899 -0.0549 -0.0300 93 ILE B CD1 1124 N N . THR B 94 ? 0.6254 0.7307 0.7253 0.0165 -0.0414 -0.0517 94 THR B N 1125 C CA . THR B 94 ? 0.6246 0.7414 0.7316 -0.0053 -0.0359 -0.0545 94 THR B CA 1126 C C . THR B 94 ? 0.6738 0.7754 0.7845 -0.0268 -0.0358 -0.0584 94 THR B C 1127 O O . THR B 94 ? 0.6769 0.7932 0.7957 -0.0471 -0.0299 -0.0628 94 THR B O 1128 C CB . THR B 94 ? 0.7333 0.8319 0.8314 -0.0048 -0.0305 -0.0494 94 THR B CB 1129 O OG1 . THR B 94 ? 0.7259 0.7815 0.8114 0.0015 -0.0337 -0.0453 94 THR B OG1 1130 C CG2 . THR B 94 ? 0.7199 0.8472 0.8178 0.0114 -0.0275 -0.0500 94 THR B CG2 1131 N N . GLY B 95 ? 0.6260 0.6978 0.7305 -0.0229 -0.0408 -0.0573 95 GLY B N 1132 C CA . GLY B 95 ? 0.6294 0.6825 0.7351 -0.0389 -0.0404 -0.0621 95 GLY B CA 1133 C C . GLY B 95 ? 0.6722 0.7076 0.7727 -0.0297 -0.0466 -0.0620 95 GLY B C 1134 O O . GLY B 95 ? 0.6609 0.6783 0.7536 -0.0151 -0.0494 -0.0550 95 GLY B O 1135 N N . THR B 96 ? 0.6324 0.6742 0.7370 -0.0399 -0.0479 -0.0712 96 THR B N 1136 C CA . THR B 96 ? 0.6269 0.6576 0.7265 -0.0328 -0.0527 -0.0724 96 THR B CA 1137 C C . THR B 96 ? 0.6887 0.7021 0.7887 -0.0484 -0.0499 -0.0825 96 THR B C 1138 O O . THR B 96 ? 0.6956 0.7260 0.8026 -0.0656 -0.0468 -0.0945 96 THR B O 1139 C CB . THR B 96 ? 0.7207 0.7902 0.8223 -0.0208 -0.0583 -0.0742 96 THR B CB 1140 O OG1 . THR B 96 ? 0.7191 0.8334 0.8311 -0.0308 -0.0582 -0.0846 96 THR B OG1 1141 C CG2 . THR B 96 ? 0.6968 0.7650 0.7922 0.0007 -0.0598 -0.0619 96 THR B CG2 1142 N N . MET B 97 ? 0.6457 0.6265 0.7383 -0.0427 -0.0504 -0.0789 97 MET B N 1143 C CA . MET B 97 ? 0.6589 0.6167 0.7489 -0.0515 -0.0470 -0.0878 97 MET B CA 1144 C C . MET B 97 ? 0.6997 0.6388 0.7829 -0.0375 -0.0498 -0.0821 97 MET B C 1145 O O . MET B 97 ? 0.6905 0.6109 0.7699 -0.0290 -0.0498 -0.0709 97 MET B O 1146 C CB . MET B 97 ? 0.7116 0.6372 0.7998 -0.0647 -0.0378 -0.0875 97 MET B CB 1147 C CG . MET B 97 ? 0.7861 0.6847 0.8710 -0.0759 -0.0315 -0.0998 97 MET B CG 1148 S SD . MET B 97 ? 0.8487 0.7812 0.9412 -0.0938 -0.0324 -0.1248 97 MET B SD 1149 C CE . MET B 97 ? 0.8120 0.7721 0.9158 -0.1155 -0.0276 -0.1290 97 MET B CE 1150 N N . GLY B 98 ? 0.6558 0.6061 0.7379 -0.0359 -0.0521 -0.0908 98 GLY B N 1151 C CA . GLY B 98 ? 0.6492 0.5902 0.7263 -0.0242 -0.0538 -0.0870 98 GLY B CA 1152 C C . GLY B 98 ? 0.6782 0.6266 0.7541 -0.0120 -0.0575 -0.0734 98 GLY B C 1153 O O . GLY B 98 ? 0.6662 0.6369 0.7427 -0.0081 -0.0602 -0.0700 98 GLY B O 1154 N N . HIS B 99 ? 0.6289 0.5587 0.7029 -0.0058 -0.0569 -0.0658 99 HIS B N 1155 C CA . HIS B 99 ? 0.6148 0.5465 0.6880 0.0013 -0.0586 -0.0555 99 HIS B CA 1156 C C . HIS B 99 ? 0.6554 0.5822 0.7290 0.0011 -0.0589 -0.0497 99 HIS B C 1157 O O . HIS B 99 ? 0.6453 0.5699 0.7173 0.0051 -0.0592 -0.0438 99 HIS B O 1158 C CB . HIS B 99 ? 0.6253 0.5477 0.6986 0.0054 -0.0579 -0.0529 99 HIS B CB 1159 C CG . HIS B 99 ? 0.6714 0.6026 0.7438 0.0085 -0.0568 -0.0575 99 HIS B CG 1160 N ND1 . HIS B 99 ? 0.6905 0.6380 0.7606 0.0107 -0.0567 -0.0546 99 HIS B ND1 1161 C CD2 . HIS B 99 ? 0.7027 0.6278 0.7745 0.0115 -0.0548 -0.0637 99 HIS B CD2 1162 C CE1 . HIS B 99 ? 0.6883 0.6433 0.7572 0.0135 -0.0550 -0.0601 99 HIS B CE1 1163 N NE2 . HIS B 99 ? 0.7000 0.6416 0.7703 0.0146 -0.0539 -0.0667 99 HIS B NE2 1164 N N . PHE B 100 ? 0.6139 0.5382 0.6889 -0.0048 -0.0575 -0.0522 100 PHE B N 1165 C CA . PHE B 100 ? 0.6092 0.5313 0.6835 -0.0045 -0.0569 -0.0474 100 PHE B CA 1166 C C . PHE B 100 ? 0.6523 0.5935 0.7292 -0.0051 -0.0565 -0.0486 100 PHE B C 1167 O O . PHE B 100 ? 0.6488 0.6062 0.7301 -0.0116 -0.0559 -0.0550 100 PHE B O 1168 C CB . PHE B 100 ? 0.6411 0.5463 0.7128 -0.0076 -0.0542 -0.0449 100 PHE B CB 1169 C CG . PHE B 100 ? 0.6624 0.5566 0.7313 -0.0014 -0.0555 -0.0415 100 PHE B CG 1170 C CD1 . PHE B 100 ? 0.6973 0.5939 0.7642 0.0030 -0.0580 -0.0376 100 PHE B CD1 1171 C CD2 . PHE B 100 ? 0.6963 0.5820 0.7651 0.0003 -0.0542 -0.0443 100 PHE B CD2 1172 C CE1 . PHE B 100 ? 0.7107 0.6078 0.7772 0.0081 -0.0599 -0.0359 100 PHE B CE1 1173 C CE2 . PHE B 100 ? 0.7339 0.6176 0.8015 0.0085 -0.0556 -0.0412 100 PHE B CE2 1174 C CZ . PHE B 100 ? 0.7042 0.5968 0.7717 0.0120 -0.0588 -0.0368 100 PHE B CZ 1175 N N . ILE B 101 ? 0.6049 0.5465 0.6791 0.0019 -0.0566 -0.0439 101 ILE B N 1176 C CA . ILE B 101 ? 0.6027 0.5632 0.6783 0.0068 -0.0556 -0.0438 101 ILE B CA 1177 C C . ILE B 101 ? 0.6530 0.6068 0.7256 0.0072 -0.0532 -0.0420 101 ILE B C 1178 O O . ILE B 101 ? 0.6506 0.5865 0.7175 0.0096 -0.0536 -0.0402 101 ILE B O 1179 C CB . ILE B 101 ? 0.6450 0.6101 0.7167 0.0207 -0.0562 -0.0397 101 ILE B CB 1180 C CG1 . ILE B 101 ? 0.6498 0.6240 0.7215 0.0221 -0.0583 -0.0396 101 ILE B CG1 1181 C CG2 . ILE B 101 ? 0.6566 0.6443 0.7292 0.0310 -0.0548 -0.0389 101 ILE B CG2 1182 C CD1 . ILE B 101 ? 0.7493 0.7089 0.8131 0.0324 -0.0567 -0.0316 101 ILE B CD1 1183 N N . LEU B 102 ? 0.6075 0.5807 0.6839 0.0042 -0.0504 -0.0435 102 LEU B N 1184 C CA . LEU B 102 ? 0.6083 0.5826 0.6809 0.0059 -0.0471 -0.0420 102 LEU B CA 1185 C C . LEU B 102 ? 0.6620 0.6556 0.7350 0.0191 -0.0461 -0.0431 102 LEU B C 1186 O O . LEU B 102 ? 0.6555 0.6774 0.7360 0.0210 -0.0463 -0.0449 102 LEU B O 1187 C CB . LEU B 102 ? 0.6128 0.5953 0.6886 -0.0075 -0.0423 -0.0414 102 LEU B CB 1188 C CG . LEU B 102 ? 0.6778 0.6355 0.7498 -0.0171 -0.0406 -0.0379 102 LEU B CG 1189 C CD1 . LEU B 102 ? 0.6922 0.6520 0.7631 -0.0281 -0.0327 -0.0339 102 LEU B CD1 1190 C CD2 . LEU B 102 ? 0.7084 0.6455 0.7713 -0.0089 -0.0440 -0.0339 102 LEU B CD2 1191 N N . ALA B 103 ? 0.6273 0.6070 0.6917 0.0295 -0.0447 -0.0432 103 ALA B N 1192 C CA . ALA B 103 ? 0.6353 0.6256 0.6973 0.0463 -0.0420 -0.0441 103 ALA B CA 1193 C C . ALA B 103 ? 0.6982 0.6824 0.7518 0.0528 -0.0379 -0.0480 103 ALA B C 1194 O O . ALA B 103 ? 0.6961 0.6591 0.7424 0.0469 -0.0385 -0.0506 103 ALA B O 1195 C CB . ALA B 103 ? 0.6534 0.6246 0.7102 0.0580 -0.0426 -0.0410 103 ALA B CB 1196 N N . ARG B 104 ? 0.6644 0.6722 0.7189 0.0662 -0.0339 -0.0494 104 ARG B N 1197 C CA . ARG B 104 ? 0.6796 0.6855 0.7251 0.0766 -0.0287 -0.0550 104 ARG B CA 1198 C C . ARG B 104 ? 0.7528 0.7359 0.7896 0.0978 -0.0255 -0.0561 104 ARG B C 1199 O O . ARG B 104 ? 0.7522 0.7538 0.7928 0.1136 -0.0244 -0.0514 104 ARG B O 1200 C CB . ARG B 104 ? 0.6824 0.7328 0.7351 0.0782 -0.0247 -0.0556 104 ARG B CB 1201 C CG . ARG B 104 ? 0.8123 0.8751 0.8688 0.0569 -0.0241 -0.0531 104 ARG B CG 1202 C CD . ARG B 104 ? 0.9603 1.0622 1.0201 0.0575 -0.0172 -0.0541 104 ARG B CD 1203 N NE . ARG B 104 ? 1.0993 1.1948 1.1453 0.0697 -0.0131 -0.0599 104 ARG B NE 1204 C CZ . ARG B 104 ? 1.2816 1.3670 1.3165 0.0616 -0.0119 -0.0600 104 ARG B CZ 1205 N NH1 . ARG B 104 ? 1.1158 1.1929 1.1512 0.0436 -0.0136 -0.0520 104 ARG B NH1 1206 N NH2 . ARG B 104 ? 1.1204 1.2044 1.1419 0.0732 -0.0084 -0.0683 104 ARG B NH2 1207 N N . CYS B 105 ? 0.7280 0.6703 0.7525 0.0974 -0.0235 -0.0621 105 CYS B N 1208 C CA . CYS B 105 ? 0.7567 0.6620 0.7700 0.1135 -0.0177 -0.0632 105 CYS B CA 1209 C C . CYS B 105 ? 0.8356 0.7219 0.8354 0.1258 -0.0098 -0.0751 105 CYS B C 1210 O O . CYS B 105 ? 0.8312 0.7186 0.8270 0.1141 -0.0106 -0.0856 105 CYS B O 1211 C CB . CYS B 105 ? 0.7640 0.6324 0.7744 0.0999 -0.0194 -0.0619 105 CYS B CB 1212 S SG . CYS B 105 ? 0.7878 0.6715 0.8097 0.0936 -0.0259 -0.0484 105 CYS B SG 1213 N N . PRO B 106 ? 0.8224 0.6869 0.8124 0.1504 -0.0015 -0.0740 106 PRO B N 1214 C CA . PRO B 106 ? 0.8574 0.6941 0.8320 0.1623 0.0077 -0.0882 106 PRO B CA 1215 C C . PRO B 106 ? 0.9279 0.7088 0.8910 0.1461 0.0112 -0.0992 106 PRO B C 1216 O O . PRO B 106 ? 0.9095 0.6766 0.8776 0.1290 0.0069 -0.0931 106 PRO B O 1217 C CB . PRO B 106 ? 0.9106 0.7413 0.8785 0.1965 0.0162 -0.0805 106 PRO B CB 1218 C CG . PRO B 106 ? 0.9568 0.7874 0.9305 0.1989 0.0127 -0.0628 106 PRO B CG 1219 C CD . PRO B 106 ? 0.8518 0.7143 0.8419 0.1704 0.0007 -0.0597 106 PRO B CD 1220 N N . LYS B 107 ? 0.9198 0.6715 0.8680 0.1503 0.0194 -0.1172 107 LYS B N 1221 C CA . LYS B 107 ? 0.9478 0.6494 0.8852 0.1319 0.0241 -0.1330 107 LYS B CA 1222 C C . LYS B 107 ? 1.0229 0.6723 0.9555 0.1325 0.0315 -0.1227 107 LYS B C 1223 O O . LYS B 107 ? 1.0465 0.6740 0.9712 0.1592 0.0403 -0.1111 107 LYS B O 1224 C CB . LYS B 107 ? 1.0240 0.7025 0.9443 0.1399 0.0336 -0.1563 107 LYS B CB 1225 C CG . LYS B 107 ? 1.2304 0.8713 1.1417 0.1138 0.0366 -0.1791 107 LYS B CG 1226 C CD . LYS B 107 ? 1.4094 1.0183 1.3009 0.1237 0.0486 -0.2044 107 LYS B CD 1227 C CE . LYS B 107 ? 1.5831 1.1466 1.4652 0.0963 0.0542 -0.2290 107 LYS B CE 1228 N NZ . LYS B 107 ? 1.7569 1.2875 1.6183 0.1043 0.0664 -0.2576 107 LYS B NZ 1229 N N . GLY B 108 ? 0.9696 0.6043 0.9068 0.1047 0.0282 -0.1254 108 GLY B N 1230 C CA . GLY B 108 ? 0.9926 0.5809 0.9258 0.0996 0.0359 -0.1152 108 GLY B CA 1231 C C . GLY B 108 ? 1.0465 0.6155 0.9825 0.0653 0.0358 -0.1278 108 GLY B C 1232 O O . GLY B 108 ? 1.0223 0.6199 0.9642 0.0458 0.0275 -0.1445 108 GLY B O 1233 N N . GLU B 109 ? 1.0303 0.5543 0.9616 0.0585 0.0457 -0.1189 109 GLU B N 1234 C CA . GLU B 109 ? 1.0376 0.5431 0.9729 0.0244 0.0483 -0.1296 109 GLU B CA 1235 C C . GLU B 109 ? 1.0490 0.5711 0.9964 0.0153 0.0437 -0.1091 109 GLU B C 1236 O O . GLU B 109 ? 1.0392 0.5635 0.9948 -0.0132 0.0431 -0.1163 109 GLU B O 1237 C CB . GLU B 109 ? 1.1320 0.5617 1.0492 0.0169 0.0684 -0.1428 109 GLU B CB 1238 C CG . GLU B 109 ? 1.3047 0.7172 1.2095 0.0191 0.0733 -0.1704 109 GLU B CG 1239 C CD . GLU B 109 ? 1.5503 1.0088 1.4644 -0.0067 0.0609 -0.1970 109 GLU B CD 1240 O OE1 . GLU B 109 ? 1.4959 0.9670 1.4207 -0.0386 0.0573 -0.2057 109 GLU B OE1 1241 O OE2 . GLU B 109 ? 1.4613 0.9467 1.3713 0.0061 0.0555 -0.2090 109 GLU B OE2 1242 N N . THR B 110 ? 0.9785 0.5186 0.9277 0.0396 0.0402 -0.0853 110 THR B N 1243 C CA . THR B 110 ? 0.9452 0.5061 0.9038 0.0362 0.0355 -0.0658 110 THR B CA 1244 C C . THR B 110 ? 0.9343 0.5533 0.9044 0.0520 0.0208 -0.0552 110 THR B C 1245 O O . THR B 110 ? 0.9208 0.5565 0.8891 0.0697 0.0177 -0.0580 110 THR B O 1246 C CB . THR B 110 ? 1.0858 0.5984 1.0297 0.0495 0.0508 -0.0459 110 THR B CB 1247 O OG1 . THR B 110 ? 1.1015 0.5991 1.0317 0.0842 0.0565 -0.0366 110 THR B OG1 1248 C CG2 . THR B 110 ? 1.1228 0.5749 1.0571 0.0265 0.0676 -0.0540 110 THR B CG2 1249 N N . LEU B 111 ? 0.8520 0.5018 0.8337 0.0442 0.0128 -0.0446 111 LEU B N 1250 C CA . LEU B 111 ? 0.8029 0.5028 0.7951 0.0550 0.0007 -0.0363 111 LEU B CA 1251 C C . LEU B 111 ? 0.8458 0.5524 0.8378 0.0618 0.0014 -0.0180 111 LEU B C 1252 O O . LEU B 111 ? 0.8394 0.5398 0.8344 0.0459 0.0031 -0.0154 111 LEU B O 1253 C CB . LEU B 111 ? 0.7613 0.4994 0.7679 0.0375 -0.0117 -0.0469 111 LEU B CB 1254 C CG . LEU B 111 ? 0.7839 0.5653 0.7992 0.0466 -0.0215 -0.0432 111 LEU B CG 1255 C CD1 . LEU B 111 ? 0.7712 0.5713 0.7903 0.0392 -0.0272 -0.0553 111 LEU B CD1 1256 C CD2 . LEU B 111 ? 0.7874 0.5934 0.8123 0.0411 -0.0280 -0.0351 111 LEU B CD2 1257 N N . THR B 112 ? 0.8010 0.5250 0.7892 0.0861 0.0004 -0.0060 112 THR B N 1258 C CA . THR B 112 ? 0.7985 0.5366 0.7839 0.0972 0.0005 0.0112 112 THR B CA 1259 C C . THR B 112 ? 0.8061 0.6018 0.8042 0.1007 -0.0125 0.0107 112 THR B C 1260 O O . THR B 112 ? 0.7884 0.6093 0.7910 0.1102 -0.0170 0.0056 112 THR B O 1261 C CB . THR B 112 ? 0.9479 0.6556 0.9143 0.1248 0.0126 0.0270 112 THR B CB 1262 O OG1 . THR B 112 ? 0.9891 0.6348 0.9430 0.1175 0.0269 0.0250 112 THR B OG1 1263 C CG2 . THR B 112 ? 0.9363 0.6597 0.8958 0.1386 0.0136 0.0471 112 THR B CG2 1264 N N . VAL B 113 ? 0.7441 0.5605 0.7478 0.0915 -0.0173 0.0145 113 VAL B N 1265 C CA . VAL B 113 ? 0.7092 0.5752 0.7234 0.0916 -0.0278 0.0121 113 VAL B CA 1266 C C . VAL B 113 ? 0.7719 0.6516 0.7780 0.1032 -0.0263 0.0259 113 VAL B C 1267 O O . VAL B 113 ? 0.7781 0.6378 0.7788 0.0959 -0.0210 0.0324 113 VAL B O 1268 C CB . VAL B 113 ? 0.7252 0.6043 0.7534 0.0686 -0.0354 -0.0007 113 VAL B CB 1269 C CG1 . VAL B 113 ? 0.6985 0.6186 0.7348 0.0667 -0.0434 -0.0039 113 VAL B CG1 1270 C CG2 . VAL B 113 ? 0.7145 0.5888 0.7482 0.0614 -0.0374 -0.0118 113 VAL B CG2 1271 N N . GLY B 114 ? 0.7287 0.6464 0.7336 0.1213 -0.0305 0.0301 114 GLY B N 1272 C CA . GLY B 114 ? 0.7388 0.6796 0.7341 0.1362 -0.0302 0.0431 114 GLY B CA 1273 C C . GLY B 114 ? 0.7674 0.7712 0.7712 0.1399 -0.0409 0.0360 114 GLY B C 1274 O O . GLY B 114 ? 0.7388 0.7671 0.7571 0.1300 -0.0476 0.0213 114 GLY B O 1275 N N . PHE B 115 ? 0.7359 0.7675 0.7298 0.1530 -0.0417 0.0462 115 PHE B N 1276 C CA . PHE B 115 ? 0.7191 0.8168 0.7186 0.1565 -0.0517 0.0382 115 PHE B CA 1277 C C . PHE B 115 ? 0.7967 0.9210 0.7778 0.1823 -0.0499 0.0563 115 PHE B C 1278 O O . PHE B 115 ? 0.8182 0.9027 0.7819 0.1937 -0.0396 0.0762 115 PHE B O 1279 C CB . PHE B 115 ? 0.7125 0.8236 0.7253 0.1282 -0.0583 0.0185 115 PHE B CB 1280 C CG . PHE B 115 ? 0.7372 0.8406 0.7412 0.1232 -0.0559 0.0229 115 PHE B CG 1281 C CD1 . PHE B 115 ? 0.7741 0.9259 0.7750 0.1253 -0.0615 0.0171 115 PHE B CD1 1282 C CD2 . PHE B 115 ? 0.7721 0.8250 0.7714 0.1156 -0.0475 0.0312 115 PHE B CD2 1283 C CE1 . PHE B 115 ? 0.7921 0.9399 0.7838 0.1220 -0.0584 0.0210 115 PHE B CE1 1284 C CE2 . PHE B 115 ? 0.8130 0.8644 0.8054 0.1108 -0.0442 0.0354 115 PHE B CE2 1285 C CZ . PHE B 115 ? 0.7871 0.8851 0.7751 0.1151 -0.0494 0.0309 115 PHE B CZ 1286 N N . THR B 116 ? 0.7507 0.9440 0.7352 0.1901 -0.0594 0.0492 116 THR B N 1287 C CA . THR B 116 ? 0.7738 1.0095 0.7409 0.2158 -0.0603 0.0641 116 THR B CA 1288 C C . THR B 116 ? 0.8090 1.0859 0.7801 0.1975 -0.0682 0.0475 116 THR B C 1289 O O . THR B 116 ? 0.7780 1.0884 0.7673 0.1762 -0.0770 0.0219 116 THR B O 1290 C CB . THR B 116 ? 0.8860 1.1765 0.8528 0.2442 -0.0650 0.0687 116 THR B CB 1291 O OG1 . THR B 116 ? 0.9043 1.1472 0.8654 0.2620 -0.0558 0.0832 116 THR B OG1 1292 C CG2 . THR B 116 ? 0.8922 1.2363 0.8396 0.2750 -0.0672 0.0853 116 THR B CG2 1293 N N . ASP B 117 ? 0.7861 1.0573 0.7391 0.2050 -0.0634 0.0615 117 ASP B N 1294 C CA . ASP B 117 ? 0.7739 1.0816 0.7273 0.1903 -0.0692 0.0457 117 ASP B CA 1295 C C . ASP B 117 ? 0.8295 1.2234 0.7775 0.2053 -0.0794 0.0391 117 ASP B C 1296 O O . ASP B 117 ? 0.8268 1.2612 0.7790 0.2208 -0.0848 0.0394 117 ASP B O 1297 C CB . ASP B 117 ? 0.8121 1.0792 0.7512 0.1867 -0.0591 0.0598 117 ASP B CB 1298 C CG . ASP B 117 ? 0.9835 1.2434 0.8953 0.2161 -0.0490 0.0933 117 ASP B CG 1299 O OD1 . ASP B 117 ? 1.0062 1.3242 0.9039 0.2395 -0.0537 0.1009 117 ASP B OD1 1300 O OD2 . ASP B 117 ? 1.0779 1.2763 0.9813 0.2142 -0.0357 0.1114 117 ASP B OD2 1301 N N . SER B 118 ? 0.7887 1.2155 0.7278 0.2006 -0.0822 0.0312 118 SER B N 1302 C CA . SER B 118 ? 0.7936 1.3076 0.7260 0.2117 -0.0925 0.0209 118 SER B CA 1303 C C . SER B 118 ? 0.8734 1.4200 0.7823 0.2540 -0.0905 0.0528 118 SER B C 1304 O O . SER B 118 ? 0.8705 1.4785 0.7833 0.2702 -0.0990 0.0496 118 SER B O 1305 C CB . SER B 118 ? 0.8391 1.3711 0.7644 0.1973 -0.0937 0.0054 118 SER B CB 1306 O OG . SER B 118 ? 0.9237 1.4222 0.8684 0.1626 -0.0942 -0.0226 118 SER B OG 1307 N N . ARG B 119 ? 0.8569 1.3623 0.7413 0.2724 -0.0781 0.0845 119 ARG B N 1308 C CA . ARG B 119 ? 0.8963 1.4184 0.7531 0.3155 -0.0724 0.1207 119 ARG B CA 1309 C C . ARG B 119 ? 0.9602 1.4108 0.8137 0.3317 -0.0605 0.1460 119 ARG B C 1310 O O . ARG B 119 ? 0.9941 1.3919 0.8239 0.3505 -0.0452 0.1790 119 ARG B O 1311 C CB . ARG B 119 ? 0.9324 1.4582 0.7599 0.3285 -0.0642 0.1424 119 ARG B CB 1312 C CG . ARG B 119 ? 1.0454 1.5521 0.8779 0.2958 -0.0618 0.1245 119 ARG B CG 1313 C CD . ARG B 119 ? 1.1373 1.7176 0.9807 0.2770 -0.0767 0.0860 119 ARG B CD 1314 N NE . ARG B 119 ? 1.2434 1.9183 1.0742 0.3021 -0.0880 0.0847 119 ARG B NE 1315 C CZ . ARG B 119 ? 1.3899 2.1346 1.2382 0.2899 -0.1036 0.0501 119 ARG B CZ 1316 N NH1 . ARG B 119 ? 1.1883 1.9118 1.0658 0.2533 -0.1084 0.0160 119 ARG B NH1 1317 N NH2 . ARG B 119 ? 1.2351 2.0727 1.0715 0.3139 -0.1139 0.0497 119 ARG B NH2 1318 N N . LYS B 120 ? 0.8883 1.3378 0.7650 0.3233 -0.0665 0.1292 120 LYS B N 1319 C CA . LYS B 120 ? 0.8967 1.2847 0.7750 0.3347 -0.0572 0.1439 120 LYS B CA 1320 C C . LYS B 120 ? 0.9419 1.2332 0.8220 0.3098 -0.0441 0.1475 120 LYS B C 1321 O O . LYS B 120 ? 0.8983 1.1744 0.8013 0.2751 -0.0490 0.1215 120 LYS B O 1322 C CB . LYS B 120 ? 0.9774 1.3775 0.8306 0.3855 -0.0508 0.1777 120 LYS B CB 1323 C CG . LYS B 120 ? 1.1797 1.5089 1.0286 0.4030 -0.0382 0.1949 120 LYS B CG 1324 C CD . LYS B 120 ? 1.2696 1.6179 1.1455 0.3948 -0.0466 0.1716 120 LYS B CD 1325 C CE . LYS B 120 ? 1.4252 1.6932 1.2947 0.4082 -0.0323 0.1860 120 LYS B CE 1326 N NZ . LYS B 120 ? 1.5026 1.7867 1.3978 0.3979 -0.0392 0.1630 120 LYS B NZ 1327 N N . ILE B 121 ? 0.9399 1.1699 0.7956 0.3264 -0.0272 0.1790 121 ILE B N 1328 C CA . ILE B 121 ? 0.9453 1.0873 0.7999 0.3046 -0.0125 0.1853 121 ILE B CA 1329 C C . ILE B 121 ? 0.9522 1.0570 0.8336 0.2744 -0.0157 0.1602 121 ILE B C 1330 O O . ILE B 121 ? 0.9049 1.0217 0.8061 0.2431 -0.0239 0.1355 121 ILE B O 1331 C CB . ILE B 121 ? 0.9899 1.1254 0.8350 0.2884 -0.0065 0.1908 121 ILE B CB 1332 C CG1 . ILE B 121 ? 1.0330 1.2143 0.8494 0.3201 -0.0040 0.2157 121 ILE B CG1 1333 C CG2 . ILE B 121 ? 1.0214 1.0700 0.8624 0.2702 0.0115 0.2024 121 ILE B CG2 1334 C CD1 . ILE B 121 ? 1.1203 1.3346 0.9324 0.3043 -0.0055 0.2098 121 ILE B CD1 1335 N N . SER B 122 ? 0.9246 0.9846 0.8045 0.2862 -0.0085 0.1673 122 SER B N 1336 C CA . SER B 122 ? 0.8925 0.9191 0.7939 0.2618 -0.0106 0.1460 122 SER B CA 1337 C C . SER B 122 ? 0.9370 0.9000 0.8414 0.2315 -0.0010 0.1430 122 SER B C 1338 O O . SER B 122 ? 0.9751 0.8834 0.8612 0.2370 0.0150 0.1633 122 SER B O 1339 C CB . SER B 122 ? 0.9630 0.9656 0.8596 0.2860 -0.0052 0.1533 122 SER B CB 1340 O OG . SER B 122 ? 1.0672 1.1406 0.9681 0.3098 -0.0163 0.1503 122 SER B OG 1341 N N . HIS B 123 ? 0.8440 0.8166 0.7710 0.1997 -0.0101 0.1178 123 HIS B N 1342 C CA . HIS B 123 ? 0.8319 0.7591 0.7662 0.1704 -0.0040 0.1109 123 HIS B CA 1343 C C . HIS B 123 ? 0.8560 0.7562 0.8057 0.1560 -0.0063 0.0940 123 HIS B C 1344 O O . HIS B 123 ? 0.8171 0.7513 0.7822 0.1514 -0.0181 0.0770 123 HIS B O 1345 C CB . HIS B 123 ? 0.8074 0.7693 0.7534 0.1494 -0.0121 0.0966 123 HIS B CB 1346 C CG . HIS B 123 ? 0.8657 0.8592 0.7963 0.1614 -0.0102 0.1101 123 HIS B CG 1347 N ND1 . HIS B 123 ? 0.9221 0.8848 0.8365 0.1620 0.0042 0.1304 123 HIS B ND1 1348 C CD2 . HIS B 123 ? 0.8748 0.9301 0.8040 0.1712 -0.0206 0.1043 123 HIS B CD2 1349 C CE1 . HIS B 123 ? 0.9213 0.9283 0.8234 0.1748 0.0022 0.1385 123 HIS B CE1 1350 N NE2 . HIS B 123 ? 0.8977 0.9625 0.8081 0.1808 -0.0132 0.1220 123 HIS B NE2 1351 N N . SER B 124 ? 0.8333 0.6736 0.7778 0.1480 0.0059 0.0983 124 SER B N 1352 C CA . SER B 124 ? 0.8176 0.6314 0.7735 0.1346 0.0049 0.0822 124 SER B CA 1353 C C . SER B 124 ? 0.8641 0.6379 0.8247 0.1065 0.0122 0.0755 124 SER B C 1354 O O . SER B 124 ? 0.8838 0.6354 0.8348 0.1010 0.0231 0.0880 124 SER B O 1355 C CB . SER B 124 ? 0.8980 0.6828 0.8414 0.1584 0.0125 0.0901 124 SER B CB 1356 O OG . SER B 124 ? 1.0655 0.7956 0.9875 0.1681 0.0301 0.1096 124 SER B OG 1357 N N . CYS B 125 ? 0.7921 0.5619 0.7674 0.0887 0.0065 0.0561 125 CYS B N 1358 C CA . CYS B 125 ? 0.7897 0.5328 0.7719 0.0620 0.0112 0.0460 125 CYS B CA 1359 C C . CYS B 125 ? 0.8510 0.5652 0.8345 0.0568 0.0131 0.0328 125 CYS B C 1360 O O . CYS B 125 ? 0.8180 0.5554 0.8107 0.0588 0.0028 0.0209 125 CYS B O 1361 C CB . CYS B 125 ? 0.7486 0.5292 0.7481 0.0439 0.0005 0.0343 125 CYS B CB 1362 S SG . CYS B 125 ? 0.7982 0.5628 0.8080 0.0132 0.0053 0.0229 125 CYS B SG 1363 N N . THR B 126 ? 0.8533 0.5159 0.8264 0.0492 0.0276 0.0344 126 THR B N 1364 C CA . THR B 126 ? 0.8716 0.5015 0.8427 0.0432 0.0318 0.0195 126 THR B CA 1365 C C . THR B 126 ? 0.9199 0.5441 0.9021 0.0102 0.0325 0.0019 126 THR B C 1366 O O . THR B 126 ? 0.9344 0.5422 0.9159 -0.0072 0.0420 0.0061 126 THR B O 1367 C CB . THR B 126 ? 1.0268 0.5998 0.9757 0.0619 0.0486 0.0312 126 THR B CB 1368 O OG1 . THR B 126 ? 1.0164 0.6092 0.9568 0.0955 0.0457 0.0478 126 THR B OG1 1369 C CG2 . THR B 126 ? 1.0304 0.5682 0.9750 0.0587 0.0537 0.0132 126 THR B CG2 1370 N N . HIS B 127 ? 0.8548 0.4977 0.8470 0.0022 0.0227 -0.0173 127 HIS B N 1371 C CA . HIS B 127 ? 0.8481 0.4978 0.8512 -0.0258 0.0204 -0.0365 127 HIS B CA 1372 C C . HIS B 127 ? 0.9245 0.5482 0.9209 -0.0289 0.0240 -0.0545 127 HIS B C 1373 O O . HIS B 127 ? 0.9121 0.5390 0.9033 -0.0089 0.0200 -0.0549 127 HIS B O 1374 C CB . HIS B 127 ? 0.8036 0.5096 0.8236 -0.0300 0.0038 -0.0425 127 HIS B CB 1375 C CG . HIS B 127 ? 0.8281 0.5595 0.8580 -0.0394 0.0018 -0.0354 127 HIS B CG 1376 N ND1 . HIS B 127 ? 0.8340 0.5935 0.8777 -0.0589 -0.0031 -0.0470 127 HIS B ND1 1377 C CD2 . HIS B 127 ? 0.8473 0.5843 0.8745 -0.0298 0.0041 -0.0188 127 HIS B CD2 1378 C CE1 . HIS B 127 ? 0.8144 0.5933 0.8637 -0.0602 -0.0029 -0.0373 127 HIS B CE1 1379 N NE2 . HIS B 127 ? 0.8261 0.5919 0.8653 -0.0438 0.0014 -0.0207 127 HIS B NE2 1380 N N . PRO B 128 ? 0.9129 0.5151 0.9098 -0.0548 0.0315 -0.0714 128 PRO B N 1381 C CA . PRO B 128 ? 0.9382 0.5188 0.9277 -0.0584 0.0343 -0.0924 128 PRO B CA 1382 C C . PRO B 128 ? 0.9468 0.5805 0.9468 -0.0584 0.0173 -0.1057 128 PRO B C 1383 O O . PRO B 128 ? 0.9135 0.5877 0.9274 -0.0753 0.0081 -0.1129 128 PRO B O 1384 C CB . PRO B 128 ? 1.0050 0.5533 0.9936 -0.0907 0.0473 -0.1081 128 PRO B CB 1385 C CG . PRO B 128 ? 1.0575 0.6102 1.0532 -0.1026 0.0523 -0.0922 128 PRO B CG 1386 C CD . PRO B 128 ? 0.9435 0.5462 0.9488 -0.0835 0.0376 -0.0749 128 PRO B CD 1387 N N . PHE B 129 ? 0.9011 0.5376 0.8939 -0.0370 0.0135 -0.1066 129 PHE B N 1388 C CA . PHE B 129 ? 0.8640 0.5470 0.8633 -0.0339 -0.0003 -0.1154 129 PHE B CA 1389 C C . PHE B 129 ? 0.9399 0.6085 0.9265 -0.0221 0.0031 -0.1282 129 PHE B C 1390 O O . PHE B 129 ? 0.9442 0.5966 0.9226 0.0013 0.0079 -0.1182 129 PHE B O 1391 C CB . PHE B 129 ? 0.8399 0.5611 0.8483 -0.0188 -0.0110 -0.0970 129 PHE B CB 1392 C CG . PHE B 129 ? 0.8280 0.5907 0.8409 -0.0147 -0.0226 -0.1015 129 PHE B CG 1393 C CD1 . PHE B 129 ? 0.8471 0.6437 0.8686 -0.0282 -0.0316 -0.1080 129 PHE B CD1 1394 C CD2 . PHE B 129 ? 0.8488 0.6191 0.8568 0.0039 -0.0235 -0.0975 129 PHE B CD2 1395 C CE1 . PHE B 129 ? 0.8367 0.6672 0.8589 -0.0223 -0.0403 -0.1086 129 PHE B CE1 1396 C CE2 . PHE B 129 ? 0.8609 0.6669 0.8716 0.0061 -0.0318 -0.0995 129 PHE B CE2 1397 C CZ . PHE B 129 ? 0.8210 0.6536 0.8374 -0.0065 -0.0396 -0.1040 129 PHE B CZ 1398 N N . HIS B 130 ? 0.9089 0.5897 0.8940 -0.0370 0.0003 -0.1509 130 HIS B N 1399 C CA . HIS B 130 ? 0.9316 0.6040 0.9038 -0.0274 0.0033 -0.1667 130 HIS B CA 1400 C C . HIS B 130 ? 0.9388 0.6566 0.9138 -0.0092 -0.0072 -0.1579 130 HIS B C 1401 O O . HIS B 130 ? 0.9024 0.6647 0.8847 -0.0167 -0.0185 -0.1595 130 HIS B O 1402 C CB . HIS B 130 ? 0.9695 0.6435 0.9380 -0.0514 0.0041 -0.1964 130 HIS B CB 1403 C CG . HIS B 130 ? 1.0383 0.7083 0.9921 -0.0421 0.0069 -0.2155 130 HIS B CG 1404 N ND1 . HIS B 130 ? 1.1145 0.7272 1.0521 -0.0327 0.0223 -0.2250 130 HIS B ND1 1405 C CD2 . HIS B 130 ? 1.0423 0.7588 0.9939 -0.0390 -0.0028 -0.2257 130 HIS B CD2 1406 C CE1 . HIS B 130 ? 1.1173 0.7456 1.0446 -0.0249 0.0210 -0.2427 130 HIS B CE1 1407 N NE2 . HIS B 130 ? 1.0786 0.7705 1.0135 -0.0289 0.0060 -0.2432 130 HIS B NE2 1408 N N . HIS B 131 ? 0.8971 0.6047 0.8663 0.0153 -0.0026 -0.1473 131 HIS B N 1409 C CA . HIS B 131 ? 0.8622 0.6109 0.8345 0.0307 -0.0096 -0.1390 131 HIS B CA 1410 C C . HIS B 131 ? 0.9382 0.6818 0.8973 0.0457 -0.0032 -0.1518 131 HIS B C 1411 O O . HIS B 131 ? 0.9656 0.6752 0.9156 0.0629 0.0073 -0.1513 131 HIS B O 1412 C CB . HIS B 131 ? 0.8448 0.6049 0.8261 0.0448 -0.0117 -0.1155 131 HIS B CB 1413 C CG . HIS B 131 ? 0.8565 0.6598 0.8433 0.0549 -0.0175 -0.1079 131 HIS B CG 1414 N ND1 . HIS B 131 ? 0.8471 0.6852 0.8413 0.0436 -0.0266 -0.1052 131 HIS B ND1 1415 C CD2 . HIS B 131 ? 0.8782 0.6946 0.8640 0.0747 -0.0141 -0.1022 131 HIS B CD2 1416 C CE1 . HIS B 131 ? 0.8241 0.6904 0.8210 0.0538 -0.0272 -0.0980 131 HIS B CE1 1417 N NE2 . HIS B 131 ? 0.8441 0.7031 0.8376 0.0717 -0.0204 -0.0968 131 HIS B NE2 1418 N N . ASP B 132 ? 0.8839 0.6618 0.8402 0.0409 -0.0090 -0.1630 132 ASP B N 1419 C CA . ASP B 132 ? 0.9020 0.6874 0.8456 0.0537 -0.0042 -0.1767 132 ASP B CA 1420 C C . ASP B 132 ? 0.9152 0.7555 0.8614 0.0498 -0.0138 -0.1736 132 ASP B C 1421 O O . ASP B 132 ? 0.9157 0.7725 0.8562 0.0365 -0.0185 -0.1881 132 ASP B O 1422 C CB . ASP B 132 ? 0.9764 0.7251 0.9051 0.0449 0.0038 -0.2048 132 ASP B CB 1423 C CG . ASP B 132 ? 1.1438 0.8818 1.0563 0.0638 0.0134 -0.2203 132 ASP B CG 1424 O OD1 . ASP B 132 ? 1.1356 0.8982 1.0494 0.0856 0.0143 -0.2080 132 ASP B OD1 1425 O OD2 . ASP B 132 ? 1.2640 0.9700 1.1627 0.0561 0.0209 -0.2463 132 ASP B OD2 1426 N N . PRO B 133 ? 0.8369 0.7072 0.7918 0.0597 -0.0166 -0.1536 133 PRO B N 1427 C CA . PRO B 133 ? 0.8104 0.7254 0.7660 0.0554 -0.0230 -0.1469 133 PRO B CA 1428 C C . PRO B 133 ? 0.8786 0.8162 0.8191 0.0620 -0.0197 -0.1608 133 PRO B C 1429 O O . PRO B 133 ? 0.8930 0.8227 0.8269 0.0770 -0.0113 -0.1687 133 PRO B O 1430 C CB . PRO B 133 ? 0.8040 0.7365 0.7724 0.0619 -0.0233 -0.1248 133 PRO B CB 1431 C CG . PRO B 133 ? 0.8729 0.7849 0.8434 0.0773 -0.0162 -0.1244 133 PRO B CG 1432 C CD . PRO B 133 ? 0.8445 0.7109 0.8084 0.0743 -0.0132 -0.1368 133 PRO B CD 1433 N N . PRO B 134 ? 0.8322 0.8003 0.7656 0.0535 -0.0258 -0.1638 134 PRO B N 1434 C CA . PRO B 134 ? 0.8501 0.8447 0.7668 0.0603 -0.0225 -0.1770 134 PRO B CA 1435 C C . PRO B 134 ? 0.8859 0.9085 0.8029 0.0735 -0.0165 -0.1623 134 PRO B C 1436 O O . PRO B 134 ? 0.8542 0.8854 0.7842 0.0723 -0.0173 -0.1401 134 PRO B O 1437 C CB . PRO B 134 ? 0.8689 0.8937 0.7786 0.0491 -0.0317 -0.1789 134 PRO B CB 1438 C CG . PRO B 134 ? 0.8951 0.9186 0.8196 0.0419 -0.0383 -0.1567 134 PRO B CG 1439 C CD . PRO B 134 ? 0.8322 0.8153 0.7710 0.0404 -0.0355 -0.1544 134 PRO B CD 1440 N N . VAL B 135 ? 0.8637 0.9018 0.7666 0.0848 -0.0096 -0.1765 135 VAL B N 1441 C CA . VAL B 135 ? 0.8569 0.9278 0.7593 0.0971 -0.0020 -0.1659 135 VAL B CA 1442 C C . VAL B 135 ? 0.8888 1.0001 0.7879 0.0902 -0.0040 -0.1466 135 VAL B C 1443 O O . VAL B 135 ? 0.8909 1.0171 0.7762 0.0846 -0.0093 -0.1510 135 VAL B O 1444 C CB . VAL B 135 ? 0.9411 1.0152 0.8290 0.1140 0.0075 -0.1883 135 VAL B CB 1445 C CG1 . VAL B 135 ? 0.9655 1.0528 0.8314 0.1102 0.0057 -0.2107 135 VAL B CG1 1446 C CG2 . VAL B 135 ? 0.9334 1.0450 0.8253 0.1279 0.0166 -0.1769 135 VAL B CG2 1447 N N . ILE B 136 ? 0.8265 0.9552 0.7378 0.0902 0.0007 -0.1250 136 ILE B N 1448 C CA . ILE B 136 ? 0.8176 0.9766 0.7252 0.0833 0.0030 -0.1038 136 ILE B CA 1449 C C . ILE B 136 ? 0.8851 1.0830 0.7798 0.0933 0.0133 -0.1076 136 ILE B C 1450 O O . ILE B 136 ? 0.8801 1.0916 0.7838 0.1014 0.0215 -0.1093 136 ILE B O 1451 C CB . ILE B 136 ? 0.8330 0.9857 0.7604 0.0727 0.0041 -0.0807 136 ILE B CB 1452 C CG1 . ILE B 136 ? 0.8242 0.9442 0.7590 0.0629 -0.0061 -0.0752 136 ILE B CG1 1453 C CG2 . ILE B 136 ? 0.8449 1.0269 0.7689 0.0660 0.0131 -0.0594 136 ILE B CG2 1454 C CD1 . ILE B 136 ? 0.9290 1.0519 0.8492 0.0586 -0.0123 -0.0675 136 ILE B CD1 1455 N N . GLY B 137 ? 0.8582 1.0781 0.7314 0.0944 0.0125 -0.1101 137 GLY B N 1456 C CA . GLY B 137 ? 0.8770 1.1374 0.7334 0.1042 0.0220 -0.1149 137 GLY B CA 1457 C C . GLY B 137 ? 0.9512 1.2100 0.7930 0.1163 0.0215 -0.1479 137 GLY B C 1458 O O . GLY B 137 ? 0.9529 1.1893 0.7883 0.1125 0.0122 -0.1654 137 GLY B O 1459 N N . ARG B 138 ? 0.9254 1.2083 0.7623 0.1302 0.0324 -0.1580 138 ARG B N 1460 C CA . ARG B 138 ? 0.9563 1.2359 0.7770 0.1442 0.0352 -0.1913 138 ARG B CA 1461 C C . ARG B 138 ? 1.0190 1.2862 0.8508 0.1615 0.0444 -0.2022 138 ARG B C 1462 O O . ARG B 138 ? 1.0456 1.3139 0.8629 0.1775 0.0509 -0.2278 138 ARG B O 1463 C CB . ARG B 138 ? 0.9795 1.3083 0.7741 0.1500 0.0401 -0.1973 138 ARG B CB 1464 C CG . ARG B 138 ? 1.1023 1.4410 0.8787 0.1398 0.0293 -0.1990 138 ARG B CG 1465 C CD . ARG B 138 ? 1.2287 1.6243 0.9793 0.1459 0.0347 -0.1938 138 ARG B CD 1466 N NE . ARG B 138 ? 1.3522 1.7697 1.0869 0.1616 0.0440 -0.2218 138 ARG B NE 1467 C CZ . ARG B 138 ? 1.5529 1.9720 1.2671 0.1656 0.0403 -0.2575 138 ARG B CZ 1468 N NH1 . ARG B 138 ? 1.3879 1.7941 1.0964 0.1534 0.0268 -0.2699 138 ARG B NH1 1469 N NH2 . ARG B 138 ? 1.4138 1.8501 1.1132 0.1814 0.0506 -0.2830 138 ARG B NH2 1470 N N . GLU B 139 ? 0.9548 1.2113 0.8113 0.1600 0.0449 -0.1837 139 GLU B N 1471 C CA . GLU B 139 ? 0.9608 1.2122 0.8294 0.1792 0.0526 -0.1895 139 GLU B CA 1472 C C . GLU B 139 ? 1.0005 1.2076 0.8882 0.1761 0.0461 -0.1823 139 GLU B C 1473 O O . GLU B 139 ? 0.9623 1.1703 0.8656 0.1592 0.0400 -0.1610 139 GLU B O 1474 C CB . GLU B 139 ? 0.9663 1.2760 0.8461 0.1845 0.0628 -0.1732 139 GLU B CB 1475 C CG . GLU B 139 ? 1.1178 1.4723 0.9782 0.1968 0.0733 -0.1847 139 GLU B CG 1476 C CD . GLU B 139 ? 1.3316 1.7496 1.2026 0.1955 0.0844 -0.1661 139 GLU B CD 1477 O OE1 . GLU B 139 ? 1.2357 1.6728 1.1279 0.2050 0.0896 -0.1613 139 GLU B OE1 1478 O OE2 . GLU B 139 ? 1.2422 1.6943 1.0997 0.1855 0.0887 -0.1563 139 GLU B OE2 1479 N N . LYS B 140 ? 0.9905 1.1566 0.8748 0.1931 0.0487 -0.2000 140 LYS B N 1480 C CA . LYS B 140 ? 0.9834 1.1059 0.8818 0.1942 0.0445 -0.1933 140 LYS B CA 1481 C C . LYS B 140 ? 1.0316 1.1818 0.9479 0.2126 0.0502 -0.1801 140 LYS B C 1482 O O . LYS B 140 ? 1.0550 1.1937 0.9670 0.2398 0.0582 -0.1903 140 LYS B O 1483 C CB . LYS B 140 ? 1.0560 1.1155 0.9394 0.2024 0.0466 -0.2167 140 LYS B CB 1484 C CG . LYS B 140 ? 1.2492 1.2834 1.1199 0.1795 0.0391 -0.2307 140 LYS B CG 1485 C CD . LYS B 140 ? 1.4220 1.3929 1.2789 0.1838 0.0439 -0.2562 140 LYS B CD 1486 C CE . LYS B 140 ? 1.5683 1.5242 1.4147 0.1584 0.0364 -0.2737 140 LYS B CE 1487 N NZ . LYS B 140 ? 1.7351 1.6268 1.5686 0.1575 0.0433 -0.3008 140 LYS B NZ 1488 N N . PHE B 141 ? 0.9584 1.1472 0.8942 0.1981 0.0468 -0.1581 141 PHE B N 1489 C CA . PHE B 141 ? 0.9454 1.1748 0.9017 0.2095 0.0507 -0.1459 141 PHE B CA 1490 C C . PHE B 141 ? 0.9889 1.1926 0.9606 0.2085 0.0435 -0.1350 141 PHE B C 1491 O O . PHE B 141 ? 0.9743 1.1335 0.9436 0.1927 0.0354 -0.1326 141 PHE B O 1492 C CB . PHE B 141 ? 0.9447 1.2364 0.9129 0.1921 0.0539 -0.1317 141 PHE B CB 1493 C CG . PHE B 141 ? 0.9387 1.2214 0.9124 0.1599 0.0466 -0.1161 141 PHE B CG 1494 C CD1 . PHE B 141 ? 0.9841 1.2533 0.9401 0.1461 0.0445 -0.1167 141 PHE B CD1 1495 C CD2 . PHE B 141 ? 0.9396 1.2306 0.9349 0.1450 0.0424 -0.1011 141 PHE B CD2 1496 C CE1 . PHE B 141 ? 0.9768 1.2360 0.9361 0.1212 0.0389 -0.1006 141 PHE B CE1 1497 C CE2 . PHE B 141 ? 0.9575 1.2348 0.9560 0.1175 0.0374 -0.0875 141 PHE B CE2 1498 C CZ . PHE B 141 ? 0.9412 1.2012 0.9214 0.1073 0.0361 -0.0862 141 PHE B CZ 1499 N N . HIS B 142 ? 0.9518 1.1899 0.9391 0.2265 0.0466 -0.1285 142 HIS B N 1500 C CA . HIS B 142 ? 0.9418 1.1669 0.9424 0.2303 0.0405 -0.1179 142 HIS B CA 1501 C C . HIS B 142 ? 0.9578 1.2242 0.9815 0.2047 0.0345 -0.1029 142 HIS B C 1502 O O . HIS B 142 ? 0.9353 1.1716 0.9633 0.1870 0.0262 -0.0957 142 HIS B O 1503 C CB . HIS B 142 ? 0.9782 1.2150 0.9793 0.2696 0.0468 -0.1202 142 HIS B CB 1504 C CG . HIS B 142 ? 1.0696 1.2509 1.0463 0.2953 0.0544 -0.1353 142 HIS B CG 1505 N ND1 . HIS B 142 ? 1.1183 1.3124 1.0815 0.3086 0.0638 -0.1508 142 HIS B ND1 1506 C CD2 . HIS B 142 ? 1.1221 1.2340 1.0850 0.3082 0.0552 -0.1377 142 HIS B CD2 1507 C CE1 . HIS B 142 ? 1.1570 1.2871 1.0989 0.3286 0.0698 -0.1642 142 HIS B CE1 1508 N NE2 . HIS B 142 ? 1.1666 1.2437 1.1075 0.3282 0.0657 -0.1562 142 HIS B NE2 1509 N N . SER B 143 ? 0.9083 1.2435 0.9469 0.2016 0.0400 -0.0996 143 SER B N 1510 C CA . SER B 143 ? 0.8786 1.2554 0.9396 0.1744 0.0371 -0.0886 143 SER B CA 1511 C C . SER B 143 ? 0.9234 1.3117 0.9828 0.1439 0.0414 -0.0838 143 SER B C 1512 O O . SER B 143 ? 0.9331 1.3390 0.9816 0.1495 0.0496 -0.0883 143 SER B O 1513 C CB . SER B 143 ? 0.9218 1.3724 1.0035 0.1887 0.0410 -0.0880 143 SER B CB 1514 O OG . SER B 143 ? 1.0498 1.5473 1.1299 0.2018 0.0520 -0.0940 143 SER B OG 1515 N N . ARG B 144 ? 0.8631 1.2404 0.9315 0.1134 0.0369 -0.0741 144 ARG B N 1516 C CA . ARG B 144 ? 0.8606 1.2403 0.9254 0.0853 0.0423 -0.0656 144 ARG B CA 1517 C C . ARG B 144 ? 0.9058 1.3529 0.9861 0.0718 0.0541 -0.0618 144 ARG B C 1518 O O . ARG B 144 ? 0.8888 1.3770 0.9918 0.0652 0.0541 -0.0624 144 ARG B O 1519 C CB . ARG B 144 ? 0.8603 1.1942 0.9247 0.0608 0.0353 -0.0568 144 ARG B CB 1520 C CG . ARG B 144 ? 1.0015 1.3420 1.0863 0.0490 0.0297 -0.0551 144 ARG B CG 1521 C CD . ARG B 144 ? 1.1561 1.4398 1.2349 0.0360 0.0213 -0.0502 144 ARG B CD 1522 N NE . ARG B 144 ? 1.2837 1.5754 1.3800 0.0148 0.0193 -0.0478 144 ARG B NE 1523 C CZ . ARG B 144 ? 1.4905 1.7796 1.5910 -0.0137 0.0257 -0.0409 144 ARG B CZ 1524 N NH1 . ARG B 144 ? 1.3597 1.6397 1.4475 -0.0228 0.0346 -0.0321 144 ARG B NH1 1525 N NH2 . ARG B 144 ? 1.3234 1.6174 1.4391 -0.0330 0.0241 -0.0429 144 ARG B NH2 1526 N N . PRO B 145 ? 0.8744 1.3387 0.9427 0.0676 0.0646 -0.0586 145 PRO B N 1527 C CA . PRO B 145 ? 0.8754 1.4065 0.9585 0.0533 0.0781 -0.0545 145 PRO B CA 1528 C C . PRO B 145 ? 0.9219 1.4507 1.0131 0.0134 0.0851 -0.0405 145 PRO B C 1529 O O . PRO B 145 ? 0.9190 1.3910 0.9979 -0.0001 0.0809 -0.0317 145 PRO B O 1530 C CB . PRO B 145 ? 0.9182 1.4662 0.9813 0.0697 0.0872 -0.0574 145 PRO B CB 1531 C CG . PRO B 145 ? 0.9820 1.4644 1.0181 0.0766 0.0792 -0.0580 145 PRO B CG 1532 C CD . PRO B 145 ? 0.9095 1.3392 0.9501 0.0754 0.0650 -0.0593 145 PRO B CD 1533 N N . GLN B 146 ? 0.8776 1.4689 0.9894 -0.0055 0.0970 -0.0389 146 GLN B N 1534 C CA . GLN B 146 ? 0.8840 1.4757 1.0044 -0.0468 0.1082 -0.0270 146 GLN B CA 1535 C C . GLN B 146 ? 0.9539 1.5253 1.0496 -0.0554 0.1209 -0.0112 146 GLN B C 1536 O O . GLN B 146 ? 0.9624 1.4813 1.0460 -0.0753 0.1235 0.0028 146 GLN B O 1537 C CB . GLN B 146 ? 0.9002 1.5729 1.0512 -0.0656 0.1185 -0.0327 146 GLN B CB 1538 C CG . GLN B 146 ? 1.0753 1.7735 1.2522 -0.0662 0.1071 -0.0458 146 GLN B CG 1539 C CD . GLN B 146 ? 1.3154 2.0965 1.5232 -0.0931 0.1182 -0.0518 146 GLN B CD 1540 O OE1 . GLN B 146 ? 1.2674 2.0432 1.4870 -0.1344 0.1257 -0.0497 146 GLN B OE1 1541 N NE2 . GLN B 146 ? 1.2054 2.0656 1.4267 -0.0710 0.1207 -0.0604 146 GLN B NE2 1542 N N . HIS B 147 ? 0.9151 1.5295 1.0017 -0.0376 0.1292 -0.0130 147 HIS B N 1543 C CA . HIS B 147 ? 0.9366 1.5454 0.9974 -0.0401 0.1415 0.0011 147 HIS B CA 1544 C C . HIS B 147 ? 0.9769 1.5579 1.0100 -0.0056 0.1313 -0.0062 147 HIS B C 1545 O O . HIS B 147 ? 0.9589 1.5534 0.9953 0.0228 0.1226 -0.0243 147 HIS B O 1546 C CB . HIS B 147 ? 0.9617 1.6480 1.0327 -0.0491 0.1608 0.0033 147 HIS B CB 1547 C CG . HIS B 147 ? 1.0316 1.7269 1.0737 -0.0399 0.1724 0.0135 147 HIS B CG 1548 N ND1 . HIS B 147 ? 1.0560 1.7958 1.0899 -0.0086 0.1735 0.0002 147 HIS B ND1 1549 C CD2 . HIS B 147 ? 1.0820 1.7458 1.0997 -0.0554 0.1830 0.0356 147 HIS B CD2 1550 C CE1 . HIS B 147 ? 1.0752 1.8142 1.0809 -0.0082 0.1842 0.0131 147 HIS B CE1 1551 N NE2 . HIS B 147 ? 1.0961 1.7911 1.0907 -0.0350 0.1900 0.0360 147 HIS B NE2 1552 N N . GLY B 148 ? 0.9451 1.4883 0.9505 -0.0086 0.1334 0.0076 148 GLY B N 1553 C CA . GLY B 148 ? 0.9452 1.4654 0.9226 0.0183 0.1244 0.0001 148 GLY B CA 1554 C C . GLY B 148 ? 1.0044 1.4850 0.9541 0.0113 0.1252 0.0187 148 GLY B C 1555 O O . GLY B 148 ? 1.0136 1.4795 0.9633 -0.0131 0.1352 0.0404 148 GLY B O 1556 N N . LYS B 149 ? 0.9578 1.4213 0.8830 0.0332 0.1152 0.0095 149 LYS B N 1557 C CA . LYS B 149 ? 0.9711 1.4058 0.8677 0.0332 0.1132 0.0249 149 LYS B CA 1558 C C . LYS B 149 ? 1.0011 1.3779 0.9036 0.0233 0.1017 0.0327 149 LYS B C 1559 O O . LYS B 149 ? 0.9704 1.3238 0.8870 0.0292 0.0877 0.0159 149 LYS B O 1560 C CB . LYS B 149 ? 1.0109 1.4544 0.8825 0.0585 0.1047 0.0068 149 LYS B CB 1561 C CG . LYS B 149 ? 1.2062 1.6454 1.0451 0.0618 0.1053 0.0230 149 LYS B CG 1562 C CD . LYS B 149 ? 1.3285 1.7729 1.1462 0.0833 0.0928 -0.0010 149 LYS B CD 1563 C CE . LYS B 149 ? 1.4784 1.9301 1.2631 0.0888 0.0921 0.0140 149 LYS B CE 1564 N NZ . LYS B 149 ? 1.5912 2.0541 1.3565 0.1064 0.0794 -0.0138 149 LYS B NZ 1565 N N . GLU B 150 ? 0.9743 1.3272 0.8651 0.0093 0.1092 0.0590 150 GLU B N 1566 C CA . GLU B 150 ? 0.9639 1.2623 0.8575 0.0018 0.1006 0.0683 150 GLU B CA 1567 C C . GLU B 150 ? 1.0096 1.2894 0.8805 0.0212 0.0860 0.0652 150 GLU B C 1568 O O . GLU B 150 ? 1.0323 1.3211 0.8758 0.0292 0.0906 0.0806 150 GLU B O 1569 C CB . GLU B 150 ? 1.0103 1.2856 0.9009 -0.0204 0.1172 0.0975 150 GLU B CB 1570 C CG . GLU B 150 ? 1.1372 1.4199 1.0572 -0.0466 0.1280 0.0957 150 GLU B CG 1571 C CD . GLU B 150 ? 1.4305 1.6742 1.3492 -0.0722 0.1436 0.1199 150 GLU B CD 1572 O OE1 . GLU B 150 ? 1.3882 1.6377 1.2891 -0.0806 0.1626 0.1427 150 GLU B OE1 1573 O OE2 . GLU B 150 ? 1.3547 1.5602 1.2890 -0.0841 0.1381 0.1159 150 GLU B OE2 1574 N N . LEU B 151 ? 0.9347 1.1938 0.8168 0.0289 0.0689 0.0449 151 LEU B N 1575 C CA . LEU B 151 ? 0.9303 1.1760 0.7962 0.0436 0.0540 0.0372 151 LEU B CA 1576 C C . LEU B 151 ? 0.9634 1.1643 0.8385 0.0385 0.0442 0.0431 151 LEU B C 1577 O O . LEU B 151 ? 0.9361 1.1166 0.8348 0.0275 0.0431 0.0387 151 LEU B O 1578 C CB . LEU B 151 ? 0.9178 1.1792 0.7849 0.0573 0.0439 0.0057 151 LEU B CB 1579 C CG . LEU B 151 ? 0.9981 1.3029 0.8447 0.0698 0.0496 -0.0041 151 LEU B CG 1580 C CD1 . LEU B 151 ? 0.9919 1.3005 0.8427 0.0815 0.0425 -0.0371 151 LEU B CD1 1581 C CD2 . LEU B 151 ? 1.0536 1.3719 0.8698 0.0785 0.0466 0.0052 151 LEU B CD2 1582 N N . PRO B 152 ? 0.9325 1.1226 0.7891 0.0477 0.0371 0.0525 152 PRO B N 1583 C CA . PRO B 152 ? 0.9198 1.0708 0.7853 0.0451 0.0286 0.0580 152 PRO B CA 1584 C C . PRO B 152 ? 0.9372 1.0766 0.8212 0.0457 0.0137 0.0322 152 PRO B C 1585 O O . PRO B 152 ? 0.9256 1.0829 0.8045 0.0544 0.0051 0.0115 152 PRO B O 1586 C CB . PRO B 152 ? 0.9676 1.1229 0.8069 0.0593 0.0255 0.0746 152 PRO B CB 1587 C CG . PRO B 152 ? 1.0354 1.2358 0.8550 0.0708 0.0243 0.0646 152 PRO B CG 1588 C CD . PRO B 152 ? 0.9776 1.1965 0.8043 0.0625 0.0365 0.0588 152 PRO B CD 1589 N N . CYS B 153 ? 0.8783 0.9866 0.7828 0.0354 0.0123 0.0332 153 CYS B N 1590 C CA . CYS B 153 ? 0.8495 0.9422 0.7717 0.0347 0.0005 0.0137 153 CYS B CA 1591 C C . CYS B 153 ? 0.8836 0.9418 0.8168 0.0279 -0.0021 0.0235 153 CYS B C 1592 O O . CYS B 153 ? 0.8921 0.9348 0.8242 0.0201 0.0077 0.0418 153 CYS B O 1593 C CB . CYS B 153 ? 0.8404 0.9430 0.7787 0.0316 0.0030 -0.0021 153 CYS B CB 1594 S SG . CYS B 153 ? 0.8862 0.9860 0.8445 0.0150 0.0143 0.0084 153 CYS B SG 1595 N N . SER B 154 ? 0.8170 0.8615 0.7596 0.0301 -0.0137 0.0108 154 SER B N 1596 C CA . SER B 154 ? 0.8042 0.8192 0.7572 0.0254 -0.0167 0.0170 154 SER B CA 1597 C C . SER B 154 ? 0.8280 0.8325 0.8022 0.0173 -0.0191 0.0043 154 SER B C 1598 O O . SER B 154 ? 0.8105 0.8260 0.7897 0.0202 -0.0225 -0.0112 154 SER B O 1599 C CB . SER B 154 ? 0.8452 0.8586 0.7920 0.0349 -0.0273 0.0155 154 SER B CB 1600 O OG . SER B 154 ? 0.9357 0.9617 0.8863 0.0368 -0.0366 -0.0058 154 SER B OG 1601 N N . THR B 155 ? 0.7815 0.7639 0.7660 0.0086 -0.0164 0.0109 155 THR B N 1602 C CA . THR B 155 ? 0.7596 0.7355 0.7626 0.0015 -0.0189 0.0008 155 THR B CA 1603 C C . THR B 155 ? 0.8112 0.7601 0.8199 -0.0032 -0.0203 0.0053 155 THR B C 1604 O O . THR B 155 ? 0.8246 0.7565 0.8232 -0.0014 -0.0167 0.0181 155 THR B O 1605 C CB . THR B 155 ? 0.8531 0.8476 0.8657 -0.0079 -0.0103 -0.0008 155 THR B CB 1606 O OG1 . THR B 155 ? 0.8315 0.8332 0.8589 -0.0072 -0.0154 -0.0134 155 THR B OG1 1607 C CG2 . THR B 155 ? 0.8475 0.8307 0.8627 -0.0238 0.0005 0.0105 155 THR B CG2 1608 N N . TYR B 156 ? 0.7535 0.6985 0.7763 -0.0071 -0.0248 -0.0045 156 TYR B N 1609 C CA . TYR B 156 ? 0.7534 0.6762 0.7821 -0.0121 -0.0254 -0.0034 156 TYR B CA 1610 C C . TYR B 156 ? 0.8198 0.7436 0.8571 -0.0279 -0.0167 -0.0038 156 TYR B C 1611 O O . TYR B 156 ? 0.8008 0.7485 0.8490 -0.0322 -0.0171 -0.0124 156 TYR B O 1612 C CB . TYR B 156 ? 0.7460 0.6687 0.7835 -0.0077 -0.0347 -0.0140 156 TYR B CB 1613 C CG . TYR B 156 ? 0.7593 0.6845 0.7909 0.0027 -0.0420 -0.0169 156 TYR B CG 1614 C CD1 . TYR B 156 ? 0.7898 0.7064 0.8158 0.0083 -0.0453 -0.0119 156 TYR B CD1 1615 C CD2 . TYR B 156 ? 0.7600 0.6973 0.7916 0.0068 -0.0450 -0.0258 156 TYR B CD2 1616 C CE1 . TYR B 156 ? 0.7936 0.7206 0.8164 0.0146 -0.0522 -0.0172 156 TYR B CE1 1617 C CE2 . TYR B 156 ? 0.7704 0.7090 0.7971 0.0117 -0.0505 -0.0318 156 TYR B CE2 1618 C CZ . TYR B 156 ? 0.8638 0.8007 0.8872 0.0140 -0.0545 -0.0282 156 TYR B CZ 1619 O OH . TYR B 156 ? 0.8735 0.8196 0.8942 0.0156 -0.0601 -0.0366 156 TYR B OH 1620 N N . VAL B 157 ? 0.8110 0.7105 0.8424 -0.0363 -0.0074 0.0057 157 VAL B N 1621 C CA . VAL B 157 ? 0.8296 0.7265 0.8685 -0.0567 0.0035 0.0042 157 VAL B CA 1622 C C . VAL B 157 ? 0.8791 0.7851 0.9343 -0.0667 -0.0005 -0.0115 157 VAL B C 1623 O O . VAL B 157 ? 0.8656 0.7573 0.9219 -0.0603 -0.0074 -0.0164 157 VAL B O 1624 C CB . VAL B 157 ? 0.9200 0.7793 0.9462 -0.0646 0.0174 0.0184 157 VAL B CB 1625 C CG1 . VAL B 157 ? 0.9346 0.7997 0.9456 -0.0590 0.0245 0.0348 157 VAL B CG1 1626 C CG2 . VAL B 157 ? 0.9310 0.7522 0.9484 -0.0532 0.0151 0.0229 157 VAL B CG2 1627 N N . GLN B 158 ? 0.8443 0.7804 0.9122 -0.0817 0.0037 -0.0196 158 GLN B N 1628 C CA . GLN B 158 ? 0.8344 0.7931 0.9181 -0.0913 -0.0005 -0.0355 158 GLN B CA 1629 C C . GLN B 158 ? 0.9148 0.8446 1.0001 -0.1082 0.0049 -0.0426 158 GLN B C 1630 O O . GLN B 158 ? 0.9012 0.8505 0.9976 -0.1153 0.0003 -0.0575 158 GLN B O 1631 C CB . GLN B 158 ? 0.8452 0.8549 0.9430 -0.1012 0.0024 -0.0426 158 GLN B CB 1632 C CG . GLN B 158 ? 1.0711 1.0986 1.1643 -0.0974 0.0086 -0.0330 158 GLN B CG 1633 C CD . GLN B 158 ? 1.3173 1.3563 1.4043 -0.0716 -0.0005 -0.0305 158 GLN B CD 1634 O OE1 . GLN B 158 ? 1.2447 1.3064 1.3387 -0.0592 -0.0090 -0.0383 158 GLN B OE1 1635 N NE2 . GLN B 158 ? 1.2348 1.2587 1.3071 -0.0629 0.0022 -0.0197 158 GLN B NE2 1636 N N . SER B 159 ? 0.9107 0.7940 0.9832 -0.1130 0.0153 -0.0323 159 SER B N 1637 C CA . SER B 159 ? 0.9449 0.7883 1.0148 -0.1276 0.0237 -0.0384 159 SER B CA 1638 C C . SER B 159 ? 0.9893 0.8224 1.0598 -0.1165 0.0138 -0.0485 159 SER B C 1639 O O . SER B 159 ? 0.9646 0.7931 1.0287 -0.0937 0.0047 -0.0411 159 SER B O 1640 C CB . SER B 159 ? 1.0340 0.8251 1.0857 -0.1269 0.0376 -0.0205 159 SER B CB 1641 O OG . SER B 159 ? 1.1393 0.9159 1.1773 -0.0990 0.0305 -0.0059 159 SER B OG 1642 N N . THR B 160 ? 0.9642 0.7976 1.0428 -0.1346 0.0164 -0.0670 160 THR B N 1643 C CA . THR B 160 ? 0.9586 0.7861 1.0378 -0.1284 0.0093 -0.0800 160 THR B CA 1644 C C . THR B 160 ? 1.0329 0.8045 1.0964 -0.1142 0.0140 -0.0711 160 THR B C 1645 O O . THR B 160 ? 1.0099 0.7829 1.0710 -0.0951 0.0047 -0.0711 160 THR B O 1646 C CB . THR B 160 ? 1.0904 0.9354 1.1808 -0.1551 0.0129 -0.1040 160 THR B CB 1647 O OG1 . THR B 160 ? 1.0622 0.9714 1.1677 -0.1594 0.0047 -0.1112 160 THR B OG1 1648 C CG2 . THR B 160 ? 1.0811 0.9134 1.1688 -0.1517 0.0090 -0.1196 160 THR B CG2 1649 N N . ALA B 161 ? 1.0335 0.7578 1.0859 -0.1226 0.0296 -0.0622 161 ALA B N 1650 C CA . ALA B 161 ? 1.0671 0.7340 1.1020 -0.1072 0.0375 -0.0510 161 ALA B CA 1651 C C . ALA B 161 ? 1.0869 0.7611 1.1151 -0.0748 0.0261 -0.0362 161 ALA B C 1652 O O . ALA B 161 ? 1.0523 0.7577 1.0823 -0.0657 0.0183 -0.0254 161 ALA B O 1653 C CB . ALA B 161 ? 1.1270 0.7490 1.1489 -0.1173 0.0562 -0.0359 161 ALA B CB 1654 N N . ALA B 162 ? 1.0536 0.7017 1.0746 -0.0583 0.0258 -0.0380 162 ALA B N 1655 C CA . ALA B 162 ? 1.0287 0.6877 1.0452 -0.0293 0.0157 -0.0268 162 ALA B CA 1656 C C . ALA B 162 ? 1.1128 0.7268 1.1107 -0.0088 0.0255 -0.0090 162 ALA B C 1657 O O . ALA B 162 ? 1.1457 0.7189 1.1355 -0.0032 0.0345 -0.0137 162 ALA B O 1658 C CB . ALA B 162 ? 1.0131 0.6934 1.0384 -0.0232 0.0058 -0.0424 162 ALA B CB 1659 N N . THR B 163 ? 1.0586 0.6811 1.0482 0.0037 0.0245 0.0113 163 THR B N 1660 C CA . THR B 163 ? 1.0900 0.6825 1.0600 0.0282 0.0320 0.0336 163 THR B CA 1661 C C . THR B 163 ? 1.0853 0.7252 1.0554 0.0474 0.0181 0.0451 163 THR B C 1662 O O . THR B 163 ? 1.0332 0.7171 1.0170 0.0375 0.0063 0.0359 163 THR B O 1663 C CB . THR B 163 ? 1.2519 0.7997 1.2068 0.0166 0.0507 0.0481 163 THR B CB 1664 O OG1 . THR B 163 ? 1.2247 0.8043 1.1881 -0.0046 0.0487 0.0472 163 THR B OG1 1665 C CG2 . THR B 163 ? 1.2870 0.7759 1.2374 -0.0003 0.0678 0.0375 163 THR B CG2 1666 N N . THR B 164 ? 1.0526 0.6841 1.0065 0.0753 0.0201 0.0645 164 THR B N 1667 C CA . THR B 164 ? 1.0192 0.6976 0.9707 0.0946 0.0077 0.0746 164 THR B CA 1668 C C . THR B 164 ? 0.9956 0.7231 0.9648 0.0983 -0.0091 0.0590 164 THR B C 1669 O O . THR B 164 ? 0.9945 0.7320 0.9626 0.1202 -0.0130 0.0613 164 THR B O 1670 C CB . THR B 164 ? 1.1291 0.8240 1.0732 0.0871 0.0089 0.0861 164 THR B CB 1671 O OG1 . THR B 164 ? 1.0898 0.8002 1.0493 0.0589 0.0063 0.0703 164 THR B OG1 1672 C CG2 . THR B 164 ? 1.1757 0.8245 1.0967 0.0926 0.0269 0.1092 164 THR B CG2 1673 N N . GLU B 165 ? 0.8911 0.6488 0.8760 0.0777 -0.0177 0.0442 165 GLU B N 1674 C CA . GLU B 165 ? 0.8379 0.6369 0.8384 0.0768 -0.0312 0.0304 165 GLU B CA 1675 C C . GLU B 165 ? 0.8605 0.6515 0.8706 0.0769 -0.0314 0.0182 165 GLU B C 1676 O O . GLU B 165 ? 0.8738 0.6308 0.8828 0.0679 -0.0229 0.0129 165 GLU B O 1677 C CB . GLU B 165 ? 0.8211 0.6447 0.8315 0.0575 -0.0372 0.0207 165 GLU B CB 1678 C CG . GLU B 165 ? 0.9500 0.7952 0.9520 0.0609 -0.0400 0.0288 165 GLU B CG 1679 C CD . GLU B 165 ? 1.1721 1.0393 1.1816 0.0459 -0.0448 0.0185 165 GLU B CD 1680 O OE1 . GLU B 165 ? 1.0689 0.9384 1.0911 0.0344 -0.0474 0.0059 165 GLU B OE1 1681 O OE2 . GLU B 165 ? 1.1015 0.9839 1.1025 0.0478 -0.0453 0.0235 165 GLU B OE2 1682 N N . GLU B 166 ? 0.7781 0.6032 0.7973 0.0857 -0.0405 0.0126 166 GLU B N 1683 C CA . GLU B 166 ? 0.7628 0.5888 0.7904 0.0882 -0.0408 0.0019 166 GLU B CA 1684 C C . GLU B 166 ? 0.7587 0.6285 0.8011 0.0834 -0.0507 -0.0077 166 GLU B C 1685 O O . GLU B 166 ? 0.7380 0.6380 0.7836 0.0816 -0.0575 -0.0062 166 GLU B O 1686 C CB . GLU B 166 ? 0.8154 0.6234 0.8335 0.1135 -0.0347 0.0096 166 GLU B CB 1687 C CG . GLU B 166 ? 0.9474 0.7885 0.9616 0.1370 -0.0402 0.0217 166 GLU B CG 1688 C CD . GLU B 166 ? 1.2173 1.0445 1.2211 0.1678 -0.0340 0.0313 166 GLU B CD 1689 O OE1 . GLU B 166 ? 1.1281 0.9998 1.1382 0.1858 -0.0408 0.0321 166 GLU B OE1 1690 O OE2 . GLU B 166 ? 1.1678 0.9402 1.1569 0.1745 -0.0214 0.0380 166 GLU B OE2 1691 N N . ILE B 167 ? 0.6932 0.5654 0.7434 0.0803 -0.0501 -0.0180 167 ILE B N 1692 C CA . ILE B 167 ? 0.6583 0.5667 0.7213 0.0749 -0.0560 -0.0257 167 ILE B CA 1693 C C . ILE B 167 ? 0.7064 0.6251 0.7727 0.0892 -0.0538 -0.0293 167 ILE B C 1694 O O . ILE B 167 ? 0.7226 0.6120 0.7815 0.0984 -0.0470 -0.0307 167 ILE B O 1695 C CB . ILE B 167 ? 0.6750 0.5837 0.7440 0.0545 -0.0572 -0.0336 167 ILE B CB 1696 C CG1 . ILE B 167 ? 0.6879 0.5727 0.7541 0.0498 -0.0518 -0.0408 167 ILE B CG1 1697 C CG2 . ILE B 167 ? 0.6742 0.5825 0.7418 0.0434 -0.0600 -0.0310 167 ILE B CG2 1698 C CD1 . ILE B 167 ? 0.7552 0.6513 0.8266 0.0366 -0.0534 -0.0479 167 ILE B CD1 1699 N N . GLU B 168 ? 0.6416 0.6018 0.7192 0.0897 -0.0582 -0.0322 168 GLU B N 1700 C CA . GLU B 168 ? 0.6419 0.6223 0.7247 0.1029 -0.0559 -0.0362 168 GLU B CA 1701 C C . GLU B 168 ? 0.6788 0.6566 0.7654 0.0906 -0.0528 -0.0456 168 GLU B C 1702 O O . GLU B 168 ? 0.6547 0.6378 0.7455 0.0718 -0.0549 -0.0476 168 GLU B O 1703 C CB . GLU B 168 ? 0.6471 0.6813 0.7419 0.1074 -0.0613 -0.0354 168 GLU B CB 1704 C CG . GLU B 168 ? 0.7863 0.8349 0.8761 0.1303 -0.0639 -0.0263 168 GLU B CG 1705 C CD . GLU B 168 ? 1.0116 1.1244 1.1145 0.1370 -0.0697 -0.0277 168 GLU B CD 1706 O OE1 . GLU B 168 ? 0.9112 1.0573 1.0289 0.1203 -0.0706 -0.0365 168 GLU B OE1 1707 O OE2 . GLU B 168 ? 0.9432 1.0755 1.0412 0.1591 -0.0727 -0.0195 168 GLU B OE2 1708 N N . VAL B 169 ? 0.6511 0.6195 0.7339 0.1032 -0.0472 -0.0512 169 VAL B N 1709 C CA . VAL B 169 ? 0.6439 0.6144 0.7275 0.0953 -0.0439 -0.0611 169 VAL B CA 1710 C C . VAL B 169 ? 0.7002 0.6998 0.7883 0.1112 -0.0403 -0.0657 169 VAL B C 1711 O O . VAL B 169 ? 0.7117 0.7157 0.7989 0.1328 -0.0387 -0.0628 169 VAL B O 1712 C CB . VAL B 169 ? 0.7084 0.6376 0.7810 0.0892 -0.0397 -0.0690 169 VAL B CB 1713 C CG1 . VAL B 169 ? 0.6921 0.6073 0.7637 0.0704 -0.0433 -0.0659 169 VAL B CG1 1714 C CG2 . VAL B 169 ? 0.7424 0.6339 0.8041 0.1059 -0.0331 -0.0706 169 VAL B CG2 1715 N N . HIS B 170 ? 1.2214 1.0549 0.7133 -0.0581 0.1009 0.1380 170 HIS B N 1716 C CA . HIS B 170 ? 1.2081 1.0181 0.7082 -0.0373 0.0857 0.1417 170 HIS B CA 1717 C C . HIS B 170 ? 1.2121 1.0428 0.7595 -0.0434 0.0841 0.1285 170 HIS B C 1718 O O . HIS B 170 ? 1.1761 1.0441 0.7528 -0.0590 0.0915 0.1148 170 HIS B O 1719 C CB . HIS B 170 ? 1.2006 1.0249 0.7042 -0.0065 0.0672 0.1403 170 HIS B CB 1720 C CG . HIS B 170 ? 1.1887 1.0719 0.7337 -0.0009 0.0615 0.1231 170 HIS B CG 1721 N ND1 . HIS B 170 ? 1.1568 1.0723 0.7505 -0.0053 0.0591 0.1084 170 HIS B ND1 1722 C CD2 . HIS B 170 ? 1.2059 1.1170 0.7483 0.0109 0.0563 0.1186 170 HIS B CD2 1723 C CE1 . HIS B 170 ? 1.1165 1.0750 0.7348 0.0025 0.0532 0.0960 170 HIS B CE1 1724 N NE2 . HIS B 170 ? 1.1467 1.1064 0.7377 0.0121 0.0514 0.1006 170 HIS B NE2 1725 N N . MET B 171 ? 1.1665 0.9747 0.7206 -0.0298 0.0736 0.1313 171 MET B N 1726 C CA . MET B 171 ? 1.1241 0.9489 0.7188 -0.0325 0.0707 0.1202 171 MET B CA 1727 C C . MET B 171 ? 1.1162 0.9928 0.7531 -0.0237 0.0623 0.1052 171 MET B C 1728 O O . MET B 171 ? 1.0997 0.9902 0.7370 -0.0069 0.0529 0.1046 171 MET B O 1729 C CB . MET B 171 ? 1.1635 0.9550 0.7529 -0.0178 0.0606 0.1262 171 MET B CB 1730 C CG . MET B 171 ? 1.2664 1.0045 0.8203 -0.0286 0.0688 0.1383 171 MET B CG 1731 S SD . MET B 171 ? 1.3347 1.0352 0.8817 -0.0075 0.0542 0.1429 171 MET B SD 1732 C CE . MET B 171 ? 1.3700 1.0023 0.8662 -0.0219 0.0654 0.1587 171 MET B CE 1733 N N . PRO B 172 ? 1.0413 0.9459 0.7124 -0.0345 0.0654 0.0923 172 PRO B N 1734 C CA . PRO B 172 ? 0.9944 0.9414 0.7012 -0.0258 0.0570 0.0790 172 PRO B CA 1735 C C . PRO B 172 ? 1.0245 0.9715 0.7483 -0.0067 0.0434 0.0785 172 PRO B C 1736 O O . PRO B 172 ? 1.0285 0.9497 0.7458 -0.0028 0.0410 0.0846 172 PRO B O 1737 C CB . PRO B 172 ? 0.9965 0.9656 0.7282 -0.0410 0.0633 0.0660 172 PRO B CB 1738 C CG . PRO B 172 ? 1.0881 1.0333 0.7980 -0.0610 0.0777 0.0706 172 PRO B CG 1739 C CD . PRO B 172 ? 1.0658 0.9646 0.7439 -0.0537 0.0758 0.0877 172 PRO B CD 1740 N N . PRO B 173 ? 0.9555 0.9317 0.7022 0.0040 0.0350 0.0699 173 PRO B N 1741 C CA . PRO B 173 ? 0.9338 0.9108 0.6971 0.0185 0.0246 0.0682 173 PRO B CA 1742 C C . PRO B 173 ? 0.9677 0.9466 0.7524 0.0142 0.0241 0.0638 173 PRO B C 1743 O O . PRO B 173 ? 0.9608 0.9437 0.7501 0.0019 0.0304 0.0602 173 PRO B O 1744 C CB . PRO B 173 ? 0.9347 0.9415 0.7155 0.0267 0.0186 0.0590 173 PRO B CB 1745 C CG . PRO B 173 ? 0.9852 1.0135 0.7731 0.0152 0.0243 0.0516 173 PRO B CG 1746 C CD . PRO B 173 ? 0.9613 0.9711 0.7205 0.0026 0.0351 0.0600 173 PRO B CD 1747 N N . ASP B 174 ? 0.9142 0.8926 0.7119 0.0242 0.0169 0.0627 174 ASP B N 1748 C CA . ASP B 174 ? 0.8975 0.8773 0.7123 0.0219 0.0159 0.0595 174 ASP B CA 1749 C C . ASP B 174 ? 0.9324 0.9350 0.7673 0.0191 0.0145 0.0502 174 ASP B C 1750 O O . ASP B 174 ? 0.9160 0.9331 0.7609 0.0248 0.0101 0.0454 174 ASP B O 1751 C CB . ASP B 174 ? 0.9140 0.8891 0.7349 0.0318 0.0100 0.0602 174 ASP B CB 1752 C CG . ASP B 174 ? 1.0665 1.0223 0.8691 0.0394 0.0080 0.0660 174 ASP B CG 1753 O OD1 . ASP B 174 ? 1.0959 1.0315 0.8782 0.0353 0.0118 0.0725 174 ASP B OD1 1754 O OD2 . ASP B 174 ? 1.1410 1.1013 0.9492 0.0494 0.0024 0.0629 174 ASP B OD2 1755 N N . THR B 175 ? 0.8929 0.8991 0.7334 0.0113 0.0175 0.0460 175 THR B N 1756 C CA . THR B 175 ? 0.8800 0.9065 0.7374 0.0111 0.0144 0.0355 175 THR B CA 1757 C C . THR B 175 ? 0.9265 0.9491 0.7949 0.0180 0.0081 0.0349 175 THR B C 1758 O O . THR B 175 ? 0.9212 0.9350 0.7879 0.0166 0.0092 0.0368 175 THR B O 1759 C CB . THR B 175 ? 0.9853 1.0222 0.8430 0.0003 0.0204 0.0278 175 THR B CB 1760 O OG1 . THR B 175 ? 0.9960 1.0294 0.8377 -0.0090 0.0289 0.0313 175 THR B OG1 1761 C CG2 . THR B 175 ? 0.9562 1.0187 0.8305 0.0024 0.0156 0.0135 175 THR B CG2 1762 N N . PRO B 176 ? 0.8834 0.9112 0.7617 0.0249 0.0022 0.0323 176 PRO B N 1763 C CA . PRO B 176 ? 0.8816 0.9005 0.7653 0.0294 -0.0021 0.0335 176 PRO B CA 1764 C C . PRO B 176 ? 0.9448 0.9666 0.8315 0.0307 -0.0055 0.0275 176 PRO B C 1765 O O . PRO B 176 ? 0.9377 0.9749 0.8302 0.0309 -0.0078 0.0178 176 PRO B O 1766 C CB . PRO B 176 ? 0.8994 0.9216 0.7921 0.0340 -0.0063 0.0305 176 PRO B CB 1767 C CG . PRO B 176 ? 0.9525 0.9868 0.8445 0.0338 -0.0047 0.0285 176 PRO B CG 1768 C CD . PRO B 176 ? 0.9002 0.9409 0.7842 0.0280 -0.0004 0.0276 176 PRO B CD 1769 N N . ASP B 177 ? 0.9166 0.9264 0.7989 0.0324 -0.0062 0.0318 177 ASP B N 1770 C CA . ASP B 177 ? 0.9246 0.9360 0.8066 0.0366 -0.0107 0.0262 177 ASP B CA 1771 C C . ASP B 177 ? 0.9978 0.9916 0.8723 0.0412 -0.0130 0.0334 177 ASP B C 1772 O O . ASP B 177 ? 0.9923 0.9790 0.8613 0.0381 -0.0084 0.0400 177 ASP B O 1773 C CB . ASP B 177 ? 0.9471 0.9682 0.8285 0.0310 -0.0062 0.0212 177 ASP B CB 1774 C CG . ASP B 177 ? 1.0759 1.1067 0.9599 0.0363 -0.0114 0.0105 177 ASP B CG 1775 O OD1 . ASP B 177 ? 1.0847 1.1185 0.9711 0.0456 -0.0200 0.0042 177 ASP B OD1 1776 O OD2 . ASP B 177 ? 1.1540 1.1895 1.0376 0.0322 -0.0076 0.0069 177 ASP B OD2 1777 N N . ARG B 178 ? 0.9774 0.9625 0.8498 0.0484 -0.0201 0.0320 178 ARG B N 1778 C CA . ARG B 178 ? 0.9970 0.9610 0.8572 0.0518 -0.0215 0.0401 178 ARG B CA 1779 C C . ARG B 178 ? 1.0674 1.0300 0.9174 0.0580 -0.0249 0.0388 178 ARG B C 1780 O O . ARG B 178 ? 1.0766 1.0231 0.9131 0.0593 -0.0239 0.0470 178 ARG B O 1781 C CB . ARG B 178 ? 1.0193 0.9670 0.8770 0.0563 -0.0271 0.0408 178 ARG B CB 1782 C CG . ARG B 178 ? 1.1640 1.1095 1.0300 0.0487 -0.0217 0.0436 178 ARG B CG 1783 C CD . ARG B 178 ? 1.3334 1.2539 1.1926 0.0488 -0.0232 0.0478 178 ARG B CD 1784 N NE . ARG B 178 ? 1.4519 1.3741 1.3213 0.0400 -0.0165 0.0481 178 ARG B NE 1785 C CZ . ARG B 178 ? 1.6413 1.5592 1.5081 0.0311 -0.0076 0.0538 178 ARG B CZ 1786 N NH1 . ARG B 178 ? 1.4888 1.3993 1.3419 0.0294 -0.0040 0.0612 178 ARG B NH1 1787 N NH2 . ARG B 178 ? 1.4729 1.3976 1.3520 0.0243 -0.0025 0.0500 178 ARG B NH2 1788 N N . THR B 179 ? 1.0255 1.0073 0.8821 0.0611 -0.0280 0.0272 179 THR B N 1789 C CA . THR B 179 ? 1.0338 1.0210 0.8844 0.0681 -0.0320 0.0216 179 THR B CA 1790 C C . THR B 179 ? 1.0868 1.0752 0.9352 0.0614 -0.0241 0.0268 179 THR B C 1791 O O . THR B 179 ? 1.0906 1.0806 0.9318 0.0675 -0.0269 0.0243 179 THR B O 1792 C CB . THR B 179 ? 1.1275 1.1397 0.9893 0.0727 -0.0374 0.0033 179 THR B CB 1793 O OG1 . THR B 179 ? 1.1022 1.1321 0.9772 0.0597 -0.0284 -0.0013 179 THR B OG1 1794 C CG2 . THR B 179 ? 1.1177 1.1298 0.9810 0.0832 -0.0480 -0.0045 179 THR B CG2 1795 N N . LEU B 180 ? 1.0378 1.0255 0.8916 0.0506 -0.0156 0.0329 180 LEU B N 1796 C CA . LEU B 180 ? 1.0351 1.0222 0.8877 0.0450 -0.0092 0.0370 180 LEU B CA 1797 C C . LEU B 180 ? 1.1038 1.0777 0.9444 0.0476 -0.0087 0.0462 180 LEU B C 1798 O O . LEU B 180 ? 1.0977 1.0743 0.9358 0.0467 -0.0060 0.0466 180 LEU B O 1799 C CB . LEU B 180 ? 1.0265 1.0128 0.8847 0.0362 -0.0027 0.0408 180 LEU B CB 1800 C CG . LEU B 180 ? 1.0802 1.0765 0.9456 0.0302 0.0001 0.0343 180 LEU B CG 1801 C CD1 . LEU B 180 ? 1.0793 1.0700 0.9442 0.0259 0.0037 0.0404 180 LEU B CD1 1802 C CD2 . LEU B 180 ? 1.1134 1.1146 0.9805 0.0250 0.0043 0.0285 180 LEU B CD2 1803 N N . MET B 181 ? 1.0794 1.0391 0.9124 0.0495 -0.0105 0.0527 181 MET B N 1804 C CA . MET B 181 ? 1.0959 1.0408 0.9150 0.0486 -0.0077 0.0620 181 MET B CA 1805 C C . MET B 181 ? 1.1783 1.1096 0.9786 0.0583 -0.0141 0.0644 181 MET B C 1806 O O . MET B 181 ? 1.1806 1.1062 0.9783 0.0663 -0.0221 0.0607 181 MET B O 1807 C CB . MET B 181 ? 1.1268 1.0619 0.9483 0.0412 -0.0030 0.0676 181 MET B CB 1808 C CG . MET B 181 ? 1.1537 1.1002 0.9919 0.0371 -0.0015 0.0632 181 MET B CG 1809 S SD . MET B 181 ? 1.2052 1.1490 1.0495 0.0289 0.0050 0.0658 181 MET B SD 1810 C CE . MET B 181 ? 1.1539 1.1097 1.0011 0.0258 0.0102 0.0649 181 MET B CE 1811 N N . SER B 182 ? 1.1567 1.0826 0.9420 0.0588 -0.0113 0.0700 182 SER B N 1812 C CA . SER B 182 ? 1.1878 1.0975 0.9481 0.0688 -0.0167 0.0746 182 SER B CA 1813 C C . SER B 182 ? 1.2638 1.1601 1.0059 0.0612 -0.0081 0.0860 182 SER B C 1814 O O . SER B 182 ? 1.2428 1.1502 0.9963 0.0498 0.0010 0.0864 182 SER B O 1815 C CB . SER B 182 ? 1.2299 1.1571 0.9903 0.0804 -0.0238 0.0645 182 SER B CB 1816 O OG . SER B 182 ? 1.3239 1.2702 1.0942 0.0748 -0.0178 0.0609 182 SER B OG 1817 N N . GLN B 183 ? 1.2633 1.1357 0.9756 0.0678 -0.0109 0.0946 183 GLN B N 1818 C CA . GLN B 183 ? 1.2892 1.1471 0.9795 0.0587 -0.0011 0.1060 183 GLN B CA 1819 C C . GLN B 183 ? 1.3573 1.2244 1.0304 0.0661 -0.0020 0.1062 183 GLN B C 1820 O O . GLN B 183 ? 1.3738 1.2322 1.0277 0.0823 -0.0123 0.1060 183 GLN B O 1821 C CB . GLN B 183 ? 1.3482 1.1653 1.0116 0.0564 -0.0001 0.1185 183 GLN B CB 1822 C CG . GLN B 183 ? 1.5336 1.3414 1.2141 0.0476 0.0019 0.1174 183 GLN B CG 1823 C CD . GLN B 183 ? 1.7796 1.5893 1.4682 0.0269 0.0172 0.1204 183 GLN B CD 1824 O OE1 . GLN B 183 ? 1.6941 1.5315 1.4115 0.0197 0.0216 0.1118 183 GLN B OE1 1825 N NE2 . GLN B 183 ? 1.7168 1.4963 1.3790 0.0168 0.0258 0.1316 183 GLN B NE2 1826 N N . GLN B 184 ? 1.3056 1.1926 0.9861 0.0559 0.0077 0.1049 184 GLN B N 1827 C CA . GLN B 184 ? 1.3172 1.2164 0.9826 0.0620 0.0078 0.1040 184 GLN B CA 1828 C C . GLN B 184 ? 1.3856 1.2875 1.0387 0.0478 0.0214 0.1102 184 GLN B C 1829 O O . GLN B 184 ? 1.3538 1.2823 1.0295 0.0393 0.0276 0.1020 184 GLN B O 1830 C CB . GLN B 184 ? 1.3059 1.2361 0.9923 0.0729 0.0000 0.0889 184 GLN B CB 1831 C CG . GLN B 184 ? 1.4638 1.4196 1.1845 0.0640 0.0043 0.0786 184 GLN B CG 1832 C CD . GLN B 184 ? 1.6891 1.6691 1.4273 0.0729 -0.0024 0.0641 184 GLN B CD 1833 O OE1 . GLN B 184 ? 1.6331 1.6145 1.3745 0.0829 -0.0110 0.0575 184 GLN B OE1 1834 N NE2 . GLN B 184 ? 1.5700 1.5704 1.3218 0.0688 0.0016 0.0568 184 GLN B NE2 1835 N N . SER B 185 ? 1.3910 1.2647 1.0065 0.0451 0.0262 0.1240 185 SER B N 1836 C CA . SER B 185 ? 1.4307 1.2657 1.0138 0.0567 0.0179 0.1348 185 SER B CA 1837 C C . SER B 185 ? 1.4950 1.2996 1.0773 0.0442 0.0233 0.1427 185 SER B C 1838 O O . SER B 185 ? 1.5033 1.2829 1.0786 0.0544 0.0132 0.1452 185 SER B O 1839 C CB . SER B 185 ? 1.5266 1.3424 1.0639 0.0608 0.0205 0.1468 185 SER B CB 1840 O OG . SER B 185 ? 1.6279 1.4741 1.1667 0.0742 0.0144 0.1375 185 SER B OG 1841 N N . GLY B 186 ? 1.4483 1.2588 1.0398 0.0227 0.0387 0.1440 186 GLY B N 1842 C CA . GLY B 186 ? 1.4545 1.2447 1.0519 0.0070 0.0467 0.1478 186 GLY B CA 1843 C C . GLY B 186 ? 1.4581 1.2841 1.0975 -0.0049 0.0532 0.1345 186 GLY B C 1844 O O . GLY B 186 ? 1.4570 1.2797 1.1034 -0.0228 0.0649 0.1341 186 GLY B O 1845 N N . ASN B 187 ? 1.3736 1.2334 1.0398 0.0054 0.0453 0.1227 187 ASN B N 1846 C CA . ASN B 187 ? 1.3290 1.2212 1.0318 -0.0004 0.0479 0.1098 187 ASN B CA 1847 C C . ASN B 187 ? 1.3453 1.2433 1.0705 0.0112 0.0360 0.1032 187 ASN B C 1848 O O . ASN B 187 ? 1.3512 1.2307 1.0658 0.0218 0.0269 0.1071 187 ASN B O 1849 C CB . ASN B 187 ? 1.3282 1.2523 1.0386 -0.0003 0.0508 0.1018 187 ASN B CB 1850 C CG . ASN B 187 ? 1.6738 1.5968 1.3601 -0.0109 0.0625 0.1071 187 ASN B CG 1851 O OD1 . ASN B 187 ? 1.6217 1.5424 1.3059 -0.0282 0.0752 0.1080 187 ASN B OD1 1852 N ND2 . ASN B 187 ? 1.5893 1.5162 1.2571 -0.0014 0.0589 0.1095 187 ASN B ND2 1853 N N . VAL B 188 ? 1.2653 1.1881 1.0193 0.0096 0.0358 0.0928 188 VAL B N 1854 C CA . VAL B 188 ? 1.2373 1.1654 1.0099 0.0178 0.0268 0.0872 188 VAL B CA 1855 C C . VAL B 188 ? 1.2627 1.2110 1.0463 0.0259 0.0216 0.0794 188 VAL B C 1856 O O . VAL B 188 ? 1.2453 1.2111 1.0387 0.0229 0.0251 0.0736 188 VAL B O 1857 C CB . VAL B 188 ? 1.2709 1.2038 1.0634 0.0109 0.0295 0.0827 188 VAL B CB 1858 C CG1 . VAL B 188 ? 1.2462 1.1856 1.0545 0.0186 0.0215 0.0776 188 VAL B CG1 1859 C CG2 . VAL B 188 ? 1.2904 1.2016 1.0741 0.0029 0.0340 0.0886 188 VAL B CG2 1860 N N . LYS B 189 ? 1.2146 1.1609 0.9974 0.0361 0.0131 0.0774 189 LYS B N 1861 C CA . LYS B 189 ? 1.1948 1.1578 0.9887 0.0421 0.0088 0.0686 189 LYS B CA 1862 C C . LYS B 189 ? 1.2241 1.1898 1.0342 0.0427 0.0051 0.0635 189 LYS B C 1863 O O . LYS B 189 ? 1.2223 1.1807 1.0302 0.0467 0.0004 0.0638 189 LYS B O 1864 C CB . LYS B 189 ? 1.2406 1.2045 1.0204 0.0525 0.0031 0.0671 189 LYS B CB 1865 C CG . LYS B 189 ? 1.4054 1.3871 1.1990 0.0582 -0.0017 0.0549 189 LYS B CG 1866 C CD . LYS B 189 ? 1.5223 1.5197 1.3251 0.0553 0.0019 0.0489 189 LYS B CD 1867 C CE . LYS B 189 ? 1.6463 1.6567 1.4651 0.0574 -0.0011 0.0364 189 LYS B CE 1868 N NZ . LYS B 189 ? 1.7682 1.7889 1.5818 0.0675 -0.0070 0.0284 189 LYS B NZ 1869 N N . ILE B 190 ? 1.1634 1.1388 0.9878 0.0392 0.0071 0.0584 190 ILE B N 1870 C CA . ILE B 190 ? 1.1485 1.1252 0.9845 0.0380 0.0056 0.0545 190 ILE B CA 1871 C C . ILE B 190 ? 1.1925 1.1777 1.0344 0.0394 0.0042 0.0462 190 ILE B C 1872 O O . ILE B 190 ? 1.1855 1.1744 1.0308 0.0383 0.0060 0.0431 190 ILE B O 1873 C CB . ILE B 190 ? 1.1801 1.1554 1.0232 0.0333 0.0088 0.0561 190 ILE B CB 1874 C CG1 . ILE B 190 ? 1.1901 1.1604 1.0304 0.0303 0.0112 0.0611 190 ILE B CG1 1875 C CG2 . ILE B 190 ? 1.1824 1.1565 1.0320 0.0320 0.0077 0.0538 190 ILE B CG2 1876 C CD1 . ILE B 190 ? 1.2823 1.2589 1.1270 0.0269 0.0153 0.0594 190 ILE B CD1 1877 N N . THR B 191 ? 1.1479 1.1375 0.9922 0.0418 0.0008 0.0404 191 THR B N 1878 C CA . THR B 191 ? 1.1425 1.1427 0.9948 0.0410 0.0007 0.0295 191 THR B CA 1879 C C . THR B 191 ? 1.1849 1.1825 1.0450 0.0325 0.0046 0.0273 191 THR B C 1880 O O . THR B 191 ? 1.1761 1.1752 1.0380 0.0311 0.0039 0.0267 191 THR B O 1881 C CB . THR B 191 ? 1.2514 1.2627 1.1017 0.0492 -0.0051 0.0209 191 THR B CB 1882 O OG1 . THR B 191 ? 1.2583 1.2652 1.0941 0.0574 -0.0085 0.0269 191 THR B OG1 1883 C CG2 . THR B 191 ? 1.2317 1.2589 1.0926 0.0479 -0.0046 0.0062 191 THR B CG2 1884 N N . VAL B 192 ? 1.1431 1.1351 1.0057 0.0272 0.0086 0.0264 192 VAL B N 1885 C CA . VAL B 192 ? 1.1446 1.1268 1.0081 0.0187 0.0132 0.0268 192 VAL B CA 1886 C C . VAL B 192 ? 1.1944 1.1854 1.0643 0.0110 0.0167 0.0165 192 VAL B C 1887 O O . VAL B 192 ? 1.1921 1.1791 1.0601 0.0042 0.0204 0.0183 192 VAL B O 1888 C CB . VAL B 192 ? 1.2026 1.1703 1.0628 0.0178 0.0148 0.0295 192 VAL B CB 1889 C CG1 . VAL B 192 ? 1.2127 1.1724 1.0749 0.0094 0.0194 0.0225 192 VAL B CG1 1890 C CG2 . VAL B 192 ? 1.2030 1.1577 1.0558 0.0195 0.0143 0.0390 192 VAL B CG2 1891 N N . ASN B 193 ? 1.1491 1.1554 1.0269 0.0120 0.0157 0.0040 193 ASN B N 1892 C CA . ASN B 193 ? 1.1485 1.1704 1.0362 0.0043 0.0193 -0.0111 193 ASN B CA 1893 C C . ASN B 193 ? 1.2081 1.2171 1.0954 -0.0119 0.0295 -0.0126 193 ASN B C 1894 O O . ASN B 193 ? 1.2057 1.2234 1.0966 -0.0220 0.0350 -0.0198 193 ASN B O 1895 C CB . ASN B 193 ? 1.1536 1.1925 1.0445 0.0089 0.0150 -0.0165 193 ASN B CB 1896 C CG . ASN B 193 ? 1.4496 1.4991 1.3386 0.0246 0.0050 -0.0191 193 ASN B CG 1897 O OD1 . ASN B 193 ? 1.3785 1.4418 1.2719 0.0303 0.0019 -0.0303 193 ASN B OD1 1898 N ND2 . ASN B 193 ? 1.3483 1.3906 1.2294 0.0323 -0.0004 -0.0094 193 ASN B ND2 1899 N N . GLY B 194 ? 1.1736 1.1611 1.0549 -0.0142 0.0317 -0.0063 194 GLY B N 1900 C CA . GLY B 194 ? 1.1921 1.1568 1.0667 -0.0283 0.0406 -0.0049 194 GLY B CA 1901 C C . GLY B 194 ? 1.2482 1.1952 1.1079 -0.0332 0.0442 0.0078 194 GLY B C 1902 O O . GLY B 194 ? 1.2629 1.1969 1.1154 -0.0478 0.0535 0.0072 194 GLY B O 1903 N N . GLN B 195 ? 1.1909 1.1375 1.0451 -0.0216 0.0374 0.0188 195 GLN B N 1904 C CA . GLN B 195 ? 1.1939 1.1284 1.0351 -0.0224 0.0386 0.0299 195 GLN B CA 1905 C C . GLN B 195 ? 1.2422 1.1605 1.0739 -0.0104 0.0321 0.0413 195 GLN B C 1906 O O . GLN B 195 ? 1.2265 1.1486 1.0640 -0.0018 0.0267 0.0400 195 GLN B O 1907 C CB . GLN B 195 ? 1.1926 1.1512 1.0415 -0.0200 0.0363 0.0270 195 GLN B CB 1908 C CG . GLN B 195 ? 1.3784 1.3581 1.2373 -0.0309 0.0420 0.0129 195 GLN B CG 1909 C CD . GLN B 195 ? 1.5920 1.5963 1.4603 -0.0237 0.0361 0.0075 195 GLN B CD 1910 O OE1 . GLN B 195 ? 1.5199 1.5345 1.3951 -0.0117 0.0276 0.0050 195 GLN B OE1 1911 N NE2 . GLN B 195 ? 1.4880 1.5010 1.3549 -0.0309 0.0403 0.0050 195 GLN B NE2 1912 N N . THR B 196 ? 1.2110 1.1144 1.0282 -0.0093 0.0325 0.0506 196 THR B N 1913 C CA . THR B 196 ? 1.2100 1.1029 1.0194 0.0034 0.0256 0.0580 196 THR B CA 1914 C C . THR B 196 ? 1.2368 1.1509 1.0548 0.0096 0.0217 0.0588 196 THR B C 1915 O O . THR B 196 ? 1.2315 1.1501 1.0461 0.0065 0.0237 0.0605 196 THR B O 1916 C CB . THR B 196 ? 1.3387 1.2005 1.1248 0.0035 0.0268 0.0662 196 THR B CB 1917 O OG1 . THR B 196 ? 1.3544 1.1938 1.1328 -0.0057 0.0320 0.0647 196 THR B OG1 1918 C CG2 . THR B 196 ? 1.3241 1.1769 1.1029 0.0194 0.0177 0.0699 196 THR B CG2 1919 N N . VAL B 197 ? 1.1761 1.1031 1.0050 0.0169 0.0168 0.0565 197 VAL B N 1920 C CA . VAL B 197 ? 1.1568 1.1000 0.9941 0.0212 0.0139 0.0567 197 VAL B CA 1921 C C . VAL B 197 ? 1.2078 1.1503 1.0439 0.0296 0.0099 0.0589 197 VAL B C 1922 O O . VAL B 197 ? 1.2040 1.1437 1.0399 0.0342 0.0078 0.0573 197 VAL B O 1923 C CB . VAL B 197 ? 1.1926 1.1495 1.0402 0.0212 0.0129 0.0523 197 VAL B CB 1924 C CG1 . VAL B 197 ? 1.1796 1.1455 1.0323 0.0249 0.0101 0.0536 197 VAL B CG1 1925 C CG2 . VAL B 197 ? 1.1908 1.1544 1.0419 0.0148 0.0155 0.0461 197 VAL B CG2 1926 N N . ARG B 198 ? 1.1648 1.1136 1.0019 0.0319 0.0087 0.0599 198 ARG B N 1927 C CA . ARG B 198 ? 1.1625 1.1169 1.0023 0.0393 0.0053 0.0583 198 ARG B CA 1928 C C . ARG B 198 ? 1.2041 1.1724 1.0568 0.0374 0.0058 0.0556 198 ARG B C 1929 O O . ARG B 198 ? 1.1925 1.1657 1.0499 0.0343 0.0063 0.0557 198 ARG B O 1930 C CB . ARG B 198 ? 1.1727 1.1257 1.0050 0.0436 0.0035 0.0595 198 ARG B CB 1931 C CG . ARG B 198 ? 1.3010 1.2584 1.1331 0.0542 -0.0015 0.0551 198 ARG B CG 1932 C CD . ARG B 198 ? 1.4304 1.3890 1.2542 0.0608 -0.0044 0.0552 198 ARG B CD 1933 N NE . ARG B 198 ? 1.5620 1.4982 1.3626 0.0620 -0.0042 0.0627 198 ARG B NE 1934 C CZ . ARG B 198 ? 1.7637 1.6815 1.5465 0.0722 -0.0091 0.0644 198 ARG B CZ 1935 N NH1 . ARG B 198 ? 1.6021 1.5269 1.3910 0.0832 -0.0155 0.0566 198 ARG B NH1 1936 N NH2 . ARG B 198 ? 1.6230 1.5144 1.3808 0.0712 -0.0076 0.0730 198 ARG B NH2 1937 N N . TYR B 199 ? 1.1642 1.1376 1.0214 0.0388 0.0059 0.0527 199 TYR B N 1938 C CA . TYR B 199 ? 1.1585 1.1398 1.0234 0.0347 0.0083 0.0515 199 TYR B CA 1939 C C . TYR B 199 ? 1.2104 1.2033 1.0829 0.0356 0.0093 0.0450 199 TYR B C 1940 O O . TYR B 199 ? 1.2077 1.2057 1.0802 0.0411 0.0072 0.0396 199 TYR B O 1941 C CB . TYR B 199 ? 1.1766 1.1551 1.0384 0.0315 0.0103 0.0537 199 TYR B CB 1942 C CG . TYR B 199 ? 1.2037 1.1863 1.0648 0.0335 0.0107 0.0503 199 TYR B CG 1943 C CD1 . TYR B 199 ? 1.2334 1.2100 1.0904 0.0372 0.0083 0.0493 199 TYR B CD1 1944 C CD2 . TYR B 199 ? 1.2151 1.2076 1.0794 0.0306 0.0141 0.0469 199 TYR B CD2 1945 C CE1 . TYR B 199 ? 1.2478 1.2289 1.1054 0.0404 0.0073 0.0442 199 TYR B CE1 1946 C CE2 . TYR B 199 ? 1.2291 1.2300 1.0942 0.0328 0.0142 0.0412 199 TYR B CE2 1947 C CZ . TYR B 199 ? 1.3273 1.3229 1.1898 0.0388 0.0099 0.0396 199 TYR B CZ 1948 O OH . TYR B 199 ? 1.3439 1.3486 1.2085 0.0424 0.0087 0.0322 199 TYR B OH 1949 N N . LYS B 200 ? 1.1687 1.1656 1.0480 0.0301 0.0123 0.0437 200 LYS B N 1950 C CA . LYS B 200 ? 1.1679 1.1782 1.0573 0.0272 0.0155 0.0352 200 LYS B CA 1951 C C . LYS B 200 ? 1.2240 1.2288 1.1136 0.0163 0.0221 0.0378 200 LYS B C 1952 O O . LYS B 200 ? 1.2217 1.2140 1.1084 0.0141 0.0215 0.0433 200 LYS B O 1953 C CB . LYS B 200 ? 1.1983 1.2176 1.0960 0.0316 0.0125 0.0287 200 LYS B CB 1954 C CG . LYS B 200 ? 1.4051 1.4305 1.2995 0.0434 0.0063 0.0241 200 LYS B CG 1955 C CD . LYS B 200 ? 1.5423 1.5770 1.4420 0.0492 0.0027 0.0184 200 LYS B CD 1956 C CE . LYS B 200 ? 1.6983 1.7339 1.5880 0.0632 -0.0045 0.0157 200 LYS B CE 1957 N NZ . LYS B 200 ? 1.8241 1.8386 1.6954 0.0653 -0.0064 0.0280 200 LYS B NZ 1958 N N . CYS B 201 ? 1.1870 1.1997 1.0777 0.0098 0.0282 0.0335 201 CYS B N 1959 C CA . CYS B 201 ? 1.1994 1.2032 1.0848 -0.0024 0.0364 0.0373 201 CYS B CA 1960 C C . CYS B 201 ? 1.2679 1.2869 1.1656 -0.0127 0.0445 0.0256 201 CYS B C 1961 O O . CYS B 201 ? 1.2543 1.2970 1.1635 -0.0096 0.0442 0.0128 201 CYS B O 1962 C CB . CYS B 201 ? 1.2074 1.2066 1.0794 -0.0040 0.0389 0.0434 201 CYS B CB 1963 S SG . CYS B 201 ? 1.2545 1.2348 1.1121 0.0046 0.0316 0.0554 201 CYS B SG 1964 N N . ASN B 202 ? 1.2528 1.2573 1.1474 -0.0250 0.0518 0.0288 202 ASN B N 1965 C CA . ASN B 202 ? 1.2655 1.2819 1.1718 -0.0393 0.0623 0.0170 202 ASN B CA 1966 C C . ASN B 202 ? 1.3437 1.3635 1.2403 -0.0525 0.0738 0.0172 202 ASN B C 1967 O O . ASN B 202 ? 1.3610 1.3685 1.2511 -0.0697 0.0857 0.0187 202 ASN B O 1968 C CB . ASN B 202 ? 1.2920 1.2874 1.1991 -0.0473 0.0651 0.0197 202 ASN B CB 1969 C CG . ASN B 202 ? 1.5960 1.6079 1.5223 -0.0605 0.0743 0.0032 202 ASN B CG 1970 O OD1 . ASN B 202 ? 1.5074 1.5498 1.4545 -0.0544 0.0710 -0.0132 202 ASN B OD1 1971 N ND2 . ASN B 202 ? 1.5237 1.5142 1.4422 -0.0787 0.0859 0.0065 202 ASN B ND2 1972 N N . CYS B 203 ? 1.3023 1.3377 1.1966 -0.0447 0.0705 0.0154 203 CYS B N 1973 C CA . CYS B 203 ? 1.3178 1.3630 1.2037 -0.0539 0.0795 0.0139 203 CYS B CA 1974 C C . CYS B 203 ? 1.3624 1.4432 1.2636 -0.0450 0.0752 -0.0028 203 CYS B C 1975 O O . CYS B 203 ? 1.3393 1.4276 1.2504 -0.0291 0.0636 -0.0077 203 CYS B O 1976 C CB . CYS B 203 ? 1.3336 1.3540 1.1945 -0.0507 0.0775 0.0319 203 CYS B CB 1977 S SG . CYS B 203 ? 1.4132 1.3889 1.2505 -0.0585 0.0811 0.0503 203 CYS B SG 1978 N N . GLY B 204 ? 1.3375 1.4386 1.2385 -0.0548 0.0843 -0.0114 204 GLY B N 1979 C CA . GLY B 204 ? 1.3268 1.4632 1.2421 -0.0459 0.0798 -0.0297 204 GLY B CA 1980 C C . GLY B 204 ? 1.3800 1.5114 1.2862 -0.0304 0.0693 -0.0230 204 GLY B C 1981 O O . GLY B 204 ? 1.3778 1.4813 1.2675 -0.0270 0.0660 -0.0049 204 GLY B O 1982 N N . GLY B 205 ? 1.3371 1.4967 1.2550 -0.0204 0.0634 -0.0399 205 GLY B N 1983 C CA . GLY B 205 ? 1.3338 1.4913 1.2463 -0.0058 0.0534 -0.0378 205 GLY B CA 1984 C C . GLY B 205 ? 1.3837 1.5224 1.2959 0.0124 0.0389 -0.0325 205 GLY B C 1985 O O . GLY B 205 ? 1.3736 1.5247 1.2963 0.0250 0.0301 -0.0459 205 GLY B O 1986 N N . SER B 206 ? 1.3482 1.4569 1.2468 0.0140 0.0363 -0.0138 206 SER B N 1987 C CA . SER B 206 ? 1.3439 1.4324 1.2394 0.0273 0.0254 -0.0071 206 SER B CA 1988 C C . SER B 206 ? 1.3974 1.4651 1.2880 0.0227 0.0270 0.0060 206 SER B C 1989 O O . SER B 206 ? 1.3972 1.4519 1.2786 0.0140 0.0326 0.0172 206 SER B O 1990 C CB . SER B 206 ? 1.3916 1.4683 1.2787 0.0340 0.0202 -0.0014 206 SER B CB 1991 O OG . SER B 206 ? 1.5069 1.6029 1.3999 0.0403 0.0168 -0.0153 206 SER B OG 1992 N N . ASN B 207 ? 1.3531 1.4185 1.2487 0.0299 0.0214 0.0033 207 ASN B N 1993 C CA . ASN B 207 ? 1.3497 1.3999 1.2433 0.0274 0.0216 0.0125 207 ASN B CA 1994 C C . ASN B 207 ? 1.3979 1.4402 1.2896 0.0399 0.0125 0.0130 207 ASN B C 1995 O O . ASN B 207 ? 1.3904 1.4274 1.2831 0.0395 0.0118 0.0163 207 ASN B O 1996 C CB . ASN B 207 ? 1.3628 1.4231 1.2656 0.0162 0.0295 0.0072 207 ASN B CB 1997 C CG . ASN B 207 ? 1.6570 1.7449 1.5750 0.0185 0.0295 -0.0116 207 ASN B CG 1998 O OD1 . ASN B 207 ? 1.5896 1.6977 1.5140 0.0121 0.0354 -0.0227 207 ASN B OD1 1999 N ND2 . ASN B 207 ? 1.5504 1.6425 1.4746 0.0279 0.0230 -0.0174 207 ASN B ND2 2000 N N . GLU B 208 ? 1.3594 1.3987 1.2461 0.0510 0.0054 0.0099 208 GLU B N 2001 C CA . GLU B 208 ? 1.3642 1.3896 1.2422 0.0629 -0.0028 0.0122 208 GLU B CA 2002 C C . GLU B 208 ? 1.4177 1.4190 1.2826 0.0636 -0.0046 0.0230 208 GLU B C 2003 O O . GLU B 208 ? 1.4094 1.4091 1.2744 0.0576 -0.0012 0.0258 208 GLU B O 2004 C CB . GLU B 208 ? 1.3899 1.4276 1.2701 0.0772 -0.0109 -0.0021 208 GLU B CB 2005 C CG . GLU B 208 ? 1.5192 1.5818 1.4132 0.0778 -0.0100 -0.0150 208 GLU B CG 2006 C CD . GLU B 208 ? 1.7713 1.8293 1.6650 0.0760 -0.0091 -0.0093 208 GLU B CD 2007 O OE1 . GLU B 208 ? 1.7134 1.7542 1.5930 0.0855 -0.0153 -0.0023 208 GLU B OE1 2008 O OE2 . GLU B 208 ? 1.6813 1.7519 1.5877 0.0646 -0.0017 -0.0122 208 GLU B OE2 2009 N N . GLY B 209 ? 1.3837 1.3670 1.2366 0.0700 -0.0091 0.0284 209 GLY B N 2010 C CA . GLY B 209 ? 1.3907 1.3500 1.2309 0.0678 -0.0089 0.0377 209 GLY B CA 2011 C C . GLY B 209 ? 1.4293 1.3844 1.2685 0.0581 -0.0037 0.0463 209 GLY B C 2012 O O . GLY B 209 ? 1.4103 1.3794 1.2596 0.0531 -0.0006 0.0455 209 GLY B O 2013 N N . LEU B 210 ? 1.3940 1.3303 1.2217 0.0546 -0.0022 0.0532 210 LEU B N 2014 C CA . LEU B 210 ? 1.4124 1.3243 1.2249 0.0566 -0.0037 0.0561 210 LEU B CA 2015 C C . LEU B 210 ? 1.4555 1.3640 1.2720 0.0552 -0.0037 0.0523 210 LEU B C 2016 O O . LEU B 210 ? 1.4604 1.3632 1.2739 0.0643 -0.0093 0.0473 210 LEU B O 2017 C CB . LEU B 210 ? 1.4374 1.3331 1.2327 0.0687 -0.0101 0.0572 210 LEU B CB 2018 C CG . LEU B 210 ? 1.5283 1.3920 1.3000 0.0658 -0.0082 0.0662 210 LEU B CG 2019 C CD1 . LEU B 210 ? 1.5262 1.3945 1.2954 0.0557 -0.0015 0.0720 210 LEU B CD1 2020 C CD2 . LEU B 210 ? 1.5917 1.4335 1.3414 0.0815 -0.0168 0.0674 210 LEU B CD2 2021 N N . THR B 211 ? 1.3965 1.3109 1.2204 0.0452 0.0017 0.0528 211 THR B N 2022 C CA . THR B 211 ? 1.3914 1.3067 1.2208 0.0430 0.0024 0.0480 211 THR B CA 2023 C C . THR B 211 ? 1.4420 1.3479 1.2696 0.0327 0.0077 0.0487 211 THR B C 2024 O O . THR B 211 ? 1.4292 1.3407 1.2580 0.0258 0.0118 0.0511 211 THR B O 2025 C CB . THR B 211 ? 1.4719 1.4113 1.3139 0.0431 0.0029 0.0439 211 THR B CB 2026 O OG1 . THR B 211 ? 1.4520 1.4017 1.2976 0.0384 0.0059 0.0477 211 THR B OG1 2027 C CG2 . THR B 211 ? 1.4537 1.4040 1.2994 0.0511 -0.0010 0.0384 211 THR B CG2 2028 N N . THR B 212 ? 1.4100 1.3033 1.2361 0.0316 0.0077 0.0444 212 THR B N 2029 C CA . THR B 212 ? 1.4152 1.3008 1.2420 0.0203 0.0137 0.0414 212 THR B CA 2030 C C . THR B 212 ? 1.4426 1.3506 1.2851 0.0195 0.0139 0.0319 212 THR B C 2031 O O . THR B 212 ? 1.4403 1.3504 1.2883 0.0110 0.0184 0.0252 212 THR B O 2032 C CB . THR B 212 ? 1.5537 1.4052 1.3663 0.0185 0.0142 0.0424 212 THR B CB 2033 O OG1 . THR B 212 ? 1.5680 1.4008 1.3646 0.0288 0.0085 0.0494 212 THR B OG1 2034 C CG2 . THR B 212 ? 1.5543 1.3911 1.3603 0.0025 0.0238 0.0433 212 THR B CG2 2035 N N . THR B 213 ? 1.3795 1.3056 1.2281 0.0280 0.0095 0.0305 213 THR B N 2036 C CA . THR B 213 ? 1.3628 1.3101 1.2215 0.0299 0.0087 0.0231 213 THR B CA 2037 C C . THR B 213 ? 1.3883 1.3537 1.2478 0.0327 0.0082 0.0273 213 THR B C 2038 O O . THR B 213 ? 1.3791 1.3421 1.2347 0.0339 0.0079 0.0341 213 THR B O 2039 C CB . THR B 213 ? 1.4733 1.4214 1.3349 0.0368 0.0045 0.0164 213 THR B CB 2040 O OG1 . THR B 213 ? 1.4676 1.4155 1.3253 0.0440 0.0008 0.0197 213 THR B OG1 2041 C CG2 . THR B 213 ? 1.4765 1.4030 1.3370 0.0342 0.0044 0.0109 213 THR B CG2 2042 N N . ASP B 214 ? 1.3328 1.3147 1.1959 0.0342 0.0078 0.0227 214 ASP B N 2043 C CA . ASP B 214 ? 1.3212 1.3138 1.1800 0.0372 0.0072 0.0275 214 ASP B CA 2044 C C . ASP B 214 ? 1.3621 1.3589 1.2177 0.0398 0.0074 0.0309 214 ASP B C 2045 O O . ASP B 214 ? 1.3584 1.3612 1.2171 0.0425 0.0064 0.0250 214 ASP B O 2046 C CB . ASP B 214 ? 1.3444 1.3510 1.2034 0.0407 0.0055 0.0212 214 ASP B CB 2047 C CG . ASP B 214 ? 1.4646 1.4743 1.3267 0.0393 0.0048 0.0164 214 ASP B CG 2048 O OD1 . ASP B 214 ? 1.4702 1.4720 1.3365 0.0326 0.0074 0.0160 214 ASP B OD1 2049 O OD2 . ASP B 214 ? 1.5383 1.5597 1.3976 0.0455 0.0015 0.0118 214 ASP B OD2 2050 N N . LYS B 215 ? 1.3114 1.3066 1.1622 0.0384 0.0089 0.0383 215 LYS B N 2051 C CA . LYS B 215 ? 1.3076 1.3091 1.1566 0.0378 0.0112 0.0397 215 LYS B CA 2052 C C . LYS B 215 ? 1.3562 1.3590 1.1952 0.0354 0.0143 0.0460 215 LYS B C 2053 O O . LYS B 215 ? 1.3531 1.3471 1.1869 0.0355 0.0131 0.0512 215 LYS B O 2054 C CB . LYS B 215 ? 1.3374 1.3338 1.1906 0.0370 0.0111 0.0407 215 LYS B CB 2055 C CG . LYS B 215 ? 1.5279 1.5196 1.3851 0.0416 0.0074 0.0350 215 LYS B CG 2056 C CD . LYS B 215 ? 1.6599 1.6652 1.5212 0.0456 0.0062 0.0263 215 LYS B CD 2057 C CE . LYS B 215 ? 1.8114 1.8074 1.6741 0.0530 0.0002 0.0201 215 LYS B CE 2058 N NZ . LYS B 215 ? 1.9331 1.9283 1.7959 0.0580 -0.0027 0.0182 215 LYS B NZ 2059 N N . VAL B 216 ? 1.3135 1.3264 1.1485 0.0332 0.0182 0.0449 216 VAL B N 2060 C CA . VAL B 216 ? 1.3229 1.3324 1.1433 0.0287 0.0231 0.0521 216 VAL B CA 2061 C C . VAL B 216 ? 1.3678 1.3826 1.1906 0.0200 0.0301 0.0515 216 VAL B C 2062 O O . VAL B 216 ? 1.3550 1.3864 1.1883 0.0196 0.0312 0.0422 216 VAL B O 2063 C CB . VAL B 216 ? 1.3847 1.4010 1.1923 0.0324 0.0231 0.0520 216 VAL B CB 2064 C CG1 . VAL B 216 ? 1.3810 1.4183 1.1935 0.0314 0.0260 0.0432 216 VAL B CG1 2065 C CG2 . VAL B 216 ? 1.4056 1.4073 1.1903 0.0300 0.0264 0.0629 216 VAL B CG2 2066 N N . ILE B 217 ? 1.3308 1.3318 1.1453 0.0135 0.0343 0.0593 217 ILE B N 2067 C CA . ILE B 217 ? 1.3320 1.3375 1.1499 0.0027 0.0426 0.0574 217 ILE B CA 2068 C C . ILE B 217 ? 1.4041 1.3993 1.2006 -0.0067 0.0513 0.0656 217 ILE B C 2069 O O . ILE B 217 ? 1.4159 1.3864 1.1975 -0.0076 0.0510 0.0760 217 ILE B O 2070 C CB . ILE B 217 ? 1.3634 1.3607 1.1920 0.0013 0.0410 0.0575 217 ILE B CB 2071 C CG1 . ILE B 217 ? 1.3495 1.3486 1.1907 0.0114 0.0319 0.0537 217 ILE B CG1 2072 C CG2 . ILE B 217 ? 1.3751 1.3840 1.2129 -0.0095 0.0492 0.0502 217 ILE B CG2 2073 C CD1 . ILE B 217 ? 1.4315 1.4477 1.2844 0.0172 0.0287 0.0431 217 ILE B CD1 2074 N N . ASN B 218 ? 1.3645 1.3774 1.1574 -0.0132 0.0587 0.0605 218 ASN B N 2075 C CA . ASN B 218 ? 1.3915 1.3950 1.1600 -0.0242 0.0692 0.0686 218 ASN B CA 2076 C C . ASN B 218 ? 1.4505 1.4449 1.2179 -0.0411 0.0806 0.0698 218 ASN B C 2077 O O . ASN B 218 ? 1.4261 1.4389 1.2168 -0.0457 0.0827 0.0577 218 ASN B O 2078 C CB . ASN B 218 ? 1.4057 1.4354 1.1712 -0.0261 0.0739 0.0611 218 ASN B CB 2079 C CG . ASN B 218 ? 1.6986 1.7324 1.4591 -0.0111 0.0643 0.0614 218 ASN B CG 2080 O OD1 . ASN B 218 ? 1.5984 1.6444 1.3785 -0.0003 0.0550 0.0525 218 ASN B OD1 2081 N ND2 . ASN B 218 ? 1.6283 1.6504 1.3609 -0.0099 0.0663 0.0713 218 ASN B ND2 2082 N N . ASN B 219 ? 1.4411 1.4054 1.1801 -0.0496 0.0875 0.0837 219 ASN B N 2083 C CA . ASN B 219 ? 1.4629 1.4092 1.1949 -0.0680 0.0999 0.0873 219 ASN B CA 2084 C C . ASN B 219 ? 1.4876 1.4273 1.2414 -0.0665 0.0948 0.0831 219 ASN B C 2085 O O . ASN B 219 ? 1.4758 1.4303 1.2484 -0.0788 0.1027 0.0719 219 ASN B O 2086 C CB . ASN B 219 ? 1.4873 1.4589 1.2225 -0.0879 0.1166 0.0770 219 ASN B CB 2087 C CG . ASN B 219 ? 1.8178 1.7916 1.5254 -0.0921 0.1239 0.0833 219 ASN B CG 2088 O OD1 . ASN B 219 ? 1.7890 1.7274 1.4602 -0.0950 0.1275 0.1006 219 ASN B OD1 2089 N ND2 . ASN B 219 ? 1.6992 1.7142 1.4218 -0.0916 0.1257 0.0686 219 ASN B ND2 2090 N N . CYS B 220 ? 1.4310 1.3520 1.1830 -0.0508 0.0813 0.0900 220 CYS B N 2091 C CA . CYS B 220 ? 1.4100 1.3250 1.1801 -0.0464 0.0745 0.0868 220 CYS B CA 2092 C C . CYS B 220 ? 1.4691 1.3494 1.2210 -0.0363 0.0651 0.0989 220 CYS B C 2093 O O . CYS B 220 ? 1.4715 1.3430 1.2054 -0.0250 0.0583 0.1059 220 CYS B O 2094 C CB . CYS B 220 ? 1.3732 1.3177 1.1706 -0.0348 0.0654 0.0752 220 CYS B CB 2095 S SG . CYS B 220 ? 1.4016 1.3562 1.2267 -0.0359 0.0634 0.0644 220 CYS B SG 2096 N N . LYS B 221 ? 1.4266 1.2895 1.1844 -0.0392 0.0639 0.0990 221 LYS B N 2097 C CA . LYS B 221 ? 1.4389 1.2701 1.1823 -0.0284 0.0536 0.1072 221 LYS B CA 2098 C C . LYS B 221 ? 1.4449 1.2934 1.2109 -0.0137 0.0406 0.0995 221 LYS B C 2099 O O . LYS B 221 ? 1.4088 1.2840 1.2004 -0.0156 0.0416 0.0893 221 LYS B O 2100 C CB . LYS B 221 ? 1.5034 1.3031 1.2389 -0.0405 0.0598 0.1109 221 LYS B CB 2101 C CG . LYS B 221 ? 1.7277 1.4823 1.4323 -0.0312 0.0517 0.1234 221 LYS B CG 2102 C CD . LYS B 221 ? 1.8950 1.6123 1.5885 -0.0452 0.0592 0.1277 221 LYS B CD 2103 C CE . LYS B 221 ? 2.0801 1.7467 1.7376 -0.0339 0.0498 0.1407 221 LYS B CE 2104 N NZ . LYS B 221 ? 2.2397 1.8631 1.8835 -0.0489 0.0578 0.1457 221 LYS B NZ 2105 N N . VAL B 222 ? 1.4020 1.2360 1.1568 0.0013 0.0285 0.1034 222 VAL B N 2106 C CA . VAL B 222 ? 1.3675 1.2178 1.1407 0.0138 0.0173 0.0955 222 VAL B CA 2107 C C . VAL B 222 ? 1.3948 1.2484 1.1885 0.0107 0.0162 0.0886 222 VAL B C 2108 O O . VAL B 222 ? 1.3591 1.2360 1.1728 0.0152 0.0121 0.0806 222 VAL B O 2109 C CB . VAL B 222 ? 1.4296 1.2688 1.1872 0.0302 0.0050 0.0976 222 VAL B CB 2110 C CG1 . VAL B 222 ? 1.4601 1.2657 1.2018 0.0361 -0.0020 0.1016 222 VAL B CG1 2111 C CG2 . VAL B 222 ? 1.3944 1.2611 1.1717 0.0394 -0.0027 0.0874 222 VAL B CG2 2112 N N . ASP B 223 ? 1.3699 1.1996 1.1576 0.0022 0.0206 0.0914 223 ASP B N 2113 C CA . ASP B 223 ? 1.3562 1.1884 1.1635 -0.0014 0.0201 0.0835 223 ASP B CA 2114 C C . ASP B 223 ? 1.3680 1.2301 1.1988 -0.0116 0.0288 0.0742 223 ASP B C 2115 O O . ASP B 223 ? 1.3440 1.2216 1.1955 -0.0100 0.0260 0.0648 223 ASP B O 2116 C CB . ASP B 223 ? 1.4212 1.2146 1.2132 -0.0084 0.0227 0.0887 223 ASP B CB 2117 C CG . ASP B 223 ? 1.5835 1.3434 1.3499 0.0054 0.0112 0.0966 223 ASP B CG 2118 O OD1 . ASP B 223 ? 1.5914 1.3440 1.3646 0.0151 0.0005 0.0909 223 ASP B OD1 2119 O OD2 . ASP B 223 ? 1.6845 1.4271 1.4236 0.0078 0.0121 0.1071 223 ASP B OD2 2120 N N . GLN B 224 ? 1.3159 1.1881 1.1430 -0.0205 0.0385 0.0754 224 GLN B N 2121 C CA . GLN B 224 ? 1.2888 1.1913 1.1365 -0.0281 0.0457 0.0645 224 GLN B CA 2122 C C . GLN B 224 ? 1.2938 1.2244 1.1546 -0.0165 0.0388 0.0589 224 GLN B C 2123 O O . GLN B 224 ? 1.2713 1.2262 1.1484 -0.0180 0.0412 0.0486 224 GLN B O 2124 C CB . GLN B 224 ? 1.3228 1.2269 1.1609 -0.0419 0.0585 0.0657 224 GLN B CB 2125 C CG . GLN B 224 ? 1.5564 1.4368 1.3853 -0.0595 0.0700 0.0678 224 GLN B CG 2126 C CD . GLN B 224 ? 1.8226 1.7108 1.6430 -0.0750 0.0843 0.0671 224 GLN B CD 2127 O OE1 . GLN B 224 ? 1.7908 1.6614 1.5848 -0.0766 0.0873 0.0791 224 GLN B OE1 2128 N NE2 . GLN B 224 ? 1.7134 1.6314 1.5562 -0.0861 0.0931 0.0513 224 GLN B NE2 2129 N N . CYS B 225 ? 1.2362 1.1626 1.0890 -0.0050 0.0302 0.0646 225 CYS B N 2130 C CA . CYS B 225 ? 1.2061 1.1519 1.0667 0.0039 0.0248 0.0611 225 CYS B CA 2131 C C . CYS B 225 ? 1.2166 1.1655 1.0845 0.0123 0.0166 0.0586 225 CYS B C 2132 O O . CYS B 225 ? 1.2187 1.1548 1.0838 0.0146 0.0124 0.0601 225 CYS B O 2133 C CB . CYS B 225 ? 1.2163 1.1608 1.0644 0.0075 0.0241 0.0663 225 CYS B CB 2134 S SG . CYS B 225 ? 1.2785 1.2295 1.1203 -0.0016 0.0338 0.0662 225 CYS B SG 2135 N N . HIS B 226 ? 1.1367 1.1019 1.0123 0.0171 0.0143 0.0545 226 HIS B N 2136 C CA . HIS B 226 ? 1.1144 1.0858 0.9948 0.0231 0.0087 0.0520 226 HIS B CA 2137 C C . HIS B 226 ? 1.1311 1.1067 1.0063 0.0268 0.0074 0.0537 226 HIS B C 2138 O O . HIS B 226 ? 1.1224 1.1024 0.9968 0.0272 0.0094 0.0530 226 HIS B O 2139 C CB . HIS B 226 ? 1.1169 1.1010 1.0095 0.0237 0.0086 0.0447 226 HIS B CB 2140 C CG . HIS B 226 ? 1.1520 1.1442 1.0470 0.0292 0.0040 0.0423 226 HIS B CG 2141 N ND1 . HIS B 226 ? 1.1704 1.1689 1.0608 0.0332 0.0033 0.0428 226 HIS B ND1 2142 C CD2 . HIS B 226 ? 1.1724 1.1667 1.0725 0.0310 0.0002 0.0392 226 HIS B CD2 2143 C CE1 . HIS B 226 ? 1.1601 1.1645 1.0512 0.0356 0.0006 0.0409 226 HIS B CE1 2144 N NE2 . HIS B 226 ? 1.1635 1.1685 1.0622 0.0346 -0.0016 0.0375 226 HIS B NE2 2145 N N . ALA B 227 ? 1.0678 1.0422 0.9400 0.0292 0.0041 0.0542 227 ALA B N 2146 C CA . ALA B 227 ? 1.0540 1.0305 0.9217 0.0298 0.0043 0.0545 227 ALA B CA 2147 C C . ALA B 227 ? 1.0760 1.0590 0.9454 0.0298 0.0032 0.0514 227 ALA B C 2148 O O . ALA B 227 ? 1.0677 1.0556 0.9418 0.0308 0.0002 0.0477 227 ALA B O 2149 C CB . ALA B 227 ? 1.0678 1.0404 0.9301 0.0304 0.0036 0.0554 227 ALA B CB 2150 N N . ALA B 228 ? 1.0179 0.9996 0.8817 0.0284 0.0056 0.0527 228 ALA B N 2151 C CA . ALA B 228 ? 1.0104 0.9963 0.8711 0.0257 0.0070 0.0510 228 ALA B CA 2152 C C . ALA B 228 ? 1.0488 1.0256 0.8995 0.0209 0.0113 0.0531 228 ALA B C 2153 O O . ALA B 228 ? 1.0485 1.0140 0.8929 0.0229 0.0116 0.0569 228 ALA B O 2154 C CB . ALA B 228 ? 1.0207 1.0103 0.8805 0.0290 0.0060 0.0513 228 ALA B CB 2155 N N . VAL B 229 ? 0.9943 0.9767 0.8443 0.0140 0.0146 0.0490 229 VAL B N 2156 C CA . VAL B 229 ? 0.9990 0.9714 0.8398 0.0059 0.0208 0.0496 229 VAL B CA 2157 C C . VAL B 229 ? 1.0503 1.0105 0.8747 0.0031 0.0246 0.0557 229 VAL B C 2158 O O . VAL B 229 ? 1.0452 1.0160 0.8686 0.0012 0.0258 0.0541 229 VAL B O 2159 C CB . VAL B 229 ? 1.0456 1.0324 0.8943 -0.0022 0.0241 0.0393 229 VAL B CB 2160 C CG1 . VAL B 229 ? 1.0612 1.0371 0.9012 -0.0141 0.0327 0.0384 229 VAL B CG1 2161 C CG2 . VAL B 229 ? 1.0314 1.0272 0.8913 0.0038 0.0187 0.0336 229 VAL B CG2 2162 N N . THR B 230 ? 1.0131 0.9502 0.8231 0.0041 0.0257 0.0624 230 THR B N 2163 C CA . THR B 230 ? 1.0322 0.9494 0.8194 0.0034 0.0284 0.0701 230 THR B CA 2164 C C . THR B 230 ? 1.0887 0.9937 0.8651 -0.0125 0.0386 0.0699 230 THR B C 2165 O O . THR B 230 ? 1.0793 0.9845 0.8649 -0.0187 0.0413 0.0645 230 THR B O 2166 C CB . THR B 230 ? 1.1472 1.0427 0.9225 0.0150 0.0226 0.0759 230 THR B CB 2167 O OG1 . THR B 230 ? 1.1582 1.0357 0.9300 0.0108 0.0247 0.0760 230 THR B OG1 2168 C CG2 . THR B 230 ? 1.1040 1.0154 0.8947 0.0273 0.0145 0.0723 230 THR B CG2 2169 N N . ASN B 231 ? 1.0585 0.9537 0.8152 -0.0199 0.0451 0.0747 231 ASN B N 2170 C CA . ASN B 231 ? 1.0765 0.9590 0.8217 -0.0387 0.0574 0.0739 231 ASN B CA 2171 C C . ASN B 231 ? 1.1548 0.9922 0.8683 -0.0413 0.0612 0.0857 231 ASN B C 2172 O O . ASN B 231 ? 1.1630 0.9826 0.8767 -0.0478 0.0644 0.0841 231 ASN B O 2173 C CB . ASN B 231 ? 1.0901 0.9962 0.8373 -0.0516 0.0658 0.0675 231 ASN B CB 2174 C CG . ASN B 231 ? 1.4073 1.3186 1.1586 -0.0730 0.0787 0.0578 231 ASN B CG 2175 O OD1 . ASN B 231 ? 1.3382 1.2349 1.0920 -0.0791 0.0818 0.0555 231 ASN B OD1 2176 N ND2 . ASN B 231 ? 1.3134 1.2496 1.0678 -0.0853 0.0866 0.0494 231 ASN B ND2 2177 N N . HIS B 232 ? 1.1235 0.9413 0.8087 -0.0354 0.0602 0.0969 232 HIS B N 2178 C CA . HIS B 232 ? 1.1648 0.9332 0.8119 -0.0342 0.0618 0.1102 232 HIS B CA 2179 C C . HIS B 232 ? 1.2348 0.9739 0.8613 -0.0581 0.0776 0.1135 232 HIS B C 2180 O O . HIS B 232 ? 1.2811 0.9762 0.8683 -0.0597 0.0811 0.1267 232 HIS B O 2181 C CB . HIS B 232 ? 1.1764 0.9244 0.8226 -0.0153 0.0490 0.1125 232 HIS B CB 2182 C CG . HIS B 232 ? 1.1880 0.9608 0.8494 0.0061 0.0354 0.1091 232 HIS B CG 2183 N ND1 . HIS B 232 ? 1.1810 0.9680 0.8668 0.0164 0.0269 0.1017 232 HIS B ND1 2184 C CD2 . HIS B 232 ? 1.2056 0.9923 0.8614 0.0173 0.0302 0.1109 232 HIS B CD2 2185 C CE1 . HIS B 232 ? 1.1536 0.9614 0.8478 0.0315 0.0180 0.0990 232 HIS B CE1 2186 N NE2 . HIS B 232 ? 1.1706 0.9798 0.8489 0.0333 0.0191 0.1037 232 HIS B NE2 2187 N N . LYS B 233 ? 0.8179 0.9050 0.8408 0.1301 0.0010 -0.1857 233 LYS B N 2188 C CA . LYS B 233 ? 0.8329 0.8752 0.8455 0.1229 0.0007 -0.2047 233 LYS B CA 2189 C C . LYS B 233 ? 0.8460 0.8574 0.8647 0.1065 -0.0062 -0.1928 233 LYS B C 2190 O O . LYS B 233 ? 0.8618 0.8309 0.8750 0.0998 -0.0049 -0.2057 233 LYS B O 2191 C CB . LYS B 233 ? 0.8758 0.9406 0.8749 0.1135 0.0004 -0.2241 233 LYS B CB 2192 C CG . LYS B 233 ? 1.0847 1.1676 1.0726 0.1295 0.0088 -0.2452 233 LYS B CG 2193 C CD . LYS B 233 ? 1.2220 1.3305 1.1952 0.1186 0.0071 -0.2659 233 LYS B CD 2194 C CE . LYS B 233 ? 1.3945 1.5174 1.3539 0.1335 0.0159 -0.2922 233 LYS B CE 2195 N NZ . LYS B 233 ? 1.5189 1.6727 1.4627 0.1220 0.0131 -0.3142 233 LYS B NZ 2196 N N . LYS B 234 ? 0.7532 0.7848 0.7828 0.0989 -0.0123 -0.1695 234 LYS B N 2197 C CA . LYS B 234 ? 0.7267 0.7354 0.7618 0.0847 -0.0187 -0.1578 234 LYS B CA 2198 C C . LYS B 234 ? 0.7436 0.7458 0.7907 0.0895 -0.0207 -0.1383 234 LYS B C 2199 O O . LYS B 234 ? 0.7330 0.7591 0.7867 0.1012 -0.0183 -0.1314 234 LYS B O 2200 C CB . LYS B 234 ? 0.7360 0.7710 0.7699 0.0697 -0.0245 -0.1505 234 LYS B CB 2201 C CG . LYS B 234 ? 0.9217 0.9682 0.9438 0.0628 -0.0252 -0.1700 234 LYS B CG 2202 C CD . LYS B 234 ? 1.0483 1.0657 1.0698 0.0487 -0.0283 -0.1811 234 LYS B CD 2203 C CE . LYS B 234 ? 1.1971 1.2304 1.2081 0.0408 -0.0284 -0.2063 234 LYS B CE 2204 N NZ . LYS B 234 ? 1.3225 1.3277 1.3347 0.0239 -0.0292 -0.2208 234 LYS B NZ 2205 N N . TRP B 235 ? 0.6811 0.6559 0.7310 0.0799 -0.0249 -0.1309 235 TRP B N 2206 C CA . TRP B 235 ? 0.6580 0.6273 0.7171 0.0818 -0.0280 -0.1140 235 TRP B CA 2207 C C . TRP B 235 ? 0.6709 0.6525 0.7351 0.0656 -0.0341 -0.1016 235 TRP B C 2208 O O . TRP B 235 ? 0.6627 0.6450 0.7222 0.0546 -0.0361 -0.1054 235 TRP B O 2209 C CB . TRP B 235 ? 0.6620 0.5863 0.7168 0.0863 -0.0261 -0.1149 235 TRP B CB 2210 C CG . TRP B 235 ? 0.6941 0.6089 0.7482 0.1092 -0.0214 -0.1125 235 TRP B CG 2211 C CD1 . TRP B 235 ? 0.7272 0.6766 0.7873 0.1254 -0.0201 -0.1100 235 TRP B CD1 2212 C CD2 . TRP B 235 ? 0.7230 0.5929 0.7693 0.1204 -0.0164 -0.1106 235 TRP B CD2 2213 N NE1 . TRP B 235 ? 0.7461 0.6783 0.8030 0.1488 -0.0157 -0.1072 235 TRP B NE1 2214 C CE2 . TRP B 235 ? 0.7879 0.6676 0.8346 0.1471 -0.0129 -0.1063 235 TRP B CE2 2215 C CE3 . TRP B 235 ? 0.7585 0.5812 0.7967 0.1107 -0.0133 -0.1112 235 TRP B CE3 2216 C CZ2 . TRP B 235 ? 0.8166 0.6572 0.8537 0.1677 -0.0064 -0.1007 235 TRP B CZ2 2217 C CZ3 . TRP B 235 ? 0.8145 0.5953 0.8433 0.1276 -0.0058 -0.1054 235 TRP B CZ3 2218 C CH2 . TRP B 235 ? 0.8401 0.6279 0.8671 0.1574 -0.0024 -0.0994 235 TRP B CH2 2219 N N . GLN B 236 ? 0.6034 0.5966 0.6767 0.0652 -0.0367 -0.0880 236 GLN B N 2220 C CA . GLN B 236 ? 0.5775 0.5774 0.6549 0.0515 -0.0405 -0.0768 236 GLN B CA 2221 C C . GLN B 236 ? 0.6084 0.6038 0.6931 0.0517 -0.0437 -0.0682 236 GLN B C 2222 O O . GLN B 236 ? 0.6083 0.6158 0.6980 0.0629 -0.0429 -0.0678 236 GLN B O 2223 C CB . GLN B 236 ? 0.5878 0.6195 0.6676 0.0473 -0.0376 -0.0714 236 GLN B CB 2224 C CG . GLN B 236 ? 0.7664 0.7970 0.8438 0.0349 -0.0385 -0.0615 236 GLN B CG 2225 C CD . GLN B 236 ? 0.9970 1.0530 1.0728 0.0319 -0.0326 -0.0547 236 GLN B CD 2226 O OE1 . GLN B 236 ? 0.9343 1.0016 1.0175 0.0249 -0.0290 -0.0467 236 GLN B OE1 2227 N NE2 . GLN B 236 ? 0.9025 0.9696 0.9679 0.0358 -0.0306 -0.0582 236 GLN B NE2 2228 N N . TYR B 237 ? 0.5450 0.5278 0.6298 0.0411 -0.0473 -0.0621 237 TYR B N 2229 C CA . TYR B 237 ? 0.5317 0.5135 0.6217 0.0399 -0.0507 -0.0557 237 TYR B CA 2230 C C . TYR B 237 ? 0.5630 0.5769 0.6630 0.0380 -0.0502 -0.0529 237 TYR B C 2231 O O . TYR B 237 ? 0.5537 0.5824 0.6560 0.0295 -0.0468 -0.0515 237 TYR B O 2232 C CB . TYR B 237 ? 0.5383 0.5044 0.6258 0.0285 -0.0535 -0.0515 237 TYR B CB 2233 C CG . TYR B 237 ? 0.5532 0.5240 0.6451 0.0245 -0.0566 -0.0470 237 TYR B CG 2234 C CD1 . TYR B 237 ? 0.5832 0.5503 0.6741 0.0327 -0.0592 -0.0455 237 TYR B CD1 2235 C CD2 . TYR B 237 ? 0.5568 0.5344 0.6518 0.0127 -0.0560 -0.0447 237 TYR B CD2 2236 C CE1 . TYR B 237 ? 0.5893 0.5674 0.6829 0.0293 -0.0629 -0.0433 237 TYR B CE1 2237 C CE2 . TYR B 237 ? 0.5663 0.5493 0.6648 0.0069 -0.0586 -0.0447 237 TYR B CE2 2238 C CZ . TYR B 237 ? 0.6562 0.6432 0.7542 0.0151 -0.0629 -0.0449 237 TYR B CZ 2239 O OH . TYR B 237 ? 0.6602 0.6587 0.7602 0.0097 -0.0662 -0.0467 237 TYR B OH 2240 N N . ASN B 238 ? 0.5134 0.5410 0.6187 0.0459 -0.0529 -0.0518 238 ASN B N 2241 C CA . ASN B 238 ? 0.5023 0.5694 0.6198 0.0425 -0.0533 -0.0517 238 ASN B CA 2242 C C . ASN B 238 ? 0.5397 0.6064 0.6606 0.0216 -0.0541 -0.0503 238 ASN B C 2243 O O . ASN B 238 ? 0.5335 0.6058 0.6568 0.0181 -0.0586 -0.0509 238 ASN B O 2244 C CB . ASN B 238 ? 0.5124 0.5979 0.6330 0.0599 -0.0571 -0.0509 238 ASN B CB 2245 C CG . ASN B 238 ? 0.7889 0.9278 0.9241 0.0595 -0.0581 -0.0532 238 ASN B CG 2246 O OD1 . ASN B 238 ? 0.7069 0.8704 0.8515 0.0451 -0.0541 -0.0560 238 ASN B OD1 2247 N ND2 . ASN B 238 ? 0.6973 0.8589 0.8345 0.0762 -0.0628 -0.0514 238 ASN B ND2 2248 N N . SER B 239 ? 0.4914 0.5490 0.6100 0.0093 -0.0489 -0.0483 239 SER B N 2249 C CA . SER B 239 ? 0.4897 0.5345 0.6075 -0.0087 -0.0463 -0.0459 239 SER B CA 2250 C C . SER B 239 ? 0.5448 0.6170 0.6739 -0.0252 -0.0416 -0.0481 239 SER B C 2251 O O . SER B 239 ? 0.5430 0.6395 0.6778 -0.0266 -0.0360 -0.0472 239 SER B O 2252 C CB . SER B 239 ? 0.5373 0.5581 0.6445 -0.0102 -0.0417 -0.0401 239 SER B CB 2253 O OG . SER B 239 ? 0.6558 0.6615 0.7602 -0.0245 -0.0360 -0.0353 239 SER B OG 2254 N N . PRO B 240 ? 0.5051 0.5737 0.6373 -0.0401 -0.0423 -0.0522 240 PRO B N 2255 C CA . PRO B 240 ? 0.5126 0.6055 0.6562 -0.0616 -0.0361 -0.0571 240 PRO B CA 2256 C C . PRO B 240 ? 0.5781 0.6455 0.7159 -0.0768 -0.0236 -0.0496 240 PRO B C 2257 O O . PRO B 240 ? 0.5875 0.6690 0.7336 -0.0978 -0.0150 -0.0522 240 PRO B O 2258 C CB . PRO B 240 ? 0.5383 0.6316 0.6843 -0.0722 -0.0411 -0.0667 240 PRO B CB 2259 C CG . PRO B 240 ? 0.5906 0.6436 0.7223 -0.0607 -0.0455 -0.0629 240 PRO B CG 2260 C CD . PRO B 240 ? 0.5231 0.5668 0.6482 -0.0398 -0.0477 -0.0544 240 PRO B CD 2261 N N . LEU B 241 ? 0.5361 0.5679 0.6590 -0.0659 -0.0218 -0.0398 241 LEU B N 2262 C CA . LEU B 241 ? 0.5551 0.5596 0.6672 -0.0727 -0.0102 -0.0285 241 LEU B CA 2263 C C . LEU B 241 ? 0.6094 0.6340 0.7191 -0.0643 -0.0054 -0.0205 241 LEU B C 2264 O O . LEU B 241 ? 0.6243 0.6332 0.7237 -0.0680 0.0051 -0.0086 241 LEU B O 2265 C CB . LEU B 241 ? 0.5598 0.5219 0.6562 -0.0626 -0.0118 -0.0224 241 LEU B CB 2266 C CG . LEU B 241 ? 0.6209 0.5609 0.7164 -0.0675 -0.0158 -0.0303 241 LEU B CG 2267 C CD1 . LEU B 241 ? 0.6177 0.5332 0.7013 -0.0508 -0.0208 -0.0258 241 LEU B CD1 2268 C CD2 . LEU B 241 ? 0.6827 0.5972 0.7761 -0.0886 -0.0043 -0.0315 241 LEU B CD2 2269 N N . VAL B 242 ? 0.5505 0.6083 0.6677 -0.0512 -0.0124 -0.0268 242 VAL B N 2270 C CA . VAL B 242 ? 0.5474 0.6293 0.6626 -0.0408 -0.0088 -0.0237 242 VAL B CA 2271 C C . VAL B 242 ? 0.5936 0.7237 0.7263 -0.0435 -0.0080 -0.0314 242 VAL B C 2272 O O . VAL B 242 ? 0.5762 0.7205 0.7188 -0.0396 -0.0163 -0.0401 242 VAL B O 2273 C CB . VAL B 242 ? 0.5848 0.6576 0.6904 -0.0192 -0.0170 -0.0266 242 VAL B CB 2274 C CG1 . VAL B 242 ? 0.5857 0.6806 0.6860 -0.0091 -0.0126 -0.0259 242 VAL B CG1 2275 C CG2 . VAL B 242 ? 0.5855 0.6212 0.6780 -0.0167 -0.0197 -0.0214 242 VAL B CG2 2276 N N . PRO B 243 ? 0.5620 0.7222 0.6985 -0.0488 0.0019 -0.0276 243 PRO B N 2277 C CA . PRO B 243 ? 0.5557 0.7697 0.7109 -0.0500 0.0026 -0.0358 243 PRO B CA 2278 C C . PRO B 243 ? 0.6017 0.8365 0.7588 -0.0224 -0.0059 -0.0438 243 PRO B C 2279 O O . PRO B 243 ? 0.5953 0.8056 0.7384 -0.0055 -0.0091 -0.0435 243 PRO B O 2280 C CB . PRO B 243 ? 0.5928 0.8299 0.7491 -0.0633 0.0174 -0.0279 243 PRO B CB 2281 C CG . PRO B 243 ? 0.6578 0.8601 0.7922 -0.0553 0.0215 -0.0164 243 PRO B CG 2282 C CD . PRO B 243 ? 0.5987 0.7505 0.7224 -0.0527 0.0136 -0.0149 243 PRO B CD 2283 N N . ARG B 244 ? 0.5609 0.8411 0.7348 -0.0177 -0.0089 -0.0515 244 ARG B N 2284 C CA . ARG B 244 ? 0.5584 0.8581 0.7338 0.0115 -0.0148 -0.0580 244 ARG B CA 2285 C C . ARG B 244 ? 0.6330 0.9591 0.8064 0.0229 -0.0064 -0.0588 244 ARG B C 2286 O O . ARG B 244 ? 0.6333 0.9822 0.8109 0.0058 0.0038 -0.0543 244 ARG B O 2287 C CB . ARG B 244 ? 0.5498 0.8973 0.7435 0.0148 -0.0202 -0.0641 244 ARG B CB 2288 C CG . ARG B 244 ? 0.6568 1.0019 0.8467 0.0470 -0.0289 -0.0671 244 ARG B CG 2289 C CD . ARG B 244 ? 0.7475 1.1495 0.9545 0.0536 -0.0344 -0.0712 244 ARG B CD 2290 N NE . ARG B 244 ? 0.8203 1.2192 1.0317 0.0330 -0.0407 -0.0725 244 ARG B NE 2291 C CZ . ARG B 244 ? 0.9816 1.4361 1.2090 0.0286 -0.0459 -0.0784 244 ARG B CZ 2292 N NH1 . ARG B 244 ? 0.8066 1.2545 1.0352 0.0088 -0.0513 -0.0822 244 ARG B NH1 2293 N NH2 . ARG B 244 ? 0.8188 1.3400 1.0610 0.0449 -0.0458 -0.0819 244 ARG B NH2 2294 N N . ASN B 245 ? 0.6081 0.9290 0.7739 0.0513 -0.0092 -0.0648 245 ASN B N 2295 C CA . ASN B 245 ? 0.6221 0.9687 0.7845 0.0655 -0.0014 -0.0690 245 ASN B CA 2296 C C . ASN B 245 ? 0.6853 1.1004 0.8679 0.0706 0.0027 -0.0722 245 ASN B C 2297 O O . ASN B 245 ? 0.6781 1.1134 0.8707 0.0864 -0.0035 -0.0761 245 ASN B O 2298 C CB . ASN B 245 ? 0.6469 0.9602 0.7937 0.0924 -0.0044 -0.0775 245 ASN B CB 2299 C CG . ASN B 245 ? 0.9630 1.2891 1.0997 0.1029 0.0037 -0.0840 245 ASN B CG 2300 O OD1 . ASN B 245 ? 0.9015 1.2744 1.0460 0.1150 0.0101 -0.0883 245 ASN B OD1 2301 N ND2 . ASN B 245 ? 0.8699 1.1595 0.9887 0.0995 0.0035 -0.0860 245 ASN B ND2 2302 N N . ALA B 246 ? 0.6568 1.1113 0.8455 0.0569 0.0138 -0.0695 246 ALA B N 2303 C CA . ALA B 246 ? 0.6602 1.1892 0.8705 0.0560 0.0200 -0.0725 246 ALA B CA 2304 C C . ALA B 246 ? 0.7292 1.2934 0.9418 0.0929 0.0204 -0.0820 246 ALA B C 2305 O O . ALA B 246 ? 0.7214 1.3420 0.9533 0.1025 0.0188 -0.0858 246 ALA B O 2306 C CB . ALA B 246 ? 0.6765 1.2314 0.8895 0.0298 0.0342 -0.0651 246 ALA B CB 2307 N N . GLU B 247 ? 0.7084 1.2420 0.9012 0.1141 0.0229 -0.0869 247 GLU B N 2308 C CA . GLU B 247 ? 0.7268 1.2817 0.9169 0.1511 0.0257 -0.0978 247 GLU B CA 2309 C C . GLU B 247 ? 0.7885 1.3304 0.9809 0.1794 0.0167 -0.1011 247 GLU B C 2310 O O . GLU B 247 ? 0.7902 1.3858 0.9962 0.2022 0.0180 -0.1043 247 GLU B O 2311 C CB . GLU B 247 ? 0.7614 1.2781 0.9270 0.1624 0.0304 -0.1053 247 GLU B CB 2312 C CG . GLU B 247 ? 0.9215 1.4691 1.0840 0.1958 0.0380 -0.1183 247 GLU B CG 2313 C CD . GLU B 247 ? 1.2050 1.7245 1.3435 0.2036 0.0437 -0.1295 247 GLU B CD 2314 O OE1 . GLU B 247 ? 1.1417 1.7082 1.2795 0.2075 0.0540 -0.1336 247 GLU B OE1 2315 O OE2 . GLU B 247 ? 1.1371 1.5919 1.2578 0.2048 0.0381 -0.1351 247 GLU B OE2 2316 N N . LEU B 248 ? 0.7490 1.2230 0.9276 0.1791 0.0084 -0.0989 248 LEU B N 2317 C CA . LEU B 248 ? 0.7595 1.2115 0.9358 0.2048 0.0011 -0.0983 248 LEU B CA 2318 C C . LEU B 248 ? 0.7925 1.2773 0.9866 0.1923 -0.0073 -0.0903 248 LEU B C 2319 O O . LEU B 248 ? 0.7684 1.2629 0.9713 0.1575 -0.0087 -0.0862 248 LEU B O 2320 C CB . LEU B 248 ? 0.7747 1.1415 0.9278 0.2096 -0.0019 -0.1001 248 LEU B CB 2321 C CG . LEU B 248 ? 0.8188 1.1425 0.9642 0.1763 -0.0059 -0.0957 248 LEU B CG 2322 C CD1 . LEU B 248 ? 0.8110 1.1084 0.9583 0.1679 -0.0153 -0.0871 248 LEU B CD1 2323 C CD2 . LEU B 248 ? 0.8680 1.1376 0.9923 0.1789 -0.0027 -0.1047 248 LEU B CD2 2324 N N . GLY B 249 ? 0.7603 1.2617 0.9578 0.2218 -0.0121 -0.0886 249 GLY B N 2325 C CA . GLY B 249 ? 0.7445 1.2856 0.9573 0.2156 -0.0212 -0.0831 249 GLY B CA 2326 C C . GLY B 249 ? 0.7842 1.2678 0.9861 0.2008 -0.0297 -0.0768 249 GLY B C 2327 O O . GLY B 249 ? 0.7662 1.2109 0.9627 0.1698 -0.0295 -0.0762 249 GLY B O 2328 N N . ASP B 250 ? 0.7486 1.2290 0.9459 0.2255 -0.0367 -0.0708 250 ASP B N 2329 C CA . ASP B 250 ? 0.7408 1.1735 0.9270 0.2164 -0.0444 -0.0638 250 ASP B CA 2330 C C . ASP B 250 ? 0.8004 1.1470 0.9608 0.2336 -0.0411 -0.0599 250 ASP B C 2331 O O . ASP B 250 ? 0.8083 1.1240 0.9570 0.2469 -0.0452 -0.0512 250 ASP B O 2332 C CB . ASP B 250 ? 0.7670 1.2520 0.9618 0.2309 -0.0535 -0.0587 250 ASP B CB 2333 C CG . ASP B 250 ? 0.8755 1.4230 1.0924 0.1962 -0.0592 -0.0649 250 ASP B CG 2334 O OD1 . ASP B 250 ? 0.8702 1.3923 1.0835 0.1715 -0.0647 -0.0642 250 ASP B OD1 2335 O OD2 . ASP B 250 ? 0.9486 1.5705 1.1865 0.1928 -0.0569 -0.0716 250 ASP B OD2 2336 N N . ARG B 251 ? 0.7532 1.0630 0.9045 0.2311 -0.0329 -0.0669 251 ARG B N 2337 C CA . ARG B 251 ? 0.7707 1.0018 0.8994 0.2415 -0.0281 -0.0680 251 ARG B CA 2338 C C . ARG B 251 ? 0.7970 0.9782 0.9178 0.2131 -0.0326 -0.0646 251 ARG B C 2339 O O . ARG B 251 ? 0.7668 0.9511 0.8928 0.1830 -0.0339 -0.0679 251 ARG B O 2340 C CB . ARG B 251 ? 0.7803 0.9987 0.9027 0.2456 -0.0186 -0.0805 251 ARG B CB 2341 C CG . ARG B 251 ? 0.9087 1.1687 1.0354 0.2798 -0.0122 -0.0850 251 ARG B CG 2342 C CD . ARG B 251 ? 1.0207 1.2595 1.1365 0.2864 -0.0022 -0.0995 251 ARG B CD 2343 N NE . ARG B 251 ? 1.1404 1.2995 1.2330 0.3011 0.0036 -0.1049 251 ARG B NE 2344 C CZ . ARG B 251 ? 1.3486 1.4833 1.4294 0.3394 0.0113 -0.1066 251 ARG B CZ 2345 N NH1 . ARG B 251 ? 1.1975 1.3877 1.2882 0.3709 0.0128 -0.1025 251 ARG B NH1 2346 N NH2 . ARG B 251 ? 1.2124 1.2671 1.2714 0.3466 0.0185 -0.1125 251 ARG B NH2 2347 N N . LYS B 252 ? 0.7655 0.9024 0.8729 0.2246 -0.0341 -0.0565 252 LYS B N 2348 C CA . LYS B 252 ? 0.7495 0.8421 0.8491 0.2018 -0.0378 -0.0524 252 LYS B CA 2349 C C . LYS B 252 ? 0.8224 0.8426 0.9018 0.2113 -0.0310 -0.0520 252 LYS B C 2350 O O . LYS B 252 ? 0.8549 0.8540 0.9238 0.2406 -0.0241 -0.0504 252 LYS B O 2351 C CB . LYS B 252 ? 0.7696 0.8878 0.8744 0.1998 -0.0465 -0.0417 252 LYS B CB 2352 C CG . LYS B 252 ? 0.9213 1.0998 1.0457 0.1770 -0.0530 -0.0451 252 LYS B CG 2353 C CD . LYS B 252 ? 1.0437 1.2502 1.1714 0.1774 -0.0616 -0.0383 252 LYS B CD 2354 C CE . LYS B 252 ? 1.1585 1.4232 1.3057 0.1522 -0.0667 -0.0451 252 LYS B CE 2355 N NZ . LYS B 252 ? 1.2743 1.5714 1.4239 0.1524 -0.0755 -0.0422 252 LYS B NZ 2356 N N . GLY B 253 ? 0.7612 0.7445 0.8353 0.1861 -0.0321 -0.0535 253 GLY B N 2357 C CA . GLY B 253 ? 0.7833 0.7007 0.8408 0.1844 -0.0258 -0.0542 253 GLY B CA 2358 C C . GLY B 253 ? 0.8063 0.7102 0.8624 0.1666 -0.0311 -0.0448 253 GLY B C 2359 O O . GLY B 253 ? 0.7654 0.7073 0.8328 0.1531 -0.0395 -0.0415 253 GLY B O 2360 N N . LYS B 254 ? 0.7848 0.6344 0.8268 0.1654 -0.0250 -0.0412 254 LYS B N 2361 C CA . LYS B 254 ? 0.7685 0.6055 0.8080 0.1491 -0.0284 -0.0324 254 LYS B CA 2362 C C . LYS B 254 ? 0.8339 0.6181 0.8637 0.1321 -0.0208 -0.0377 254 LYS B C 2363 O O . LYS B 254 ? 0.8681 0.6094 0.8868 0.1402 -0.0103 -0.0427 254 LYS B O 2364 C CB . LYS B 254 ? 0.8096 0.6561 0.8433 0.1682 -0.0307 -0.0145 254 LYS B CB 2365 C CG . LYS B 254 ? 1.0255 0.8326 1.0418 0.1978 -0.0204 -0.0039 254 LYS B CG 2366 C CD . LYS B 254 ? 1.1560 0.9812 1.1650 0.2183 -0.0238 0.0159 254 LYS B CD 2367 C CE . LYS B 254 ? 1.3468 1.1261 1.3347 0.2507 -0.0116 0.0306 254 LYS B CE 2368 N NZ . LYS B 254 ? 1.4745 1.2796 1.4534 0.2748 -0.0156 0.0520 254 LYS B NZ 2369 N N . ILE B 255 ? 0.7637 0.5528 0.7984 0.1077 -0.0255 -0.0386 255 ILE B N 2370 C CA . ILE B 255 ? 0.7753 0.5278 0.8047 0.0876 -0.0194 -0.0450 255 ILE B CA 2371 C C . ILE B 255 ? 0.8200 0.5700 0.8479 0.0764 -0.0212 -0.0335 255 ILE B C 2372 O O . ILE B 255 ? 0.7834 0.5685 0.8182 0.0756 -0.0302 -0.0274 255 ILE B O 2373 C CB . ILE B 255 ? 0.7942 0.5612 0.8315 0.0686 -0.0219 -0.0631 255 ILE B CB 2374 C CG1 . ILE B 255 ? 0.7530 0.5643 0.8023 0.0573 -0.0326 -0.0614 255 ILE B CG1 2375 C CG2 . ILE B 255 ? 0.8176 0.5851 0.8535 0.0798 -0.0182 -0.0760 255 ILE B CG2 2376 C CD1 . ILE B 255 ? 0.8250 0.6449 0.8783 0.0371 -0.0344 -0.0726 255 ILE B CD1 2377 N N . HIS B 256 ? 0.8110 0.5197 0.8297 0.0666 -0.0115 -0.0318 256 HIS B N 2378 C CA . HIS B 256 ? 0.8058 0.5131 0.8223 0.0551 -0.0113 -0.0214 256 HIS B CA 2379 C C . HIS B 256 ? 0.8190 0.5574 0.8484 0.0331 -0.0188 -0.0312 256 HIS B C 2380 O O . HIS B 256 ? 0.8045 0.5503 0.8407 0.0223 -0.0201 -0.0465 256 HIS B O 2381 C CB . HIS B 256 ? 0.8646 0.5188 0.8678 0.0485 0.0037 -0.0163 256 HIS B CB 2382 C CG . HIS B 256 ? 0.9484 0.5726 0.9345 0.0730 0.0116 0.0036 256 HIS B CG 2383 N ND1 . HIS B 256 ? 0.9570 0.6107 0.9399 0.0907 0.0042 0.0206 256 HIS B ND1 2384 C CD2 . HIS B 256 ? 1.0282 0.5955 0.9981 0.0828 0.0269 0.0089 256 HIS B CD2 2385 C CE1 . HIS B 256 ? 0.9970 0.6163 0.9619 0.1134 0.0142 0.0375 256 HIS B CE1 2386 N NE2 . HIS B 256 ? 1.0476 0.6102 1.0035 0.1103 0.0289 0.0323 256 HIS B NE2 2387 N N . ILE B 257 ? 0.7585 0.5171 0.7898 0.0292 -0.0237 -0.0225 257 ILE B N 2388 C CA . ILE B 257 ? 0.7248 0.5121 0.7665 0.0137 -0.0301 -0.0296 257 ILE B CA 2389 C C . ILE B 257 ? 0.7841 0.5663 0.8244 -0.0010 -0.0251 -0.0264 257 ILE B C 2390 O O . ILE B 257 ? 0.8007 0.5660 0.8310 0.0033 -0.0193 -0.0137 257 ILE B O 2391 C CB . ILE B 257 ? 0.7310 0.5535 0.7790 0.0206 -0.0407 -0.0277 257 ILE B CB 2392 C CG1 . ILE B 257 ? 0.7386 0.5684 0.7802 0.0312 -0.0429 -0.0153 257 ILE B CG1 2393 C CG2 . ILE B 257 ? 0.7305 0.5649 0.7835 0.0283 -0.0443 -0.0340 257 ILE B CG2 2394 C CD1 . ILE B 257 ? 0.8072 0.6675 0.8542 0.0285 -0.0510 -0.0169 257 ILE B CD1 2395 N N . PRO B 258 ? 0.7265 0.5275 0.7760 -0.0167 -0.0270 -0.0367 258 PRO B N 2396 C CA . PRO B 258 ? 0.7303 0.5345 0.7806 -0.0305 -0.0218 -0.0344 258 PRO B CA 2397 C C . PRO B 258 ? 0.7618 0.5879 0.8110 -0.0240 -0.0267 -0.0252 258 PRO B C 2398 O O . PRO B 258 ? 0.7376 0.5768 0.7868 -0.0117 -0.0346 -0.0230 258 PRO B O 2399 C CB . PRO B 258 ? 0.7409 0.5676 0.8026 -0.0456 -0.0235 -0.0499 258 PRO B CB 2400 C CG . PRO B 258 ? 0.7733 0.6190 0.8391 -0.0352 -0.0331 -0.0550 258 PRO B CG 2401 C CD . PRO B 258 ? 0.7252 0.5499 0.7841 -0.0207 -0.0333 -0.0496 258 PRO B CD 2402 N N . PHE B 259 ? 0.7268 0.5580 0.7755 -0.0340 -0.0209 -0.0215 259 PHE B N 2403 C CA . PHE B 259 ? 0.7126 0.5655 0.7592 -0.0297 -0.0233 -0.0152 259 PHE B CA 2404 C C . PHE B 259 ? 0.7695 0.6184 0.8040 -0.0137 -0.0260 -0.0035 259 PHE B C 2405 O O . PHE B 259 ? 0.7431 0.6122 0.7788 -0.0059 -0.0341 -0.0063 259 PHE B O 2406 C CB . PHE B 259 ? 0.7057 0.5905 0.7626 -0.0288 -0.0312 -0.0247 259 PHE B CB 2407 C CG . PHE B 259 ? 0.7169 0.6152 0.7849 -0.0381 -0.0323 -0.0365 259 PHE B CG 2408 C CD1 . PHE B 259 ? 0.7650 0.6741 0.8396 -0.0544 -0.0258 -0.0418 259 PHE B CD1 2409 C CD2 . PHE B 259 ? 0.7279 0.6338 0.7998 -0.0312 -0.0396 -0.0424 259 PHE B CD2 2410 C CE1 . PHE B 259 ? 0.7700 0.7013 0.8550 -0.0627 -0.0281 -0.0546 259 PHE B CE1 2411 C CE2 . PHE B 259 ? 0.7582 0.6830 0.8383 -0.0374 -0.0413 -0.0525 259 PHE B CE2 2412 C CZ . PHE B 259 ? 0.7425 0.6823 0.8292 -0.0526 -0.0363 -0.0594 259 PHE B CZ 2413 N N . PRO B 260 ? 0.7600 0.5846 0.7818 -0.0083 -0.0188 0.0095 260 PRO B N 2414 C CA . PRO B 260 ? 0.7628 0.5947 0.7726 0.0089 -0.0227 0.0204 260 PRO B CA 2415 C C . PRO B 260 ? 0.8073 0.6609 0.8106 0.0084 -0.0218 0.0252 260 PRO B C 2416 O O . PRO B 260 ? 0.8053 0.6610 0.8109 -0.0045 -0.0145 0.0251 260 PRO B O 2417 C CB . PRO B 260 ? 0.8238 0.6215 0.8200 0.0182 -0.0138 0.0348 260 PRO B CB 2418 C CG . PRO B 260 ? 0.8970 0.6634 0.8985 0.0030 -0.0045 0.0284 260 PRO B CG 2419 C CD . PRO B 260 ? 0.8166 0.6052 0.8324 -0.0167 -0.0059 0.0151 260 PRO B CD 2420 N N . LEU B 261 ? 0.7574 0.6318 0.7531 0.0216 -0.0291 0.0276 261 LEU B N 2421 C CA . LEU B 261 ? 0.7556 0.6535 0.7426 0.0233 -0.0289 0.0298 261 LEU B CA 2422 C C . LEU B 261 ? 0.8423 0.7296 0.8113 0.0281 -0.0182 0.0497 261 LEU B C 2423 O O . LEU B 261 ? 0.8615 0.7314 0.8196 0.0403 -0.0158 0.0631 261 LEU B O 2424 C CB . LEU B 261 ? 0.7417 0.6676 0.7269 0.0330 -0.0404 0.0212 261 LEU B CB 2425 C CG . LEU B 261 ? 0.7997 0.7524 0.7769 0.0338 -0.0416 0.0161 261 LEU B CG 2426 C CD1 . LEU B 261 ? 0.7830 0.7401 0.7717 0.0241 -0.0418 0.0011 261 LEU B CD1 2427 C CD2 . LEU B 261 ? 0.8287 0.8075 0.7996 0.0431 -0.0513 0.0094 261 LEU B CD2 2428 N N . ALA B 262 ? 0.8062 0.7043 0.7710 0.0200 -0.0107 0.0528 262 ALA B N 2429 C CA . ALA B 262 ? 0.8409 0.7306 0.7873 0.0220 0.0020 0.0732 262 ALA B CA 2430 C C . ALA B 262 ? 0.8893 0.8115 0.8306 0.0186 0.0049 0.0717 262 ALA B C 2431 O O . ALA B 262 ? 0.8565 0.7985 0.8120 0.0105 0.0010 0.0548 262 ALA B O 2432 C CB . ALA B 262 ? 0.8757 0.7269 0.8248 0.0067 0.0166 0.0814 262 ALA B CB 2433 N N . ASN B 263 ? 0.8796 0.8078 0.7992 0.0272 0.0128 0.0902 263 ASN B N 2434 C CA . ASN B 263 ? 0.8819 0.8431 0.7931 0.0259 0.0173 0.0904 263 ASN B CA 2435 C C . ASN B 263 ? 0.9423 0.8979 0.8620 0.0052 0.0324 0.0937 263 ASN B C 2436 O O . ASN B 263 ? 0.9659 0.8883 0.8822 -0.0049 0.0459 0.1092 263 ASN B O 2437 C CB . ASN B 263 ? 0.9284 0.9015 0.8113 0.0428 0.0214 0.1111 263 ASN B CB 2438 C CG . ASN B 263 ? 1.2309 1.2130 1.1031 0.0641 0.0086 0.1130 263 ASN B CG 2439 O OD1 . ASN B 263 ? 1.1299 1.1441 1.0059 0.0701 -0.0056 0.0939 263 ASN B OD1 2440 N ND2 . ASN B 263 ? 1.1713 1.1261 1.0290 0.0763 0.0147 0.1361 263 ASN B ND2 2441 N N . VAL B 264 ? 0.8799 0.8690 0.8105 -0.0011 0.0312 0.0783 264 VAL B N 2442 C CA . VAL B 264 ? 0.8821 0.8832 0.8240 -0.0200 0.0441 0.0777 264 VAL B CA 2443 C C . VAL B 264 ? 0.9364 0.9817 0.8702 -0.0142 0.0474 0.0748 264 VAL B C 2444 O O . VAL B 264 ? 0.9350 0.9951 0.8505 0.0029 0.0416 0.0761 264 VAL B O 2445 C CB . VAL B 264 ? 0.9022 0.9040 0.8717 -0.0333 0.0394 0.0589 264 VAL B CB 2446 C CG1 . VAL B 264 ? 0.9073 0.8670 0.8834 -0.0433 0.0406 0.0620 264 VAL B CG1 2447 C CG2 . VAL B 264 ? 0.8652 0.8866 0.8435 -0.0201 0.0237 0.0383 264 VAL B CG2 2448 N N . THR B 265 ? 0.8946 0.9654 0.8421 -0.0281 0.0567 0.0693 265 THR B N 2449 C CA . THR B 265 ? 0.8955 1.0116 0.8377 -0.0222 0.0612 0.0645 265 THR B CA 2450 C C . THR B 265 ? 0.9178 1.0625 0.8812 -0.0195 0.0542 0.0407 265 THR B C 2451 O O . THR B 265 ? 0.8985 1.0418 0.8838 -0.0322 0.0542 0.0341 265 THR B O 2452 C CB . THR B 265 ? 1.0350 1.1635 0.9682 -0.0361 0.0819 0.0844 265 THR B CB 2453 O OG1 . THR B 265 ? 1.0345 1.2113 0.9612 -0.0274 0.0858 0.0787 265 THR B OG1 2454 C CG2 . THR B 265 ? 1.0239 1.1466 0.9789 -0.0642 0.0942 0.0860 265 THR B CG2 2455 N N . CYS B 266 ? 0.8714 1.0412 0.8266 -0.0015 0.0482 0.0276 266 CYS B N 2456 C CA . CYS B 266 ? 0.8506 1.0436 0.8204 0.0075 0.0432 0.0065 266 CYS B CA 2457 C C . CYS B 266 ? 0.9194 1.1601 0.8863 0.0115 0.0547 0.0042 266 CYS B C 2458 O O . CYS B 266 ? 0.9320 1.1862 0.8774 0.0200 0.0585 0.0079 266 CYS B O 2459 C CB . CYS B 266 ? 0.8431 1.0191 0.8059 0.0249 0.0289 -0.0099 266 CYS B CB 2460 S SG . CYS B 266 ? 0.8709 1.0026 0.8462 0.0210 0.0157 -0.0131 266 CYS B SG 2461 N N . ARG B 267 ? 0.8735 1.1452 0.8617 0.0060 0.0604 -0.0018 267 ARG B N 2462 C CA . ARG B 267 ? 0.8840 1.2087 0.8733 0.0107 0.0720 -0.0050 267 ARG B CA 2463 C C . ARG B 267 ? 0.9379 1.2748 0.9212 0.0382 0.0654 -0.0257 267 ARG B C 2464 O O . ARG B 267 ? 0.9159 1.2405 0.9110 0.0488 0.0564 -0.0385 267 ARG B O 2465 C CB . ARG B 267 ? 0.8805 1.2424 0.8969 -0.0060 0.0808 -0.0045 267 ARG B CB 2466 C CG . ARG B 267 ? 1.0271 1.3763 1.0502 -0.0379 0.0912 0.0129 267 ARG B CG 2467 C CD . ARG B 267 ? 1.1879 1.5565 1.1970 -0.0503 0.1094 0.0303 267 ARG B CD 2468 N NE . ARG B 267 ? 1.3151 1.6818 1.3372 -0.0842 0.1238 0.0429 267 ARG B NE 2469 C CZ . ARG B 267 ? 1.5164 1.8294 1.5295 -0.1012 0.1280 0.0589 267 ARG B CZ 2470 N NH1 . ARG B 267 ? 1.3583 1.6220 1.3506 -0.0856 0.1175 0.0654 267 ARG B NH1 2471 N NH2 . ARG B 267 ? 1.3708 1.6797 1.3958 -0.1340 0.1433 0.0673 267 ARG B NH2 2472 N N . VAL B 268 ? 0.9225 1.2804 0.8852 0.0504 0.0709 -0.0288 268 VAL B N 2473 C CA . VAL B 268 ? 0.9312 1.2972 0.8842 0.0762 0.0673 -0.0508 268 VAL B CA 2474 C C . VAL B 268 ? 1.0067 1.4306 0.9590 0.0862 0.0810 -0.0554 268 VAL B C 2475 O O . VAL B 268 ? 1.0137 1.4663 0.9573 0.0753 0.0923 -0.0413 268 VAL B O 2476 C CB . VAL B 268 ? 0.9932 1.3281 0.9206 0.0855 0.0583 -0.0599 268 VAL B CB 2477 C CG1 . VAL B 268 ? 0.9750 1.2586 0.9075 0.0800 0.0444 -0.0609 268 VAL B CG1 2478 C CG2 . VAL B 268 ? 1.0106 1.3617 0.9152 0.0794 0.0643 -0.0456 268 VAL B CG2 2479 N N . PRO B 269 ? 0.7582 1.1598 0.9006 0.2192 0.0479 -0.2565 269 PRO B N 2480 C CA . PRO B 269 ? 0.7679 1.1623 0.9134 0.2215 0.0538 -0.2663 269 PRO B CA 2481 C C . PRO B 269 ? 0.8449 1.1869 0.9619 0.2043 0.0603 -0.2414 269 PRO B C 2482 O O . PRO B 269 ? 0.8506 1.1615 0.9336 0.1984 0.0578 -0.2167 269 PRO B O 2483 C CB . PRO B 269 ? 0.8074 1.2199 0.9267 0.2508 0.0454 -0.2752 269 PRO B CB 2484 C CG . PRO B 269 ? 0.8775 1.2777 0.9570 0.2591 0.0394 -0.2529 269 PRO B CG 2485 C CD . PRO B 269 ? 0.7999 1.2037 0.9009 0.2408 0.0400 -0.2473 269 PRO B CD 2486 N N . LYS B 270 ? 0.8125 1.1469 0.9460 0.1967 0.0699 -0.2505 270 LYS B N 2487 C CA . LYS B 270 ? 0.8297 1.1203 0.9379 0.1832 0.0762 -0.2306 270 LYS B CA 2488 C C . LYS B 270 ? 0.9087 1.1935 0.9924 0.1961 0.0737 -0.2339 270 LYS B C 2489 O O . LYS B 270 ? 0.9000 1.2107 1.0058 0.2062 0.0754 -0.2594 270 LYS B O 2490 C CB . LYS B 270 ? 0.8560 1.1380 0.9952 0.1664 0.0912 -0.2359 270 LYS B CB 2491 C CG . LYS B 270 ? 1.0294 1.3015 1.1810 0.1522 0.0940 -0.2237 270 LYS B CG 2492 C CD . LYS B 270 ? 1.1640 1.4200 1.3392 0.1389 0.1121 -0.2247 270 LYS B CD 2493 C CE . LYS B 270 ? 1.3010 1.5431 1.4836 0.1277 0.1143 -0.2108 270 LYS B CE 2494 N NZ . LYS B 270 ? 1.4253 1.6454 1.6243 0.1179 0.1348 -0.2078 270 LYS B NZ 2495 N N . ALA B 271 ? 0.8944 1.1474 0.9359 0.1965 0.0697 -0.2109 271 ALA B N 2496 C CA . ALA B 271 ? 0.9154 1.1581 0.9313 0.2081 0.0671 -0.2104 271 ALA B CA 2497 C C . ALA B 271 ? 0.9784 1.2158 1.0087 0.1995 0.0753 -0.2220 271 ALA B C 2498 O O . ALA B 271 ? 0.9692 1.1906 1.0096 0.1816 0.0845 -0.2155 271 ALA B O 2499 C CB . ALA B 271 ? 0.9410 1.1483 0.9187 0.2052 0.0655 -0.1840 271 ALA B CB 2500 N N . ARG B 272 ? 0.9525 1.2042 0.9837 0.2136 0.0726 -0.2404 272 ARG B N 2501 C CA . ARG B 272 ? 0.9562 1.2054 1.0032 0.2057 0.0813 -0.2557 272 ARG B CA 2502 C C . ARG B 272 ? 1.0295 1.2406 1.0527 0.1900 0.0865 -0.2337 272 ARG B C 2503 O O . ARG B 272 ? 1.0334 1.2244 1.0247 0.1928 0.0798 -0.2139 272 ARG B O 2504 C CB . ARG B 272 ? 0.9649 1.2397 1.0186 0.2256 0.0752 -0.2837 272 ARG B CB 2505 C CG . ARG B 272 ? 1.1183 1.3818 1.1318 0.2437 0.0632 -0.2723 272 ARG B CG 2506 C CD . ARG B 272 ? 1.2545 1.5455 1.2765 0.2653 0.0562 -0.3034 272 ARG B CD 2507 N NE . ARG B 272 ? 1.3996 1.6735 1.3827 0.2819 0.0470 -0.2914 272 ARG B NE 2508 C CZ . ARG B 272 ? 1.6076 1.8973 1.5885 0.3022 0.0389 -0.3142 272 ARG B CZ 2509 N NH1 . ARG B 272 ? 1.4417 1.7677 1.4596 0.3081 0.0387 -0.3537 272 ARG B NH1 2510 N NH2 . ARG B 272 ? 1.4751 1.7448 1.4197 0.3171 0.0320 -0.2996 272 ARG B NH2 2511 N N . ASN B 273 ? 0.9978 1.1996 1.0382 0.1741 0.1003 -0.2377 273 ASN B N 2512 C CA . ASN B 273 ? 1.0130 1.1835 1.0328 0.1608 0.1064 -0.2196 273 ASN B CA 2513 C C . ASN B 273 ? 1.0866 1.2497 1.0854 0.1664 0.1000 -0.2204 273 ASN B C 2514 O O . ASN B 273 ? 1.0809 1.2595 1.0929 0.1729 0.1002 -0.2431 273 ASN B O 2515 C CB . ASN B 273 ? 1.0288 1.1920 1.0700 0.1470 0.1255 -0.2259 273 ASN B CB 2516 C CG . ASN B 273 ? 1.3222 1.4847 1.3814 0.1401 0.1337 -0.2198 273 ASN B CG 2517 O OD1 . ASN B 273 ? 1.2498 1.4005 1.2916 0.1382 0.1269 -0.1991 273 ASN B OD1 2518 N ND2 . ASN B 273 ? 1.2197 1.3946 1.3174 0.1357 0.1499 -0.2397 273 ASN B ND2 2519 N N . PRO B 274 ? 1.0637 1.2056 1.0333 0.1647 0.0938 -0.1988 274 PRO B N 2520 C CA . PRO B 274 ? 1.0757 1.2110 1.0294 0.1699 0.0883 -0.1997 274 PRO B CA 2521 C C . PRO B 274 ? 1.1445 1.2745 1.1031 0.1597 0.0965 -0.2083 274 PRO B C 2522 O O . PRO B 274 ? 1.1406 1.2619 1.1041 0.1476 0.1079 -0.2043 274 PRO B O 2523 C CB . PRO B 274 ? 1.1025 1.2182 1.0331 0.1684 0.0835 -0.1767 274 PRO B CB 2524 C CG . PRO B 274 ? 1.1523 1.2603 1.0847 0.1575 0.0882 -0.1651 274 PRO B CG 2525 C CD . PRO B 274 ? 1.0852 1.2104 1.0398 0.1584 0.0921 -0.1763 274 PRO B CD 2526 N N . THR B 275 ? 1.1183 1.2523 1.0739 0.1659 0.0913 -0.2199 275 THR B N 2527 C CA . THR B 275 ? 1.1269 1.2575 1.0867 0.1565 0.0981 -0.2302 275 THR B CA 2528 C C . THR B 275 ? 1.1947 1.3060 1.1351 0.1469 0.0992 -0.2095 275 THR B C 2529 O O . THR B 275 ? 1.1910 1.2960 1.1177 0.1516 0.0902 -0.1987 275 THR B O 2530 C CB . THR B 275 ? 1.2372 1.3805 1.2018 0.1671 0.0901 -0.2512 275 THR B CB 2531 O OG1 . THR B 275 ? 1.2408 1.3795 1.1867 0.1810 0.0774 -0.2397 275 THR B OG1 2532 C CG2 . THR B 275 ? 1.2153 1.3833 1.2059 0.1756 0.0916 -0.2811 275 THR B CG2 2533 N N . VAL B 276 ? 1.1664 1.2688 1.1065 0.1353 0.1116 -0.2044 276 VAL B N 2534 C CA . VAL B 276 ? 1.1768 1.2655 1.0978 0.1295 0.1126 -0.1872 276 VAL B CA 2535 C C . VAL B 276 ? 1.2429 1.3307 1.1593 0.1238 0.1164 -0.1938 276 VAL B C 2536 O O . VAL B 276 ? 1.2432 1.3325 1.1695 0.1180 0.1282 -0.2070 276 VAL B O 2537 C CB . VAL B 276 ? 1.2334 1.3111 1.1478 0.1259 0.1209 -0.1723 276 VAL B CB 2538 C CG1 . VAL B 276 ? 1.2426 1.3146 1.1662 0.1190 0.1404 -0.1783 276 VAL B CG1 2539 C CG2 . VAL B 276 ? 1.2387 1.3074 1.1316 0.1265 0.1161 -0.1561 276 VAL B CG2 2540 N N . THR B 277 ? 1.2061 1.2934 1.1115 0.1253 0.1072 -0.1868 277 THR B N 2541 C CA . THR B 277 ? 1.2121 1.3028 1.1139 0.1207 0.1081 -0.1925 277 THR B CA 2542 C C . THR B 277 ? 1.2752 1.3630 1.1609 0.1215 0.1062 -0.1787 277 THR B C 2543 O O . THR B 277 ? 1.2644 1.3510 1.1480 0.1262 0.0983 -0.1700 277 THR B O 2544 C CB . THR B 277 ? 1.3076 1.4075 1.2200 0.1239 0.0977 -0.2050 277 THR B CB 2545 O OG1 . THR B 277 ? 1.2981 1.3953 1.2096 0.1320 0.0880 -0.1962 277 THR B OG1 2546 C CG2 . THR B 277 ? 1.2882 1.3954 1.2153 0.1248 0.0994 -0.2252 277 THR B CG2 2547 N N . TYR B 278 ? 1.2513 1.3391 1.1258 0.1182 0.1142 -0.1786 278 TYR B N 2548 C CA . TYR B 278 ? 1.2622 1.3519 1.1190 0.1231 0.1120 -0.1688 278 TYR B CA 2549 C C . TYR B 278 ? 1.3113 1.4180 1.1715 0.1234 0.1049 -0.1783 278 TYR B C 2550 O O . TYR B 278 ? 1.3010 1.4145 1.1722 0.1174 0.1060 -0.1909 278 TYR B O 2551 C CB . TYR B 278 ? 1.3038 1.3802 1.1385 0.1247 0.1271 -0.1580 278 TYR B CB 2552 C CG . TYR B 278 ? 1.3311 1.3917 1.1684 0.1231 0.1371 -0.1508 278 TYR B CG 2553 C CD1 . TYR B 278 ? 1.3656 1.4168 1.2111 0.1159 0.1551 -0.1567 278 TYR B CD1 2554 C CD2 . TYR B 278 ? 1.3350 1.3917 1.1712 0.1281 0.1298 -0.1408 278 TYR B CD2 2555 C CE1 . TYR B 278 ? 1.3781 1.4182 1.2333 0.1142 0.1658 -0.1534 278 TYR B CE1 2556 C CE2 . TYR B 278 ? 1.3478 1.3934 1.1906 0.1263 0.1386 -0.1359 278 TYR B CE2 2557 C CZ . TYR B 278 ? 1.4494 1.4876 1.3031 0.1196 0.1567 -0.1423 278 TYR B CZ 2558 O OH . TYR B 278 ? 1.4603 1.4909 1.3276 0.1177 0.1667 -0.1406 278 TYR B OH 2559 N N . GLY B 279 ? 1.2725 1.3884 1.1264 0.1309 0.0975 -0.1750 279 GLY B N 2560 C CA . GLY B 279 ? 1.2672 1.4049 1.1286 0.1332 0.0904 -0.1862 279 GLY B CA 2561 C C . GLY B 279 ? 1.3330 1.4811 1.1757 0.1452 0.0879 -0.1829 279 GLY B C 2562 O O . GLY B 279 ? 1.3435 1.4781 1.1645 0.1519 0.0919 -0.1699 279 GLY B O 2563 N N . LYS B 280 ? 1.2866 1.4612 1.1390 0.1498 0.0808 -0.1966 280 LYS B N 2564 C CA . LYS B 280 ? 1.2996 1.4928 1.1364 0.1654 0.0758 -0.1996 280 LYS B CA 2565 C C . LYS B 280 ? 1.3431 1.5360 1.1862 0.1731 0.0681 -0.1994 280 LYS B C 2566 O O . LYS B 280 ? 1.3162 1.5203 1.1919 0.1699 0.0619 -0.2123 280 LYS B O 2567 C CB . LYS B 280 ? 1.3242 1.5525 1.1790 0.1682 0.0691 -0.2199 280 LYS B CB 2568 C CG . LYS B 280 ? 1.5344 1.7858 1.3640 0.1876 0.0659 -0.2239 280 LYS B CG 2569 C CD . LYS B 280 ? 1.6550 1.9370 1.5063 0.2008 0.0527 -0.2429 280 LYS B CD 2570 C CE . LYS B 280 ? 1.7773 2.0990 1.6683 0.1993 0.0457 -0.2699 280 LYS B CE 2571 N NZ . LYS B 280 ? 1.9133 2.2635 1.7841 0.2118 0.0443 -0.2774 280 LYS B NZ 2572 N N . ASN B 281 ? 1.3210 1.4985 1.1339 0.1828 0.0707 -0.1849 281 ASN B N 2573 C CA . ASN B 281 ? 1.3181 1.4927 1.1318 0.1907 0.0638 -0.1841 281 ASN B CA 2574 C C . ASN B 281 ? 1.3411 1.5015 1.1821 0.1774 0.0634 -0.1833 281 ASN B C 2575 O O . ASN B 281 ? 1.3282 1.4935 1.1839 0.1807 0.0573 -0.1909 281 ASN B O 2576 C CB . ASN B 281 ? 1.3354 1.5428 1.1553 0.2075 0.0521 -0.2039 281 ASN B CB 2577 C CG . ASN B 281 ? 1.6763 1.8946 1.4572 0.2280 0.0514 -0.2008 281 ASN B CG 2578 O OD1 . ASN B 281 ? 1.6371 1.8368 1.3825 0.2395 0.0546 -0.1843 281 ASN B OD1 2579 N ND2 . ASN B 281 ? 1.5762 1.8256 1.3627 0.2348 0.0477 -0.2167 281 ASN B ND2 2580 N N . GLN B 282 ? 1.2861 1.4297 1.1332 0.1639 0.0706 -0.1754 282 GLN B N 2581 C CA . GLN B 282 ? 1.2650 1.3949 1.1318 0.1546 0.0712 -0.1728 282 GLN B CA 2582 C C . GLN B 282 ? 1.3083 1.4187 1.1682 0.1467 0.0789 -0.1614 282 GLN B C 2583 O O . GLN B 282 ? 1.3105 1.4194 1.1611 0.1437 0.0853 -0.1606 282 GLN B O 2584 C CB . GLN B 282 ? 1.2654 1.4065 1.1640 0.1501 0.0686 -0.1867 282 GLN B CB 2585 C CG . GLN B 282 ? 1.4620 1.6123 1.3686 0.1450 0.0701 -0.1939 282 GLN B CG 2586 C CD . GLN B 282 ? 1.7001 1.8521 1.6374 0.1402 0.0700 -0.2029 282 GLN B CD 2587 O OE1 . GLN B 282 ? 1.6372 1.7956 1.5969 0.1421 0.0696 -0.2116 282 GLN B OE1 2588 N NE2 . GLN B 282 ? 1.6025 1.7486 1.5429 0.1348 0.0717 -0.2026 282 GLN B NE2 2589 N N . VAL B 283 ? 1.2514 1.3492 1.1185 0.1437 0.0789 -0.1554 283 VAL B N 2590 C CA . VAL B 283 ? 1.2436 1.3289 1.1103 0.1387 0.0846 -0.1493 283 VAL B CA 2591 C C . VAL B 283 ? 1.2723 1.3554 1.1560 0.1370 0.0820 -0.1527 283 VAL B C 2592 O O . VAL B 283 ? 1.2621 1.3438 1.1547 0.1389 0.0790 -0.1526 283 VAL B O 2593 C CB . VAL B 283 ? 1.3000 1.3741 1.1552 0.1401 0.0884 -0.1382 283 VAL B CB 2594 C CG1 . VAL B 283 ? 1.2898 1.3612 1.1510 0.1421 0.0822 -0.1352 283 VAL B CG1 2595 C CG2 . VAL B 283 ? 1.2971 1.3642 1.1562 0.1352 0.0971 -0.1370 283 VAL B CG2 2596 N N . ILE B 284 ? 1.2200 1.3027 1.1080 0.1349 0.0844 -0.1572 284 ILE B N 2597 C CA . ILE B 284 ? 1.2086 1.2887 1.1066 0.1382 0.0817 -0.1601 284 ILE B CA 2598 C C . ILE B 284 ? 1.2455 1.3230 1.1425 0.1408 0.0835 -0.1593 284 ILE B C 2599 O O . ILE B 284 ? 1.2409 1.3225 1.1392 0.1378 0.0879 -0.1660 284 ILE B O 2600 C CB . ILE B 284 ? 1.2476 1.3345 1.1546 0.1377 0.0798 -0.1711 284 ILE B CB 2601 C CG1 . ILE B 284 ? 1.2523 1.3476 1.1667 0.1354 0.0782 -0.1753 284 ILE B CG1 2602 C CG2 . ILE B 284 ? 1.2581 1.3391 1.1705 0.1454 0.0773 -0.1722 284 ILE B CG2 2603 C CD1 . ILE B 284 ? 1.3487 1.4563 1.2589 0.1308 0.0792 -0.1826 284 ILE B CD1 2604 N N . MET B 285 ? 1.1922 1.2643 1.0892 0.1468 0.0814 -0.1530 285 MET B N 2605 C CA . MET B 285 ? 1.1832 1.2583 1.0814 0.1520 0.0815 -0.1542 285 MET B CA 2606 C C . MET B 285 ? 1.2250 1.2995 1.1217 0.1646 0.0777 -0.1562 285 MET B C 2607 O O . MET B 285 ? 1.2259 1.2893 1.1181 0.1690 0.0781 -0.1475 285 MET B O 2608 C CB . MET B 285 ? 1.2097 1.2814 1.1059 0.1503 0.0823 -0.1445 285 MET B CB 2609 C CG . MET B 285 ? 1.2564 1.3274 1.1509 0.1423 0.0865 -0.1417 285 MET B CG 2610 S SD . MET B 285 ? 1.3068 1.3731 1.1996 0.1411 0.0850 -0.1313 285 MET B SD 2611 C CE . MET B 285 ? 1.2684 1.3285 1.1563 0.1410 0.0808 -0.1283 285 MET B CE 2612 N N . LEU B 286 ? 1.1719 1.2578 1.0728 0.1721 0.0756 -0.1689 286 LEU B N 2613 C CA . LEU B 286 ? 1.1745 1.2626 1.0695 0.1897 0.0706 -0.1725 286 LEU B CA 2614 C C . LEU B 286 ? 1.2079 1.3046 1.1020 0.1985 0.0696 -0.1713 286 LEU B C 2615 O O . LEU B 286 ? 1.1944 1.3095 1.1015 0.1996 0.0691 -0.1863 286 LEU B O 2616 C CB . LEU B 286 ? 1.1773 1.2781 1.0792 0.1956 0.0666 -0.1929 286 LEU B CB 2617 C CG . LEU B 286 ? 1.2407 1.3357 1.1443 0.1898 0.0659 -0.1961 286 LEU B CG 2618 C CD1 . LEU B 286 ? 1.2380 1.3481 1.1550 0.1853 0.0652 -0.2191 286 LEU B CD1 2619 C CD2 . LEU B 286 ? 1.2889 1.3724 1.1820 0.2049 0.0622 -0.1900 286 LEU B CD2 2620 N N . LEU B 287 ? 1.1605 1.2449 1.0430 0.2034 0.0710 -0.1553 287 LEU B N 2621 C CA . LEU B 287 ? 1.1512 1.2441 1.0319 0.2110 0.0701 -0.1525 287 LEU B CA 2622 C C . LEU B 287 ? 1.2036 1.3064 1.0728 0.2359 0.0651 -0.1582 287 LEU B C 2623 O O . LEU B 287 ? 1.2187 1.3058 1.0697 0.2492 0.0660 -0.1497 287 LEU B O 2624 C CB . LEU B 287 ? 1.1537 1.2294 1.0279 0.2040 0.0750 -0.1347 287 LEU B CB 2625 C CG . LEU B 287 ? 1.2013 1.2688 1.0839 0.1842 0.0781 -0.1303 287 LEU B CG 2626 C CD1 . LEU B 287 ? 1.2098 1.2600 1.0878 0.1806 0.0831 -0.1182 287 LEU B CD1 2627 C CD2 . LEU B 287 ? 1.2152 1.2960 1.1102 0.1747 0.0771 -0.1357 287 LEU B CD2 2628 N N . TYR B 288 ? 1.1436 1.2733 1.0242 0.2440 0.0606 -0.1738 288 TYR B N 2629 C CA . TYR B 288 ? 1.1516 1.2998 1.0226 0.2718 0.0536 -0.1844 288 TYR B CA 2630 C C . TYR B 288 ? 1.1856 1.3501 1.0589 0.2783 0.0528 -0.1827 288 TYR B C 2631 O O . TYR B 288 ? 1.1632 1.3593 1.0608 0.2801 0.0493 -0.2037 288 TYR B O 2632 C CB . TYR B 288 ? 1.1606 1.3358 1.0500 0.2794 0.0474 -0.2147 288 TYR B CB 2633 C CG . TYR B 288 ? 1.1912 1.3538 1.0767 0.2770 0.0463 -0.2190 288 TYR B CG 2634 C CD1 . TYR B 288 ? 1.2015 1.3576 1.1041 0.2523 0.0520 -0.2226 288 TYR B CD1 2635 C CD2 . TYR B 288 ? 1.2254 1.3838 1.0896 0.3014 0.0397 -0.2207 288 TYR B CD2 2636 C CE1 . TYR B 288 ? 1.2182 1.3663 1.1196 0.2495 0.0506 -0.2285 288 TYR B CE1 2637 C CE2 . TYR B 288 ? 1.2425 1.3915 1.1067 0.2988 0.0379 -0.2267 288 TYR B CE2 2638 C CZ . TYR B 288 ? 1.3197 1.4651 1.2042 0.2716 0.0430 -0.2315 288 TYR B CZ 2639 O OH . TYR B 288 ? 1.3364 1.4753 1.2227 0.2683 0.0408 -0.2389 288 TYR B OH 2640 N N . PRO B 289 ? 1.1478 1.2925 1.0004 0.2809 0.0575 -0.1602 289 PRO B N 2641 C CA . PRO B 289 ? 1.1362 1.2982 0.9920 0.2860 0.0564 -0.1596 289 PRO B CA 2642 C C . PRO B 289 ? 1.1965 1.3801 1.0346 0.3198 0.0500 -0.1672 289 PRO B C 2643 O O . PRO B 289 ? 1.2220 1.3905 1.0301 0.3416 0.0503 -0.1592 289 PRO B O 2644 C CB . PRO B 289 ? 1.1657 1.2959 1.0086 0.2724 0.0658 -0.1348 289 PRO B CB 2645 C CG . PRO B 289 ? 1.2454 1.3429 1.0691 0.2740 0.0723 -0.1216 289 PRO B CG 2646 C CD . PRO B 289 ? 1.1875 1.2943 1.0174 0.2783 0.0659 -0.1368 289 PRO B CD 2647 N N . ASP B 290 ? 1.1302 1.3503 0.9872 0.3258 0.0446 -0.1831 290 ASP B N 2648 C CA . ASP B 290 ? 1.1411 1.3915 0.9846 0.3603 0.0368 -0.1946 290 ASP B CA 2649 C C . ASP B 290 ? 1.1996 1.4357 1.0151 0.3684 0.0427 -0.1710 290 ASP B C 2650 O O . ASP B 290 ? 1.2210 1.4702 1.0095 0.4011 0.0393 -0.1709 290 ASP B O 2651 C CB . ASP B 290 ? 1.1345 1.4379 1.0209 0.3624 0.0288 -0.2291 290 ASP B CB 2652 C CG . ASP B 290 ? 1.2417 1.5586 1.1609 0.3521 0.0274 -0.2553 290 ASP B CG 2653 O OD1 . ASP B 290 ? 1.2186 1.5405 1.1749 0.3251 0.0333 -0.2632 290 ASP B OD1 2654 O OD2 . ASP B 290 ? 1.3338 1.6544 1.2408 0.3715 0.0216 -0.2676 290 ASP B OD2 2655 N N . HIS B 291 ? 1.1370 1.3467 0.9585 0.3397 0.0520 -0.1524 291 HIS B N 2656 C CA . HIS B 291 ? 1.1453 1.3372 0.9479 0.3385 0.0607 -0.1317 291 HIS B CA 2657 C C . HIS B 291 ? 1.1775 1.3296 0.9856 0.3062 0.0717 -0.1140 291 HIS B C 2658 O O . HIS B 291 ? 1.1504 1.2989 0.9799 0.2862 0.0695 -0.1204 291 HIS B O 2659 C CB . HIS B 291 ? 1.1313 1.3645 0.9575 0.3389 0.0539 -0.1462 291 HIS B CB 2660 C CG . HIS B 291 ? 1.1305 1.3868 1.0046 0.3134 0.0486 -0.1649 291 HIS B CG 2661 N ND1 . HIS B 291 ? 1.1337 1.4314 1.0383 0.3216 0.0399 -0.1941 291 HIS B ND1 2662 C CD2 . HIS B 291 ? 1.1291 1.3705 1.0246 0.2821 0.0527 -0.1586 291 HIS B CD2 2663 C CE1 . HIS B 291 ? 1.0940 1.3968 1.0367 0.2942 0.0418 -0.2018 291 HIS B CE1 2664 N NE2 . HIS B 291 ? 1.0957 1.3653 1.0316 0.2713 0.0481 -0.1801 291 HIS B NE2 2665 N N . PRO B 292 ? 1.1453 1.2690 0.9362 0.3013 0.0841 -0.0945 292 PRO B N 2666 C CA . PRO B 292 ? 1.1312 1.2232 0.9333 0.2723 0.0934 -0.0848 292 PRO B CA 2667 C C . PRO B 292 ? 1.1297 1.2394 0.9678 0.2463 0.0846 -0.0977 292 PRO B C 2668 O O . PRO B 292 ? 1.1029 1.2399 0.9587 0.2430 0.0780 -0.1069 292 PRO B O 2669 C CB . PRO B 292 ? 1.1768 1.2467 0.9619 0.2730 0.1077 -0.0696 292 PRO B CB 2670 C CG . PRO B 292 ? 1.2701 1.3432 1.0207 0.3068 0.1108 -0.0623 292 PRO B CG 2671 C CD . PRO B 292 ? 1.1958 1.3151 0.9569 0.3228 0.0918 -0.0824 292 PRO B CD 2672 N N . THR B 293 ? 1.0708 1.1662 0.9194 0.2303 0.0849 -0.0986 293 THR B N 2673 C CA . THR B 293 ? 1.0358 1.1421 0.9117 0.2094 0.0785 -0.1081 293 THR B CA 2674 C C . THR B 293 ? 1.0787 1.1583 0.9576 0.1903 0.0842 -0.1013 293 THR B C 2675 O O . THR B 293 ? 1.0874 1.1457 0.9563 0.1909 0.0904 -0.0959 293 THR B O 2676 C CB . THR B 293 ? 1.1219 1.2453 1.0081 0.2132 0.0722 -0.1209 293 THR B CB 2677 O OG1 . THR B 293 ? 1.1189 1.2713 1.0060 0.2334 0.0667 -0.1324 293 THR B OG1 2678 C CG2 . THR B 293 ? 1.0759 1.2078 0.9874 0.1947 0.0696 -0.1288 293 THR B CG2 2679 N N . LEU B 294 ? 1.0151 1.0987 0.9100 0.1749 0.0814 -0.1043 294 LEU B N 2680 C CA . LEU B 294 ? 1.0102 1.0754 0.9104 0.1596 0.0841 -0.1033 294 LEU B CA 2681 C C . LEU B 294 ? 1.0501 1.1157 0.9557 0.1534 0.0797 -0.1073 294 LEU B C 2682 O O . LEU B 294 ? 1.0313 1.1125 0.9468 0.1515 0.0741 -0.1121 294 LEU B O 2683 C CB . LEU B 294 ? 0.9969 1.0686 0.9112 0.1482 0.0804 -0.1073 294 LEU B CB 2684 C CG . LEU B 294 ? 1.0636 1.1160 0.9805 0.1382 0.0867 -0.1087 294 LEU B CG 2685 C CD1 . LEU B 294 ? 1.0526 1.1154 0.9833 0.1295 0.0816 -0.1147 294 LEU B CD1 2686 C CD2 . LEU B 294 ? 1.0929 1.1361 1.0147 0.1308 0.0849 -0.1141 294 LEU B CD2 2687 N N . LEU B 295 ? 1.0158 1.0643 0.9166 0.1507 0.0844 -0.1060 295 LEU B N 2688 C CA . LEU B 295 ? 1.0090 1.0574 0.9120 0.1461 0.0812 -0.1097 295 LEU B CA 2689 C C . LEU B 295 ? 1.0548 1.0959 0.9642 0.1372 0.0807 -0.1144 295 LEU B C 2690 O O . LEU B 295 ? 1.0582 1.0871 0.9707 0.1359 0.0879 -0.1166 295 LEU B O 2691 C CB . LEU B 295 ? 1.0214 1.0627 0.9164 0.1530 0.0854 -0.1084 295 LEU B CB 2692 C CG . LEU B 295 ? 1.0784 1.1230 0.9742 0.1501 0.0826 -0.1129 295 LEU B CG 2693 C CD1 . LEU B 295 ? 1.0848 1.1213 0.9850 0.1447 0.0847 -0.1167 295 LEU B CD1 2694 C CD2 . LEU B 295 ? 1.0984 1.1555 0.9978 0.1464 0.0779 -0.1156 295 LEU B CD2 2695 N N . SER B 296 ? 1.0013 1.0498 0.9141 0.1327 0.0735 -0.1175 296 SER B N 2696 C CA . SER B 296 ? 0.9996 1.0459 0.9167 0.1285 0.0698 -0.1251 296 SER B CA 2697 C C . SER B 296 ? 1.0519 1.1017 0.9614 0.1310 0.0653 -0.1265 296 SER B C 2698 O O . SER B 296 ? 1.0447 1.0976 0.9482 0.1326 0.0654 -0.1203 296 SER B O 2699 C CB . SER B 296 ? 1.0365 1.0868 0.9610 0.1242 0.0648 -0.1277 296 SER B CB 2700 O OG . SER B 296 ? 1.1399 1.1985 1.0641 0.1245 0.0601 -0.1228 296 SER B OG 2701 N N . TYR B 297 ? 1.0153 1.0657 0.9264 0.1324 0.0627 -0.1364 297 TYR B N 2702 C CA . TYR B 297 ? 1.0217 1.0771 0.9218 0.1384 0.0582 -0.1386 297 TYR B CA 2703 C C . TYR B 297 ? 1.0767 1.1389 0.9793 0.1435 0.0508 -0.1532 297 TYR B C 2704 O O . TYR B 297 ? 1.0681 1.1316 0.9876 0.1404 0.0517 -0.1666 297 TYR B O 2705 C CB . TYR B 297 ? 1.0405 1.0971 0.9376 0.1400 0.0630 -0.1380 297 TYR B CB 2706 C CG . TYR B 297 ? 1.0617 1.1164 0.9739 0.1379 0.0687 -0.1463 297 TYR B CG 2707 C CD1 . TYR B 297 ? 1.0903 1.1534 1.0132 0.1405 0.0678 -0.1617 297 TYR B CD1 2708 C CD2 . TYR B 297 ? 1.0697 1.1149 0.9859 0.1354 0.0764 -0.1395 297 TYR B CD2 2709 C CE1 . TYR B 297 ? 1.1011 1.1611 1.0438 0.1378 0.0768 -0.1705 297 TYR B CE1 2710 C CE2 . TYR B 297 ? 1.0862 1.1242 1.0151 0.1348 0.0854 -0.1446 297 TYR B CE2 2711 C CZ . TYR B 297 ? 1.1836 1.2280 1.1282 0.1346 0.0868 -0.1601 297 TYR B CZ 2712 O OH . TYR B 297 ? 1.2031 1.2392 1.1661 0.1331 0.0991 -0.1663 297 TYR B OH 2713 N N . ARG B 298 ? 1.0449 1.1113 0.9302 0.1529 0.0447 -0.1518 298 ARG B N 2714 C CA . ARG B 298 ? 1.0528 1.1293 0.9345 0.1638 0.0349 -0.1668 298 ARG B CA 2715 C C . ARG B 298 ? 1.1233 1.2045 0.9798 0.1781 0.0319 -0.1629 298 ARG B C 2716 O O . ARG B 298 ? 1.1254 1.1965 0.9647 0.1781 0.0381 -0.1451 298 ARG B O 2717 C CB . ARG B 298 ? 1.0529 1.1266 0.9355 0.1644 0.0276 -0.1684 298 ARG B CB 2718 C CG . ARG B 298 ? 1.1793 1.2416 1.0467 0.1644 0.0294 -0.1481 298 ARG B CG 2719 C CD . ARG B 298 ? 1.3010 1.3626 1.1635 0.1714 0.0197 -0.1513 298 ARG B CD 2720 N NE . ARG B 298 ? 1.4064 1.4558 1.2585 0.1717 0.0248 -0.1320 298 ARG B NE 2721 C CZ . ARG B 298 ? 1.5900 1.6347 1.4379 0.1772 0.0191 -0.1296 298 ARG B CZ 2722 N NH1 . ARG B 298 ? 1.4254 1.4779 1.2765 0.1837 0.0056 -0.1465 298 ARG B NH1 2723 N NH2 . ARG B 298 ? 1.4332 1.4655 1.2770 0.1764 0.0277 -0.1124 298 ARG B NH2 2724 N N . ASN B 299 ? 1.0910 1.1888 0.9464 0.1913 0.0234 -0.1818 299 ASN B N 2725 C CA . ASN B 299 ? 1.1126 1.2184 0.9403 0.2097 0.0192 -0.1804 299 ASN B CA 2726 C C . ASN B 299 ? 1.1822 1.2793 0.9836 0.2237 0.0128 -0.1716 299 ASN B C 2727 O O . ASN B 299 ? 1.1711 1.2691 0.9834 0.2234 0.0051 -0.1812 299 ASN B O 2728 C CB . ASN B 299 ? 1.1268 1.2601 0.9673 0.2212 0.0115 -0.2085 299 ASN B CB 2729 C CG . ASN B 299 ? 1.4109 1.5526 1.2834 0.2079 0.0190 -0.2200 299 ASN B CG 2730 O OD1 . ASN B 299 ? 1.3355 1.4685 1.2059 0.1985 0.0281 -0.2056 299 ASN B OD1 2731 N ND2 . ASN B 299 ? 1.3017 1.4607 1.2068 0.2078 0.0165 -0.2484 299 ASN B ND2 2732 N N B MET B 300 ? 1.1650 1.2517 0.9321 0.2361 0.0175 -0.1533 300 MET B N 2733 C CA B MET B 300 ? 1.1907 1.2633 0.9284 0.2519 0.0152 -0.1404 300 MET B CA 2734 C C B MET B 300 ? 1.2677 1.3564 0.9788 0.2822 0.0015 -0.1543 300 MET B C 2735 O O B MET B 300 ? 1.2995 1.3746 0.9716 0.3026 0.0037 -0.1383 300 MET B O 2736 C CB B MET B 300 ? 1.2377 1.2839 0.9546 0.2485 0.0331 -0.1114 300 MET B CB 2737 C CG B MET B 300 ? 1.2568 1.2901 1.0008 0.2243 0.0431 -0.1018 300 MET B CG 2738 S SD B MET B 300 ? 1.3304 1.3354 1.0604 0.2204 0.0663 -0.0750 300 MET B SD 2739 C CE B MET B 300 ? 1.2798 1.2906 1.0141 0.2103 0.0768 -0.0765 300 MET B CE 2740 N N . GLY B 301 ? 1.2087 1.3264 0.9428 0.2862 -0.0113 -0.1853 301 GLY B N 2741 C CA . GLY B 301 ? 1.2302 1.3732 0.9484 0.3162 -0.0272 -0.2083 301 GLY B CA 2742 C C . GLY B 301 ? 1.2634 1.4239 1.0091 0.3188 -0.0424 -0.2394 301 GLY B C 2743 O O . GLY B 301 ? 1.2384 1.3841 1.0037 0.3007 -0.0408 -0.2359 301 GLY B O 2744 N N . GLU B 302 ? 1.2290 1.4240 0.9785 0.3421 -0.0570 -0.2733 302 GLU B N 2745 C CA . GLU B 302 ? 1.2167 1.4349 0.9960 0.3483 -0.0719 -0.3122 302 GLU B CA 2746 C C . GLU B 302 ? 1.2197 1.4406 1.0565 0.3160 -0.0632 -0.3303 302 GLU B C 2747 O O . GLU B 302 ? 1.2004 1.4196 1.0605 0.3075 -0.0676 -0.3462 302 GLU B O 2748 C CB . GLU B 302 ? 1.2556 1.5158 1.0295 0.3825 -0.0881 -0.3484 302 GLU B CB 2749 C CG . GLU B 302 ? 1.3993 1.6819 1.1869 0.4009 -0.1073 -0.3867 302 GLU B CG 2750 C CD . GLU B 302 ? 1.6882 2.0173 1.4688 0.4402 -0.1254 -0.4262 302 GLU B CD 2751 O OE1 . GLU B 302 ? 1.6099 1.9725 1.4258 0.4382 -0.1231 -0.4551 302 GLU B OE1 2752 O OE2 . GLU B 302 ? 1.6478 1.9819 1.3896 0.4746 -0.1423 -0.4303 302 GLU B OE2 2753 N N . GLU B 303 ? 1.1559 1.3792 1.0137 0.2991 -0.0498 -0.3275 303 GLU B N 2754 C CA . GLU B 303 ? 1.1199 1.3402 1.0268 0.2706 -0.0370 -0.3393 303 GLU B CA 2755 C C . GLU B 303 ? 1.1492 1.3350 1.0474 0.2463 -0.0214 -0.2995 303 GLU B C 2756 O O . GLU B 303 ? 1.1407 1.3233 1.0316 0.2420 -0.0128 -0.2842 303 GLU B O 2757 C CB . GLU B 303 ? 1.1282 1.3790 1.0700 0.2724 -0.0332 -0.3697 303 GLU B CB 2758 C CG . GLU B 303 ? 1.2394 1.4863 1.2347 0.2470 -0.0174 -0.3865 303 GLU B CG 2759 C CD . GLU B 303 ? 1.4915 1.7504 1.5144 0.2397 -0.0052 -0.3945 303 GLU B CD 2760 O OE1 . GLU B 303 ? 1.4174 1.7071 1.4828 0.2450 -0.0043 -0.4354 303 GLU B OE1 2761 O OE2 . GLU B 303 ? 1.4129 1.6519 1.4182 0.2291 0.0038 -0.3624 303 GLU B OE2 2762 N N . PRO B 304 ? 1.0928 1.2558 0.9922 0.2319 -0.0186 -0.2847 304 PRO B N 2763 C CA . PRO B 304 ? 1.0778 1.2141 0.9704 0.2125 -0.0053 -0.2514 304 PRO B CA 2764 C C . PRO B 304 ? 1.1018 1.2340 1.0246 0.1931 0.0093 -0.2533 304 PRO B C 2765 O O . PRO B 304 ? 1.0913 1.2109 1.0045 0.1850 0.0185 -0.2309 304 PRO B O 2766 C CB . PRO B 304 ? 1.0965 1.2176 0.9864 0.2060 -0.0086 -0.2417 304 PRO B CB 2767 C CG . PRO B 304 ? 1.1524 1.2897 1.0634 0.2118 -0.0191 -0.2749 304 PRO B CG 2768 C CD . PRO B 304 ? 1.1112 1.2752 1.0199 0.2336 -0.0283 -0.3005 304 PRO B CD 2769 N N . ASN B 305 ? 1.0462 1.1879 1.0057 0.1868 0.0129 -0.2813 305 ASN B N 2770 C CA . ASN B 305 ? 1.0300 1.1643 1.0202 0.1705 0.0300 -0.2853 305 ASN B CA 2771 C C . ASN B 305 ? 1.0687 1.1761 1.0482 0.1556 0.0407 -0.2539 305 ASN B C 2772 O O . ASN B 305 ? 1.0620 1.1618 1.0339 0.1522 0.0482 -0.2369 305 ASN B O 2773 C CB . ASN B 305 ? 1.0398 1.1906 1.0417 0.1759 0.0340 -0.2965 305 ASN B CB 2774 C CG . ASN B 305 ? 1.3046 1.4494 1.3443 0.1624 0.0527 -0.3069 305 ASN B CG 2775 O OD1 . ASN B 305 ? 1.2256 1.3681 1.2975 0.1548 0.0621 -0.3276 305 ASN B OD1 2776 N ND2 . ASN B 305 ? 1.1967 1.3374 1.2341 0.1594 0.0602 -0.2936 305 ASN B ND2 2777 N N . TYR B 306 ? 1.0182 1.1146 0.9973 0.1484 0.0398 -0.2484 306 TYR B N 2778 C CA . TYR B 306 ? 1.0078 1.0850 0.9781 0.1374 0.0476 -0.2229 306 TYR B CA 2779 C C . TYR B 306 ? 1.0536 1.1177 1.0404 0.1277 0.0657 -0.2203 306 TYR B C 2780 O O . TYR B 306 ? 1.0502 1.1124 1.0634 0.1224 0.0756 -0.2395 306 TYR B O 2781 C CB . TYR B 306 ? 1.0170 1.0907 0.9871 0.1329 0.0415 -0.2218 306 TYR B CB 2782 C CG . TYR B 306 ? 1.0301 1.0904 0.9950 0.1234 0.0489 -0.1999 306 TYR B CG 2783 C CD1 . TYR B 306 ? 1.0526 1.1112 0.9981 0.1258 0.0455 -0.1783 306 TYR B CD1 2784 C CD2 . TYR B 306 ? 1.0365 1.0872 1.0169 0.1135 0.0610 -0.2027 306 TYR B CD2 2785 C CE1 . TYR B 306 ? 1.0539 1.1071 0.9984 0.1197 0.0511 -0.1633 306 TYR B CE1 2786 C CE2 . TYR B 306 ? 1.0430 1.0856 1.0159 0.1089 0.0667 -0.1839 306 TYR B CE2 2787 C CZ . TYR B 306 ? 1.1280 1.1748 1.0844 0.1127 0.0603 -0.1659 306 TYR B CZ 2788 O OH . TYR B 306 ? 1.1295 1.1749 1.0823 0.1107 0.0645 -0.1524 306 TYR B OH 2789 N N . GLN B 307 ? 1.0082 1.0622 0.9798 0.1264 0.0711 -0.1974 307 GLN B N 2790 C CA . GLN B 307 ? 1.0095 1.0480 0.9879 0.1216 0.0876 -0.1895 307 GLN B CA 2791 C C . GLN B 307 ? 1.0559 1.0851 1.0152 0.1211 0.0885 -0.1662 307 GLN B C 2792 O O . GLN B 307 ? 1.0440 1.0803 0.9872 0.1244 0.0787 -0.1556 307 GLN B O 2793 C CB . GLN B 307 ? 1.0306 1.0721 1.0135 0.1254 0.0922 -0.1920 307 GLN B CB 2794 C CG . GLN B 307 ? 1.2348 1.2697 1.2477 0.1217 0.1091 -0.2082 307 GLN B CG 2795 C CD . GLN B 307 ? 1.4792 1.5287 1.5198 0.1208 0.1076 -0.2389 307 GLN B CD 2796 O OE1 . GLN B 307 ? 1.4261 1.4673 1.4842 0.1143 0.1170 -0.2501 307 GLN B OE1 2797 N NE2 . GLN B 307 ? 1.3798 1.4533 1.4256 0.1286 0.0961 -0.2555 307 GLN B NE2 2798 N N . GLU B 308 ? 1.0201 1.0341 0.9822 0.1182 0.1018 -0.1599 308 GLU B N 2799 C CA . GLU B 308 ? 1.0186 1.0282 0.9638 0.1213 0.1027 -0.1414 308 GLU B CA 2800 C C . GLU B 308 ? 1.0862 1.0772 1.0260 0.1261 0.1195 -0.1312 308 GLU B C 2801 O O . GLU B 308 ? 1.0944 1.0698 1.0475 0.1230 0.1353 -0.1377 308 GLU B O 2802 C CB . GLU B 308 ? 1.0277 1.0429 0.9741 0.1169 0.0971 -0.1417 308 GLU B CB 2803 C CG . GLU B 308 ? 1.1700 1.1749 1.1315 0.1097 0.1079 -0.1524 308 GLU B CG 2804 C CD . GLU B 308 ? 1.4294 1.4387 1.3899 0.1060 0.1051 -0.1494 308 GLU B CD 2805 O OE1 . GLU B 308 ? 1.3759 1.3727 1.3315 0.1070 0.1189 -0.1419 308 GLU B OE1 2806 O OE2 . GLU B 308 ? 1.3434 1.3681 1.3074 0.1032 0.0898 -0.1541 308 GLU B OE2 2807 N N . GLU B 309 ? 1.0465 1.0388 0.9676 0.1352 0.1171 -0.1167 309 GLU B N 2808 C CA . GLU B 309 ? 1.0667 1.0420 0.9747 0.1456 0.1306 -0.1046 309 GLU B CA 2809 C C . GLU B 309 ? 1.1158 1.1014 1.0042 0.1573 0.1236 -0.0938 309 GLU B C 2810 O O . GLU B 309 ? 1.0926 1.0983 0.9804 0.1580 0.1096 -0.0964 309 GLU B O 2811 C CB . GLU B 309 ? 1.0943 1.0607 1.0046 0.1494 0.1365 -0.1049 309 GLU B CB 2812 C CG . GLU B 309 ? 1.2157 1.2004 1.1233 0.1505 0.1214 -0.1078 309 GLU B CG 2813 C CD . GLU B 309 ? 1.4924 1.4700 1.4005 0.1558 0.1264 -0.1073 309 GLU B CD 2814 O OE1 . GLU B 309 ? 1.4505 1.4196 1.3430 0.1681 0.1302 -0.0972 309 GLU B OE1 2815 O OE2 . GLU B 309 ? 1.4073 1.3903 1.3318 0.1492 0.1256 -0.1183 309 GLU B OE2 2816 N N . TRP B 310 ? 1.0954 1.0682 0.9690 0.1677 0.1349 -0.0835 310 TRP B N 2817 C CA . TRP B 310 ? 1.0977 1.0844 0.9527 0.1835 0.1285 -0.0764 310 TRP B CA 2818 C C . TRP B 310 ? 1.1651 1.1467 1.0039 0.2001 0.1293 -0.0707 310 TRP B C 2819 O O . TRP B 310 ? 1.1879 1.1432 1.0158 0.2081 0.1447 -0.0615 310 TRP B O 2820 C CB . TRP B 310 ? 1.1013 1.0787 0.9437 0.1905 0.1397 -0.0682 310 TRP B CB 2821 C CG . TRP B 310 ? 1.0918 1.0856 0.9492 0.1777 0.1327 -0.0760 310 TRP B CG 2822 C CD1 . TRP B 310 ? 1.1257 1.1086 0.9991 0.1614 0.1399 -0.0825 310 TRP B CD1 2823 C CD2 . TRP B 310 ? 1.0682 1.0940 0.9297 0.1805 0.1174 -0.0809 310 TRP B CD2 2824 N NE1 . TRP B 310 ? 1.0973 1.1021 0.9817 0.1540 0.1286 -0.0895 310 TRP B NE1 2825 C CE2 . TRP B 310 ? 1.1029 1.1341 0.9815 0.1651 0.1154 -0.0881 310 TRP B CE2 2826 C CE3 . TRP B 310 ? 1.0757 1.1282 0.9326 0.1948 0.1056 -0.0834 310 TRP B CE3 2827 C CZ2 . TRP B 310 ? 1.0706 1.1316 0.9616 0.1630 0.1025 -0.0950 310 TRP B CZ2 2828 C CZ3 . TRP B 310 ? 1.0705 1.1541 0.9429 0.1925 0.0942 -0.0924 310 TRP B CZ3 2829 C CH2 . TRP B 310 ? 1.0634 1.1505 0.9525 0.1765 0.0928 -0.0969 310 TRP B CH2 2830 N N . VAL B 311 ? 1.1069 1.1126 0.9472 0.2045 0.1142 -0.0777 311 VAL B N 2831 C CA . VAL B 311 ? 1.1174 1.1239 0.9456 0.2199 0.1115 -0.0775 311 VAL B CA 2832 C C . VAL B 311 ? 1.1870 1.2034 0.9931 0.2449 0.1095 -0.0737 311 VAL B C 2833 O O . VAL B 311 ? 1.1645 1.2090 0.9763 0.2481 0.0994 -0.0821 311 VAL B O 2834 C CB . VAL B 311 ? 1.1419 1.1682 0.9854 0.2114 0.0988 -0.0904 311 VAL B CB 2835 C CG1 . VAL B 311 ? 1.1521 1.1779 0.9860 0.2253 0.0965 -0.0931 311 VAL B CG1 2836 C CG2 . VAL B 311 ? 1.1249 1.1444 0.9856 0.1905 0.1000 -0.0939 311 VAL B CG2 2837 N N . MET B 312 ? 1.1826 1.1762 0.9641 0.2642 0.1203 -0.0617 312 MET B N 2838 C CA . MET B 312 ? 1.2094 1.2088 0.9618 0.2943 0.1198 -0.0560 312 MET B CA 2839 C C . MET B 312 ? 1.2630 1.2826 1.0078 0.3147 0.1061 -0.0674 312 MET B C 2840 O O . MET B 312 ? 1.2529 1.3044 0.9935 0.3321 0.0943 -0.0787 312 MET B O 2841 C CB . MET B 312 ? 1.2863 1.2453 1.0106 0.3082 0.1421 -0.0344 312 MET B CB 2842 C CG . MET B 312 ? 1.3326 1.2676 1.0702 0.2857 0.1595 -0.0272 312 MET B CG 2843 S SD . MET B 312 ? 1.3628 1.3227 1.1100 0.2753 0.1533 -0.0331 312 MET B SD 2844 C CE . MET B 312 ? 1.3726 1.3179 1.0761 0.3076 0.1681 -0.0147 312 MET B CE 2845 N N . HIS B 313 ? 1.2284 1.2325 0.9747 0.3131 0.1076 -0.0676 313 HIS B N 2846 C CA . HIS B 313 ? 1.2305 1.2518 0.9718 0.3310 0.0949 -0.0810 313 HIS B CA 2847 C C . HIS B 313 ? 1.2507 1.2765 1.0192 0.3083 0.0892 -0.0936 313 HIS B C 2848 O O . HIS B 313 ? 1.2195 1.2426 1.0096 0.2814 0.0922 -0.0936 313 HIS B O 2849 C CB . HIS B 313 ? 1.2901 1.2861 0.9957 0.3622 0.1027 -0.0671 313 HIS B CB 2850 C CG . HIS B 313 ? 1.3712 1.3472 1.0454 0.3812 0.1168 -0.0466 313 HIS B CG 2851 N ND1 . HIS B 313 ? 1.4160 1.3498 1.0849 0.3709 0.1404 -0.0253 313 HIS B ND1 2852 C CD2 . HIS B 313 ? 1.4130 1.4073 1.0615 0.4099 0.1117 -0.0466 313 HIS B CD2 2853 C CE1 . HIS B 313 ? 1.4432 1.3670 1.0809 0.3926 0.1505 -0.0107 313 HIS B CE1 2854 N NE2 . HIS B 313 ? 1.4470 1.4075 1.0696 0.4174 0.1328 -0.0221 313 HIS B NE2 2855 N N . LYS B 314 ? 1.2138 1.2478 0.9801 0.3208 0.0807 -0.1056 314 LYS B N 2856 C CA . LYS B 314 ? 1.1898 1.2297 0.9791 0.3025 0.0755 -0.1191 314 LYS B CA 2857 C C . LYS B 314 ? 1.2386 1.2507 1.0378 0.2815 0.0874 -0.1066 314 LYS B C 2858 O O . LYS B 314 ? 1.2605 1.2446 1.0471 0.2907 0.0985 -0.0927 314 LYS B O 2859 C CB . LYS B 314 ? 1.2363 1.2857 1.0175 0.3238 0.0658 -0.1333 314 LYS B CB 2860 C CG . LYS B 314 ? 1.3981 1.4588 1.2039 0.3059 0.0596 -0.1515 314 LYS B CG 2861 C CD . LYS B 314 ? 1.5467 1.6151 1.3447 0.3278 0.0500 -0.1669 314 LYS B CD 2862 C CE . LYS B 314 ? 1.6710 1.7459 1.4924 0.3087 0.0464 -0.1830 314 LYS B CE 2863 N NZ . LYS B 314 ? 1.8034 1.8878 1.6198 0.3297 0.0357 -0.2017 314 LYS B NZ 2864 N N . LYS B 315 ? 1.1669 1.1874 0.9897 0.2551 0.0862 -0.1126 315 LYS B N 2865 C CA . LYS B 315 ? 1.1603 1.1639 0.9973 0.2359 0.0950 -0.1070 315 LYS B CA 2866 C C . LYS B 315 ? 1.1837 1.2043 1.0410 0.2159 0.0882 -0.1201 315 LYS B C 2867 O O . LYS B 315 ? 1.1602 1.1981 1.0232 0.2086 0.0826 -0.1266 315 LYS B O 2868 C CB . LYS B 315 ? 1.1963 1.1847 1.0337 0.2283 0.1061 -0.0946 315 LYS B CB 2869 C CG . LYS B 315 ? 1.3843 1.3535 1.2377 0.2148 0.1185 -0.0916 315 LYS B CG 2870 C CD . LYS B 315 ? 1.5094 1.4680 1.3684 0.2054 0.1286 -0.0859 315 LYS B CD 2871 C CE . LYS B 315 ? 1.6477 1.5926 1.5298 0.1928 0.1413 -0.0897 315 LYS B CE 2872 N NZ . LYS B 315 ? 1.7627 1.6971 1.6533 0.1844 0.1525 -0.0883 315 LYS B NZ 2873 N N . GLU B 316 ? 1.1410 1.1563 1.0096 0.2080 0.0904 -0.1237 316 GLU B N 2874 C CA . GLU B 316 ? 1.1189 1.1486 1.0029 0.1912 0.0858 -0.1346 316 GLU B CA 2875 C C . GLU B 316 ? 1.1597 1.1841 1.0549 0.1777 0.0917 -0.1307 316 GLU B C 2876 O O . GLU B 316 ? 1.1641 1.1737 1.0666 0.1781 0.1008 -0.1265 316 GLU B O 2877 C CB . GLU B 316 ? 1.1389 1.1716 1.0302 0.1921 0.0830 -0.1443 316 GLU B CB 2878 C CG . GLU B 316 ? 1.2598 1.3101 1.1622 0.1779 0.0781 -0.1568 316 GLU B CG 2879 C CD . GLU B 316 ? 1.5228 1.5778 1.4363 0.1757 0.0760 -0.1673 316 GLU B CD 2880 O OE1 . GLU B 316 ? 1.4596 1.5091 1.3856 0.1714 0.0807 -0.1657 316 GLU B OE1 2881 O OE2 . GLU B 316 ? 1.4430 1.5092 1.3567 0.1774 0.0701 -0.1800 316 GLU B OE2 2882 N N . VAL B 317 ? 1.1009 1.1370 0.9986 0.1673 0.0878 -0.1337 317 VAL B N 2883 C CA . VAL B 317 ? 1.0926 1.1281 0.9993 0.1577 0.0904 -0.1336 317 VAL B CA 2884 C C . VAL B 317 ? 1.1313 1.1810 1.0441 0.1497 0.0861 -0.1428 317 VAL B C 2885 O O . VAL B 317 ? 1.1199 1.1786 1.0255 0.1475 0.0822 -0.1448 317 VAL B O 2886 C CB . VAL B 317 ? 1.1391 1.1720 1.0410 0.1560 0.0906 -0.1273 317 VAL B CB 2887 C CG1 . VAL B 317 ? 1.1495 1.1663 1.0474 0.1633 0.0984 -0.1187 317 VAL B CG1 2888 C CG2 . VAL B 317 ? 1.1286 1.1725 1.0228 0.1557 0.0847 -0.1271 317 VAL B CG2 2889 N N . VAL B 318 ? 1.0881 1.1405 1.0158 0.1464 0.0887 -0.1496 318 VAL B N 2890 C CA . VAL B 318 ? 1.0802 1.1497 1.0130 0.1422 0.0844 -0.1598 318 VAL B CA 2891 C C . VAL B 318 ? 1.1260 1.2008 1.0607 0.1412 0.0828 -0.1629 318 VAL B C 2892 O O . VAL B 318 ? 1.1210 1.1929 1.0726 0.1409 0.0875 -0.1688 318 VAL B O 2893 C CB . VAL B 318 ? 1.1296 1.2068 1.0820 0.1415 0.0862 -0.1709 318 VAL B CB 2894 C CG1 . VAL B 318 ? 1.1223 1.2219 1.0775 0.1392 0.0808 -0.1823 318 VAL B CG1 2895 C CG2 . VAL B 318 ? 1.1307 1.2011 1.0804 0.1445 0.0865 -0.1685 318 VAL B CG2 2896 N N . LEU B 319 ? 1.0818 1.1626 0.9997 0.1417 0.0777 -0.1598 319 LEU B N 2897 C CA . LEU B 319 ? 1.0809 1.1667 0.9948 0.1441 0.0739 -0.1623 319 LEU B CA 2898 C C . LEU B 319 ? 1.1329 1.2357 1.0382 0.1492 0.0690 -0.1696 319 LEU B C 2899 O O . LEU B 319 ? 1.1317 1.2355 1.0222 0.1491 0.0699 -0.1645 319 LEU B O 2900 C CB . LEU B 319 ? 1.0832 1.1584 0.9813 0.1436 0.0732 -0.1496 319 LEU B CB 2901 C CG . LEU B 319 ? 1.1395 1.2033 1.0443 0.1415 0.0755 -0.1451 319 LEU B CG 2902 C CD1 . LEU B 319 ? 1.1405 1.1951 1.0485 0.1413 0.0808 -0.1396 319 LEU B CD1 2903 C CD2 . LEU B 319 ? 1.1718 1.2322 1.0652 0.1413 0.0729 -0.1367 319 LEU B CD2 2904 N N . THR B 320 ? 1.0902 1.2073 1.0048 0.1550 0.0646 -0.1834 320 THR B N 2905 C CA . THR B 320 ? 1.0971 1.2345 1.0009 0.1650 0.0585 -0.1923 320 THR B CA 2906 C C . THR B 320 ? 1.1613 1.2921 1.0341 0.1733 0.0550 -0.1810 320 THR B C 2907 O O . THR B 320 ? 1.1556 1.2797 1.0285 0.1747 0.0521 -0.1801 320 THR B O 2908 C CB . THR B 320 ? 1.1924 1.3540 1.1239 0.1706 0.0547 -0.2174 320 THR B CB 2909 O OG1 . THR B 320 ? 1.1834 1.3395 1.1297 0.1697 0.0549 -0.2243 320 THR B OG1 2910 C CG2 . THR B 320 ? 1.1621 1.3326 1.1245 0.1639 0.0601 -0.2289 320 THR B CG2 2911 N N . VAL B 321 ? 1.1331 1.2636 0.9797 0.1786 0.0570 -0.1721 321 VAL B N 2912 C CA . VAL B 321 ? 1.1529 1.2723 0.9671 0.1882 0.0579 -0.1584 321 VAL B CA 2913 C C . VAL B 321 ? 1.2201 1.3596 1.0165 0.2084 0.0498 -0.1685 321 VAL B C 2914 O O . VAL B 321 ? 1.2250 1.3776 1.0107 0.2147 0.0511 -0.1720 321 VAL B O 2915 C CB . VAL B 321 ? 1.2135 1.3140 1.0095 0.1822 0.0704 -0.1408 321 VAL B CB 2916 C CG1 . VAL B 321 ? 1.2380 1.3217 1.0033 0.1921 0.0757 -0.1251 321 VAL B CG1 2917 C CG2 . VAL B 321 ? 1.1909 1.2788 1.0068 0.1663 0.0758 -0.1366 321 VAL B CG2 2918 N N . PRO B 322 ? 1.1818 1.3267 0.9748 0.2203 0.0405 -0.1757 322 PRO B N 2919 C CA . PRO B 322 ? 1.2016 1.3695 0.9756 0.2444 0.0308 -0.1884 322 PRO B CA 2920 C C . PRO B 322 ? 1.2865 1.4379 1.0115 0.2605 0.0361 -0.1668 322 PRO B C 2921 O O . PRO B 322 ? 1.2872 1.4083 0.9994 0.2512 0.0475 -0.1442 322 PRO B O 2922 C CB . PRO B 322 ? 1.2165 1.3947 1.0083 0.2505 0.0195 -0.2067 322 PRO B CB 2923 C CG . PRO B 322 ? 1.2601 1.4099 1.0590 0.2336 0.0250 -0.1909 322 PRO B CG 2924 C CD . PRO B 322 ? 1.1900 1.3226 0.9955 0.2141 0.0378 -0.1746 322 PRO B CD 2925 N N . THR B 323 ? 1.2694 1.4412 0.9677 0.2861 0.0293 -0.1749 323 THR B N 2926 C CA . THR B 323 ? 1.3126 1.4682 0.9577 0.3075 0.0360 -0.1539 323 THR B CA 2927 C C . THR B 323 ? 1.3759 1.5013 1.0000 0.3130 0.0385 -0.1354 323 THR B C 2928 O O . THR B 323 ? 1.4008 1.4954 0.9920 0.3167 0.0544 -0.1091 323 THR B O 2929 C CB . THR B 323 ? 1.4443 1.6335 1.0654 0.3392 0.0246 -0.1704 323 THR B CB 2930 O OG1 . THR B 323 ? 1.4299 1.6482 1.0723 0.3520 0.0052 -0.1992 323 THR B OG1 2931 C CG2 . THR B 323 ? 1.4150 1.6302 1.0488 0.3347 0.0268 -0.1826 323 THR B CG2 2932 N N . GLU B 324 ? 1.3110 1.4446 0.9579 0.3123 0.0248 -0.1503 324 GLU B N 2933 C CA . GLU B 324 ? 1.3181 1.4281 0.9542 0.3154 0.0239 -0.1377 324 GLU B CA 2934 C C . GLU B 324 ? 1.3448 1.4236 0.9972 0.2878 0.0395 -0.1170 324 GLU B C 2935 O O . GLU B 324 ? 1.3563 1.4095 0.9928 0.2906 0.0461 -0.0989 324 GLU B O 2936 C CB . GLU B 324 ? 1.3184 1.4504 0.9791 0.3212 0.0044 -0.1650 324 GLU B CB 2937 C CG . GLU B 324 ? 1.4055 1.5579 1.1190 0.2992 0.0005 -0.1893 324 GLU B CG 2938 C CD . GLU B 324 ? 1.6501 1.8433 1.3812 0.3119 -0.0103 -0.2220 324 GLU B CD 2939 O OE1 . GLU B 324 ? 1.5779 1.7838 1.2908 0.3231 -0.0079 -0.2206 324 GLU B OE1 2940 O OE2 . GLU B 324 ? 1.5494 1.7630 1.3165 0.3098 -0.0196 -0.2511 324 GLU B OE2 2941 N N . GLY B 325 ? 1.2650 1.3481 0.9499 0.2637 0.0448 -0.1217 325 GLY B N 2942 C CA . GLY B 325 ? 1.2414 1.3029 0.9451 0.2398 0.0578 -0.1078 325 GLY B CA 2943 C C . GLY B 325 ? 1.2459 1.3149 0.9897 0.2213 0.0511 -0.1201 325 GLY B C 2944 O O . GLY B 325 ? 1.2294 1.3137 0.9871 0.2256 0.0381 -0.1375 325 GLY B O 2945 N N . LEU B 326 ? 1.1803 1.2386 0.9425 0.2021 0.0613 -0.1126 326 LEU B N 2946 C CA . LEU B 326 ? 1.1450 1.2066 0.9395 0.1864 0.0582 -0.1200 326 LEU B CA 2947 C C . LEU B 326 ? 1.1831 1.2290 0.9857 0.1755 0.0665 -0.1073 326 LEU B C 2948 O O . LEU B 326 ? 1.1845 1.2201 0.9820 0.1716 0.0790 -0.0973 326 LEU B O 2949 C CB . LEU B 326 ? 1.1292 1.2010 0.9414 0.1775 0.0601 -0.1290 326 LEU B CB 2950 C CG . LEU B 326 ? 1.1642 1.2380 1.0051 0.1657 0.0585 -0.1363 326 LEU B CG 2951 C CD1 . LEU B 326 ? 1.1614 1.2482 1.0176 0.1696 0.0504 -0.1544 326 LEU B CD1 2952 C CD2 . LEU B 326 ? 1.1863 1.2610 1.0381 0.1576 0.0646 -0.1370 326 LEU B CD2 2953 N N . GLU B 327 ? 1.1227 1.1690 0.9410 0.1706 0.0603 -0.1106 327 GLU B N 2954 C CA . GLU B 327 ? 1.1075 1.1459 0.9393 0.1611 0.0658 -0.1029 327 GLU B CA 2955 C C . GLU B 327 ? 1.1292 1.1748 0.9842 0.1501 0.0648 -0.1095 327 GLU B C 2956 O O . GLU B 327 ? 1.1148 1.1662 0.9787 0.1492 0.0579 -0.1191 327 GLU B O 2957 C CB . GLU B 327 ? 1.1294 1.1640 0.9597 0.1655 0.0594 -0.1013 327 GLU B CB 2958 C CG . GLU B 327 ? 1.2523 1.2805 1.0972 0.1575 0.0667 -0.0932 327 GLU B CG 2959 C CD . GLU B 327 ? 1.5050 1.5342 1.3588 0.1576 0.0581 -0.0956 327 GLU B CD 2960 O OE1 . GLU B 327 ? 1.4182 1.4572 1.2858 0.1525 0.0486 -0.1067 327 GLU B OE1 2961 O OE2 . GLU B 327 ? 1.4478 1.4664 1.2966 0.1620 0.0626 -0.0865 327 GLU B OE2 2962 N N . VAL B 328 ? 1.0766 1.1215 0.9412 0.1436 0.0731 -0.1058 328 VAL B N 2963 C CA . VAL B 328 ? 1.0569 1.1078 0.9372 0.1381 0.0728 -0.1103 328 VAL B CA 2964 C C . VAL B 328 ? 1.0916 1.1466 0.9871 0.1342 0.0754 -0.1087 328 VAL B C 2965 O O . VAL B 328 ? 1.0886 1.1433 0.9888 0.1332 0.0832 -0.1067 328 VAL B O 2966 C CB . VAL B 328 ? 1.1078 1.1608 0.9870 0.1380 0.0772 -0.1132 328 VAL B CB 2967 C CG1 . VAL B 328 ? 1.0947 1.1510 0.9841 0.1372 0.0761 -0.1166 328 VAL B CG1 2968 C CG2 . VAL B 328 ? 1.1167 1.1701 0.9844 0.1418 0.0752 -0.1164 328 VAL B CG2 2969 N N . THR B 329 ? 1.0340 1.0938 0.9394 0.1324 0.0706 -0.1113 329 THR B N 2970 C CA . THR B 329 ? 1.0176 1.0873 0.9390 0.1304 0.0714 -0.1124 329 THR B CA 2971 C C . THR B 329 ? 1.0586 1.1354 0.9830 0.1340 0.0721 -0.1155 329 THR B C 2972 O O . THR B 329 ? 1.0562 1.1272 0.9746 0.1353 0.0706 -0.1147 329 THR B O 2973 C CB . THR B 329 ? 1.1127 1.1835 1.0411 0.1272 0.0655 -0.1125 329 THR B CB 2974 O OG1 . THR B 329 ? 1.1190 1.1810 1.0385 0.1283 0.0637 -0.1094 329 THR B OG1 2975 C CG2 . THR B 329 ? 1.0790 1.1642 1.0279 0.1250 0.0663 -0.1151 329 THR B CG2 2976 N N . TRP B 330 ? 1.0087 1.0973 0.9426 0.1371 0.0758 -0.1204 330 TRP B N 2977 C CA . TRP B 330 ? 1.0052 1.1034 0.9391 0.1457 0.0752 -0.1250 330 TRP B CA 2978 C C . TRP B 330 ? 1.0491 1.1681 0.9997 0.1496 0.0734 -0.1314 330 TRP B C 2979 O O . TRP B 330 ? 1.0350 1.1705 1.0050 0.1503 0.0763 -0.1417 330 TRP B O 2980 C CB . TRP B 330 ? 0.9923 1.0926 0.9249 0.1493 0.0789 -0.1314 330 TRP B CB 2981 C CG . TRP B 330 ? 1.0036 1.1173 0.9371 0.1617 0.0771 -0.1398 330 TRP B CG 2982 C CD1 . TRP B 330 ? 1.0348 1.1683 0.9844 0.1674 0.0786 -0.1553 330 TRP B CD1 2983 C CD2 . TRP B 330 ? 1.0115 1.1192 0.9286 0.1725 0.0744 -0.1348 330 TRP B CD2 2984 N NE1 . TRP B 330 ? 1.0337 1.1769 0.9756 0.1832 0.0739 -0.1613 330 TRP B NE1 2985 C CE2 . TRP B 330 ? 1.0629 1.1880 0.9823 0.1872 0.0721 -0.1464 330 TRP B CE2 2986 C CE3 . TRP B 330 ? 1.0371 1.1256 0.9393 0.1722 0.0757 -0.1230 330 TRP B CE3 2987 C CZ2 . TRP B 330 ? 1.0698 1.1912 0.9707 0.2039 0.0701 -0.1429 330 TRP B CZ2 2988 C CZ3 . TRP B 330 ? 1.0711 1.1532 0.9586 0.1860 0.0773 -0.1188 330 TRP B CZ3 2989 C CH2 . TRP B 330 ? 1.0846 1.1818 0.9684 0.2028 0.0740 -0.1268 330 TRP B CH2 2990 N N . GLY B 331 ? 1.0119 1.1307 0.9576 0.1518 0.0700 -0.1271 331 GLY B N 2991 C CA . GLY B 331 ? 1.0021 1.1427 0.9616 0.1566 0.0672 -0.1330 331 GLY B CA 2992 C C . GLY B 331 ? 1.0427 1.1954 1.0273 0.1471 0.0664 -0.1380 331 GLY B C 2993 O O . GLY B 331 ? 1.0384 1.1760 1.0216 0.1370 0.0661 -0.1318 331 GLY B O 2994 N N . ASN B 332 ? 0.9920 1.1735 1.0013 0.1521 0.0663 -0.1512 332 ASN B N 2995 C CA . ASN B 332 ? 0.9764 1.1728 1.0174 0.1439 0.0678 -0.1585 332 ASN B CA 2996 C C . ASN B 332 ? 1.0356 1.2239 1.0911 0.1368 0.0778 -0.1612 332 ASN B C 2997 O O . ASN B 332 ? 1.0204 1.2160 1.1033 0.1302 0.0827 -0.1658 332 ASN B O 2998 C CB . ASN B 332 ? 0.9689 1.2038 1.0362 0.1526 0.0646 -0.1748 332 ASN B CB 2999 C CG . ASN B 332 ? 1.2466 1.4874 1.2990 0.1586 0.0572 -0.1698 332 ASN B CG 3000 O OD1 . ASN B 332 ? 1.1768 1.4019 1.2210 0.1490 0.0547 -0.1597 332 ASN B OD1 3001 N ND2 . ASN B 332 ? 1.1427 1.4069 1.1910 0.1762 0.0542 -0.1784 332 ASN B ND2 3002 N N . ASN B 333 ? 1.0147 1.1861 1.0519 0.1383 0.0825 -0.1576 333 ASN B N 3003 C CA . ASN B 333 ? 1.0249 1.1839 1.0696 0.1323 0.0949 -0.1583 333 ASN B CA 3004 C C . ASN B 333 ? 1.0965 1.2288 1.1258 0.1248 0.0965 -0.1418 333 ASN B C 3005 O O . ASN B 333 ? 1.0941 1.2157 1.1024 0.1245 0.0865 -0.1320 333 ASN B O 3006 C CB . ASN B 333 ? 1.0439 1.1945 1.0716 0.1364 0.0980 -0.1602 333 ASN B CB 3007 C CG . ASN B 333 ? 1.3135 1.4899 1.3549 0.1469 0.0964 -0.1791 333 ASN B CG 3008 O OD1 . ASN B 333 ? 1.2283 1.4253 1.3024 0.1477 0.1045 -0.1984 333 ASN B OD1 3009 N ND2 . ASN B 333 ? 1.2168 1.3921 1.2343 0.1566 0.0870 -0.1756 333 ASN B ND2 3010 N N . GLU B 334 ? 1.0712 1.1920 1.1105 0.1204 0.1105 -0.1402 334 GLU B N 3011 C CA . GLU B 334 ? 1.0914 1.1856 1.1114 0.1182 0.1135 -0.1242 334 GLU B CA 3012 C C . GLU B 334 ? 1.1647 1.2403 1.1466 0.1219 0.1091 -0.1144 334 GLU B C 3013 O O . GLU B 334 ? 1.1613 1.2396 1.1388 0.1232 0.1122 -0.1197 334 GLU B O 3014 C CB . GLU B 334 ? 1.1230 1.2060 1.1611 0.1151 0.1343 -0.1235 334 GLU B CB 3015 C CG . GLU B 334 ? 1.2438 1.3444 1.3252 0.1108 0.1403 -0.1338 334 GLU B CG 3016 C CD . GLU B 334 ? 1.5077 1.6078 1.5892 0.1098 0.1283 -0.1264 334 GLU B CD 3017 O OE1 . GLU B 334 ? 1.4799 1.5538 1.5387 0.1122 0.1298 -0.1108 334 GLU B OE1 3018 O OE2 . GLU B 334 ? 1.4044 1.5314 1.5081 0.1081 0.1172 -0.1373 334 GLU B OE2 3019 N N . PRO B 335 ? 1.1379 1.1986 1.0952 0.1245 0.1007 -0.1036 335 PRO B N 3020 C CA . PRO B 335 ? 1.1519 1.2019 1.0792 0.1291 0.0959 -0.0990 335 PRO B CA 3021 C C . PRO B 335 ? 1.2293 1.2664 1.1424 0.1314 0.1089 -0.0947 335 PRO B C 3022 O O . PRO B 335 ? 1.2411 1.2648 1.1532 0.1325 0.1225 -0.0879 335 PRO B O 3023 C CB . PRO B 335 ? 1.1825 1.2243 1.0935 0.1334 0.0851 -0.0937 335 PRO B CB 3024 C CG . PRO B 335 ? 1.2385 1.2774 1.1636 0.1322 0.0890 -0.0902 335 PRO B CG 3025 C CD . PRO B 335 ? 1.1581 1.2148 1.1167 0.1247 0.0940 -0.0989 335 PRO B CD 3026 N N . TYR B 336 ? 1.1920 1.2321 1.0948 0.1322 0.1065 -0.0986 336 TYR B N 3027 C CA . TYR B 336 ? 1.2114 1.2421 1.1000 0.1337 0.1173 -0.0967 336 TYR B CA 3028 C C . TYR B 336 ? 1.2880 1.3087 1.1459 0.1421 0.1114 -0.0883 336 TYR B C 3029 O O . TYR B 336 ? 1.2743 1.3020 1.1270 0.1449 0.0969 -0.0915 336 TYR B O 3030 C CB . TYR B 336 ? 1.2155 1.2572 1.1100 0.1313 0.1155 -0.1073 336 TYR B CB 3031 C CG . TYR B 336 ? 1.2164 1.2749 1.1366 0.1288 0.1137 -0.1191 336 TYR B CG 3032 C CD1 . TYR B 336 ? 1.2373 1.3025 1.1827 0.1257 0.1257 -0.1278 336 TYR B CD1 3033 C CD2 . TYR B 336 ? 1.2137 1.2819 1.1334 0.1317 0.1019 -0.1235 336 TYR B CD2 3034 C CE1 . TYR B 336 ? 1.2285 1.3152 1.1978 0.1273 0.1224 -0.1428 336 TYR B CE1 3035 C CE2 . TYR B 336 ? 1.2113 1.2957 1.1484 0.1344 0.0998 -0.1340 336 TYR B CE2 3036 C CZ . TYR B 336 ? 1.2982 1.3946 1.2600 0.1331 0.1084 -0.1449 336 TYR B CZ 3037 O OH . TYR B 336 ? 1.2973 1.4155 1.2766 0.1395 0.1045 -0.1589 336 TYR B OH 3038 N N . LYS B 337 ? 1.2793 1.2846 1.1177 0.1475 0.1240 -0.0794 337 LYS B N 3039 C CA . LYS B 337 ? 1.3043 1.3035 1.1100 0.1602 0.1185 -0.0728 337 LYS B CA 3040 C C . LYS B 337 ? 1.3718 1.3711 1.1626 0.1619 0.1252 -0.0743 337 LYS B C 3041 O O . LYS B 337 ? 1.3761 1.3658 1.1701 0.1567 0.1433 -0.0724 337 LYS B O 3042 C CB . LYS B 337 ? 1.3672 1.3474 1.1538 0.1708 0.1259 -0.0588 337 LYS B CB 3043 C CG . LYS B 337 ? 1.5422 1.5261 1.3371 0.1728 0.1122 -0.0597 337 LYS B CG 3044 C CD . LYS B 337 ? 1.7063 1.6695 1.4818 0.1852 0.1197 -0.0453 337 LYS B CD 3045 C CE . LYS B 337 ? 1.8372 1.8056 1.6220 0.1873 0.1044 -0.0487 337 LYS B CE 3046 N NZ . LYS B 337 ? 1.9244 1.8993 1.7485 0.1712 0.1080 -0.0531 337 LYS B NZ 3047 N N . TYR B 338 ? 1.3320 1.3443 1.1112 0.1684 0.1115 -0.0807 338 TYR B N 3048 C CA . TYR B 338 ? 1.3416 1.3597 1.1093 0.1703 0.1146 -0.0848 338 TYR B CA 3049 C C . TYR B 338 ? 1.4225 1.4445 1.1590 0.1883 0.1085 -0.0825 338 TYR B C 3050 O O . TYR B 338 ? 1.4138 1.4456 1.1476 0.1975 0.0935 -0.0878 338 TYR B O 3051 C CB . TYR B 338 ? 1.3270 1.3631 1.1179 0.1612 0.1047 -0.0993 338 TYR B CB 3052 C CG . TYR B 338 ? 1.3274 1.3632 1.1445 0.1487 0.1088 -0.1034 338 TYR B CG 3053 C CD1 . TYR B 338 ? 1.3537 1.3863 1.1786 0.1417 0.1219 -0.1069 338 TYR B CD1 3054 C CD2 . TYR B 338 ? 1.3162 1.3571 1.1507 0.1454 0.0996 -0.1064 338 TYR B CD2 3055 C CE1 . TYR B 338 ? 1.3436 1.3812 1.1934 0.1341 0.1237 -0.1152 338 TYR B CE1 3056 C CE2 . TYR B 338 ? 1.3104 1.3547 1.1657 0.1383 0.1021 -0.1113 338 TYR B CE2 3057 C CZ . TYR B 338 ? 1.4034 1.4478 1.2666 0.1339 0.1131 -0.1167 338 TYR B CZ 3058 O OH . TYR B 338 ? 1.3974 1.4501 1.2818 0.1306 0.1138 -0.1257 338 TYR B OH 3059 N N . TRP B 339 ? 1.4103 1.4265 1.1239 0.1943 0.1205 -0.0771 339 TRP B N 3060 C CA . TRP B 339 ? 1.4407 1.4632 1.1199 0.2150 0.1163 -0.0752 339 TRP B CA 3061 C C . TRP B 339 ? 1.4964 1.5316 1.1716 0.2133 0.1204 -0.0826 339 TRP B C 3062 O O . TRP B 339 ? 1.4904 1.5145 1.1738 0.1997 0.1364 -0.0802 339 TRP B O 3063 C CB . TRP B 339 ? 1.4708 1.4660 1.1134 0.2304 0.1316 -0.0544 339 TRP B CB 3064 C CG . TRP B 339 ? 1.4878 1.4751 1.1261 0.2398 0.1232 -0.0486 339 TRP B CG 3065 C CD1 . TRP B 339 ? 1.5358 1.5362 1.1564 0.2603 0.1047 -0.0543 339 TRP B CD1 3066 C CD2 . TRP B 339 ? 1.4824 1.4482 1.1352 0.2303 0.1335 -0.0382 339 TRP B CD2 3067 N NE1 . TRP B 339 ? 1.5318 1.5187 1.1540 0.2632 0.1018 -0.0475 339 TRP B NE1 3068 C CE2 . TRP B 339 ? 1.5402 1.5060 1.1826 0.2446 0.1196 -0.0367 339 TRP B CE2 3069 C CE3 . TRP B 339 ? 1.4876 1.4378 1.1657 0.2115 0.1528 -0.0336 339 TRP B CE3 3070 C CZ2 . TRP B 339 ? 1.5287 1.4782 1.1843 0.2395 0.1242 -0.0285 339 TRP B CZ2 3071 C CZ3 . TRP B 339 ? 1.5030 1.4395 1.1964 0.2072 0.1580 -0.0269 339 TRP B CZ3 3072 C CH2 . TRP B 339 ? 1.5184 1.4541 1.2004 0.2204 0.1437 -0.0233 339 TRP B CH2 3073 N N . PRO B 340 ? 1.4589 1.5198 1.1244 0.2271 0.1066 -0.0944 340 PRO B N 3074 C CA . PRO B 340 ? 1.4593 1.5350 1.1228 0.2253 0.1104 -0.1024 340 PRO B CA 3075 C C . PRO B 340 ? 1.5564 1.6152 1.1771 0.2386 0.1288 -0.0866 340 PRO B C 3076 O O . PRO B 340 ? 1.5872 1.6309 1.1729 0.2584 0.1327 -0.0719 340 PRO B O 3077 C CB . PRO B 340 ? 1.4672 1.5800 1.1416 0.2365 0.0893 -0.1236 340 PRO B CB 3078 C CG . PRO B 340 ? 1.5166 1.6317 1.1968 0.2446 0.0759 -0.1272 340 PRO B CG 3079 C CD . PRO B 340 ? 1.4805 1.5617 1.1405 0.2453 0.0872 -0.1050 340 PRO B CD 3080 N N . GLN B 341 ? 1.5165 1.5759 1.1388 0.2286 0.1413 -0.0894 341 GLN B N 3081 C CA . GLN B 341 ? 1.5621 1.6033 1.1449 0.2388 0.1633 -0.0750 341 GLN B CA 3082 C C . GLN B 341 ? 1.6395 1.7042 1.1865 0.2666 0.1533 -0.0776 341 GLN B C 3083 O O . GLN B 341 ? 1.6077 1.7109 1.1739 0.2682 0.1339 -0.0990 341 GLN B O 3084 C CB . GLN B 341 ? 1.5707 1.6069 1.1716 0.2172 0.1800 -0.0814 341 GLN B CB 3085 C CG . GLN B 341 ? 1.7569 1.7649 1.3824 0.1964 0.1979 -0.0770 341 GLN B CG 3086 C CD . GLN B 341 ? 2.0296 2.0166 1.6487 0.1866 0.2276 -0.0743 341 GLN B CD 3087 O OE1 . GLN B 341 ? 2.0234 1.9812 1.6075 0.1975 0.2523 -0.0555 341 GLN B OE1 3088 N NE2 . GLN B 341 ? 1.9008 1.9001 1.5536 0.1666 0.2277 -0.0937 341 GLN B NE2 3089 N N . LEU B 342 ? 1.6522 1.6942 1.1476 0.2906 0.1675 -0.0566 342 LEU B N 3090 C CA . LEU B 342 ? 2.0886 2.1515 1.5404 0.3239 0.1594 -0.0570 342 LEU B CA 3091 C C . LEU B 342 ? 2.4673 2.5438 1.9083 0.3226 0.1699 -0.0624 342 LEU B C 3092 O O . LEU B 342 ? 1.9761 2.0947 1.4145 0.3377 0.1522 -0.0806 342 LEU B O 3093 C CB . LEU B 342 ? 2.1530 2.1809 1.5480 0.3525 0.1738 -0.0292 342 LEU B CB 3094 C CG . LEU B 342 ? 2.2396 2.2899 1.6000 0.3918 0.1513 -0.0332 342 LEU B CG 3095 C CD1 . LEU B 342 ? 2.2658 2.3546 1.5973 0.4185 0.1420 -0.0459 342 LEU B CD1 3096 C CD2 . LEU B 342 ? 2.2215 2.2965 1.6235 0.3862 0.1225 -0.0542 342 LEU B CD2 3097 N N . GLY C 22 ? 1.8470 1.3722 1.0317 -0.2463 0.0096 -0.0028 0 GLY F N 3098 C CA . GLY C 22 ? 1.8669 1.3743 1.0293 -0.2570 0.0174 -0.0011 0 GLY F CA 3099 C C . GLY C 22 ? 1.8523 1.4121 1.0723 -0.2333 0.0301 -0.0049 0 GLY F C 3100 O O . GLY C 22 ? 1.8415 1.3846 1.0617 -0.2033 0.0195 -0.0131 0 GLY F O 3101 N N . TYR C 23 ? 1.7633 1.3868 1.0299 -0.2461 0.0512 -0.0001 1 TYR F N 3102 C CA . TYR C 23 ? 1.7055 1.3779 1.0233 -0.2262 0.0622 -0.0025 1 TYR F CA 3103 C C . TYR C 23 ? 1.6909 1.4136 1.0657 -0.2048 0.0634 -0.0056 1 TYR F C 3104 O O . TYR C 23 ? 1.6655 1.4214 1.0634 -0.2152 0.0686 -0.0034 1 TYR F O 3105 C CB . TYR C 23 ? 1.7105 1.4230 1.0429 -0.2476 0.0811 0.0019 1 TYR F CB 3106 C CG . TYR C 23 ? 1.6826 1.4410 1.0617 -0.2267 0.0900 -0.0003 1 TYR F CG 3107 C CD1 . TYR C 23 ? 1.6550 1.4792 1.0876 -0.2216 0.0995 -0.0013 1 TYR F CD1 3108 C CD2 . TYR C 23 ? 1.7021 1.4341 1.0674 -0.2117 0.0871 -0.0020 1 TYR F CD2 3109 C CE1 . TYR C 23 ? 1.6260 1.4853 1.0940 -0.2021 0.1043 -0.0033 1 TYR F CE1 3110 C CE2 . TYR C 23 ? 1.6711 1.4417 1.0760 -0.1928 0.0934 -0.0034 1 TYR F CE2 3111 C CZ . TYR C 23 ? 1.7151 1.5479 1.1696 -0.1884 0.1013 -0.0037 1 TYR F CZ 3112 O OH . TYR C 23 ? 1.6914 1.5554 1.1777 -0.1694 0.1043 -0.0050 1 TYR F OH 3113 N N . GLU C 24 ? 1.6183 1.3461 1.0138 -0.1764 0.0586 -0.0113 2 GLU F N 3114 C CA . GLU C 24 ? 1.5629 1.3343 1.0069 -0.1578 0.0593 -0.0144 2 GLU F CA 3115 C C . GLU C 24 ? 1.5637 1.3845 1.0500 -0.1546 0.0725 -0.0122 2 GLU F C 3116 O O . GLU C 24 ? 1.5569 1.3727 1.0423 -0.1458 0.0742 -0.0128 2 GLU F O 3117 C CB . GLU C 24 ? 1.5817 1.3326 1.0204 -0.1314 0.0452 -0.0234 2 GLU F CB 3118 C CG . GLU C 24 ? 1.6683 1.4620 1.1502 -0.1170 0.0453 -0.0269 2 GLU F CG 3119 C CD . GLU C 24 ? 1.9047 1.6982 1.3929 -0.0926 0.0359 -0.0373 2 GLU F CD 3120 O OE1 . GLU C 24 ? 1.8084 1.6188 1.3098 -0.0830 0.0298 -0.0431 2 GLU F OE1 3121 O OE2 . GLU C 24 ? 1.8284 1.6091 1.3098 -0.0833 0.0351 -0.0403 2 GLU F OE2 3122 N N . HIS C 25 ? 1.4844 1.3496 1.0044 -0.1601 0.0799 -0.0104 3 HIS F N 3123 C CA . HIS C 25 ? 1.4435 1.3538 0.9995 -0.1546 0.0886 -0.0101 3 HIS F CA 3124 C C . HIS C 25 ? 1.4558 1.3843 1.0409 -0.1363 0.0839 -0.0128 3 HIS F C 3125 O O . HIS C 25 ? 1.4416 1.3771 1.0357 -0.1367 0.0810 -0.0138 3 HIS F O 3126 C CB . HIS C 25 ? 1.4460 1.3923 1.0145 -0.1724 0.0982 -0.0093 3 HIS F CB 3127 C CG . HIS C 25 ? 1.4561 1.4474 1.0568 -0.1634 0.1035 -0.0119 3 HIS F CG 3128 N ND1 . HIS C 25 ? 1.4790 1.4816 1.0789 -0.1609 0.1080 -0.0124 3 HIS F ND1 3129 C CD2 . HIS C 25 ? 1.4489 1.4718 1.0780 -0.1552 0.1027 -0.0150 3 HIS F CD2 3130 C CE1 . HIS C 25 ? 1.4440 1.4845 1.0709 -0.1498 0.1083 -0.0164 3 HIS F CE1 3131 N NE2 . HIS C 25 ? 1.4315 1.4829 1.0749 -0.1464 0.1049 -0.0182 3 HIS F NE2 3132 N N . VAL C 26 ? 1.3947 1.3284 0.9913 -0.1216 0.0827 -0.0138 4 VAL F N 3133 C CA . VAL C 26 ? 1.3651 1.3143 0.9843 -0.1081 0.0783 -0.0160 4 VAL F CA 3134 C C . VAL C 26 ? 1.3905 1.3693 1.0309 -0.1047 0.0816 -0.0145 4 VAL F C 3135 O O . VAL C 26 ? 1.3871 1.3679 1.0253 -0.1013 0.0836 -0.0134 4 VAL F O 3136 C CB . VAL C 26 ? 1.4196 1.3483 1.0308 -0.0941 0.0710 -0.0200 4 VAL F CB 3137 C CG1 . VAL C 26 ? 1.3929 1.3424 1.0259 -0.0857 0.0676 -0.0225 4 VAL F CG1 3138 C CG2 . VAL C 26 ? 1.4449 1.3419 1.0296 -0.0932 0.0639 -0.0247 4 VAL F CG2 3139 N N . THR C 27 ? 1.3291 1.3283 0.9866 -0.1047 0.0805 -0.0152 5 THR F N 3140 C CA . THR C 27 ? 1.3127 1.3336 0.9836 -0.0993 0.0793 -0.0158 5 THR F CA 3141 C C . THR C 27 ? 1.3507 1.3749 1.0304 -0.0956 0.0736 -0.0163 5 THR F C 3142 O O . THR C 27 ? 1.3433 1.3631 1.0239 -0.0992 0.0729 -0.0170 5 THR F O 3143 C CB . THR C 27 ? 1.4122 1.4567 1.0875 -0.1059 0.0845 -0.0183 5 THR F CB 3144 O OG1 . THR C 27 ? 1.3974 1.4596 1.0808 -0.0957 0.0796 -0.0216 5 THR F OG1 3145 C CG2 . THR C 27 ? 1.3929 1.4440 1.0716 -0.1170 0.0874 -0.0196 5 THR F CG2 3146 N N . VAL C 28 ? 1.3045 1.3344 0.9865 -0.0887 0.0681 -0.0165 6 VAL F N 3147 C CA . VAL C 28 ? 1.2994 1.3273 0.9823 -0.0885 0.0616 -0.0164 6 VAL F CA 3148 C C . VAL C 28 ? 1.3511 1.3875 1.0328 -0.0850 0.0564 -0.0195 6 VAL F C 3149 O O . VAL C 28 ? 1.3505 1.3908 1.0276 -0.0761 0.0521 -0.0215 6 VAL F O 3150 C CB . VAL C 28 ? 1.3524 1.3680 1.0292 -0.0846 0.0559 -0.0141 6 VAL F CB 3151 C CG1 . VAL C 28 ? 1.3532 1.3654 1.0247 -0.0895 0.0490 -0.0136 6 VAL F CG1 3152 C CG2 . VAL C 28 ? 1.3500 1.3596 1.0276 -0.0852 0.0594 -0.0149 6 VAL F CG2 3153 N N . ILE C 29 ? 1.3066 1.3457 0.9908 -0.0901 0.0556 -0.0213 7 ILE F N 3154 C CA . ILE C 29 ? 1.3107 1.3531 0.9901 -0.0853 0.0486 -0.0265 7 ILE F CA 3155 C C . ILE C 29 ? 1.3721 1.3957 1.0377 -0.0884 0.0398 -0.0249 7 ILE F C 3156 O O . ILE C 29 ? 1.3626 1.3828 1.0309 -0.0980 0.0435 -0.0211 7 ILE F O 3157 C CB . ILE C 29 ? 1.3438 1.4044 1.0346 -0.0882 0.0544 -0.0317 7 ILE F CB 3158 C CG1 . ILE C 29 ? 1.3427 1.4001 1.0402 -0.0982 0.0596 -0.0288 7 ILE F CG1 3159 C CG2 . ILE C 29 ? 1.3501 1.4306 1.0486 -0.0889 0.0622 -0.0341 7 ILE F CG2 3160 C CD1 . ILE C 29 ? 1.4332 1.4988 1.1359 -0.0990 0.0592 -0.0342 7 ILE F CD1 3161 N N . PRO C 30 ? 1.3480 1.3586 0.9952 -0.0810 0.0270 -0.0287 8 PRO F N 3162 C CA . PRO C 30 ? 1.3641 1.3500 0.9903 -0.0885 0.0180 -0.0265 8 PRO F CA 3163 C C . PRO C 30 ? 1.4095 1.3988 1.0417 -0.0969 0.0229 -0.0279 8 PRO F C 3164 O O . PRO C 30 ? 1.3935 1.3984 1.0396 -0.0921 0.0274 -0.0332 8 PRO F O 3165 C CB . PRO C 30 ? 1.4122 1.3779 1.0111 -0.0756 0.0004 -0.0322 8 PRO F CB 3166 C CG . PRO C 30 ? 1.4604 1.4456 1.0695 -0.0603 0.0007 -0.0369 8 PRO F CG 3167 C CD . PRO C 30 ? 1.3767 1.3932 1.0169 -0.0656 0.0184 -0.0368 8 PRO F CD 3168 N N . ASN C 31 ? 1.3751 1.3524 0.9971 -0.1106 0.0224 -0.0237 9 ASN F N 3169 C CA . ASN C 31 ? 1.3703 1.3503 0.9961 -0.1188 0.0266 -0.0246 9 ASN F CA 3170 C C . ASN C 31 ? 1.4437 1.4014 1.0472 -0.1138 0.0151 -0.0303 9 ASN F C 3171 O O . ASN C 31 ? 1.4628 1.3946 1.0388 -0.1234 0.0071 -0.0289 9 ASN F O 3172 C CB . ASN C 31 ? 1.3803 1.3623 1.0029 -0.1356 0.0306 -0.0199 9 ASN F CB 3173 C CG . ASN C 31 ? 1.6536 1.6445 1.2829 -0.1435 0.0362 -0.0210 9 ASN F CG 3174 O OD1 . ASN C 31 ? 1.5636 1.5643 1.2086 -0.1363 0.0404 -0.0238 9 ASN F OD1 3175 N ND2 . ASN C 31 ? 1.5632 1.5530 1.1801 -0.1597 0.0363 -0.0191 9 ASN F ND2 3176 N N . THR C 32 ? 1.3968 1.3641 1.0091 -0.0989 0.0135 -0.0381 10 THR F N 3177 C CA . THR C 32 ? 1.4159 1.3661 1.0091 -0.0885 0.0012 -0.0477 10 THR F CA 3178 C C . THR C 32 ? 1.4468 1.4232 1.0663 -0.0824 0.0093 -0.0546 10 THR F C 3179 O O . THR C 32 ? 1.4216 1.4273 1.0645 -0.0777 0.0172 -0.0568 10 THR F O 3180 C CB . THR C 32 ? 1.5402 1.4752 1.1092 -0.0726 -0.0151 -0.0547 10 THR F CB 3181 O OG1 . THR C 32 ? 1.5535 1.4652 1.1004 -0.0805 -0.0215 -0.0462 10 THR F OG1 3182 C CG2 . THR C 32 ? 1.5521 1.4603 1.0906 -0.0596 -0.0330 -0.0670 10 THR F CG2 3183 N N . VAL C 33 ? 1.4130 1.3772 1.0263 -0.0845 0.0073 -0.0575 11 VAL F N 3184 C CA . VAL C 33 ? 1.3958 1.3798 1.0309 -0.0801 0.0135 -0.0637 11 VAL F CA 3185 C C . VAL C 33 ? 1.4582 1.4465 1.0870 -0.0613 0.0026 -0.0800 11 VAL F C 3186 O O . VAL C 33 ? 1.4820 1.4417 1.0785 -0.0511 -0.0140 -0.0874 11 VAL F O 3187 C CB . VAL C 33 ? 1.4480 1.4172 1.0794 -0.0898 0.0160 -0.0595 11 VAL F CB 3188 C CG1 . VAL C 33 ? 1.4377 1.4165 1.0829 -0.0821 0.0172 -0.0678 11 VAL F CG1 3189 C CG2 . VAL C 33 ? 1.4272 1.4096 1.0744 -0.1045 0.0283 -0.0477 11 VAL F CG2 3190 N N . GLY C 34 ? 1.3967 1.4209 1.0535 -0.0575 0.0109 -0.0866 12 GLY F N 3191 C CA . GLY C 34 ? 1.4016 1.4445 1.0599 -0.0404 0.0030 -0.1051 12 GLY F CA 3192 C C . GLY C 34 ? 1.4574 1.5217 1.1140 -0.0289 -0.0020 -0.1136 12 GLY F C 3193 O O . GLY C 34 ? 1.4644 1.5414 1.1138 -0.0104 -0.0137 -0.1324 12 GLY F O 3194 N N . VAL C 35 ? 1.4064 1.4763 1.0688 -0.0379 0.0057 -0.1015 13 VAL F N 3195 C CA . VAL C 35 ? 1.4073 1.4979 1.0687 -0.0277 0.0020 -0.1077 13 VAL F CA 3196 C C . VAL C 35 ? 1.4332 1.5621 1.1239 -0.0409 0.0206 -0.1018 13 VAL F C 3197 O O . VAL C 35 ? 1.4176 1.5353 1.1136 -0.0554 0.0306 -0.0861 13 VAL F O 3198 C CB . VAL C 35 ? 1.4772 1.5326 1.1099 -0.0233 -0.0100 -0.1005 13 VAL F CB 3199 C CG1 . VAL C 35 ? 1.4785 1.5557 1.1090 -0.0088 -0.0160 -0.1086 13 VAL F CG1 3200 C CG2 . VAL C 35 ? 1.5087 1.5174 1.1034 -0.0152 -0.0295 -0.1049 13 VAL F CG2 3201 N N . PRO C 36 ? 1.3847 1.5584 1.0915 -0.0370 0.0247 -0.1154 14 PRO F N 3202 C CA . PRO C 36 ? 1.3670 1.5712 1.0939 -0.0538 0.0419 -0.1090 14 PRO F CA 3203 C C . PRO C 36 ? 1.4188 1.6264 1.1399 -0.0514 0.0425 -0.1044 14 PRO F C 3204 O O . PRO C 36 ? 1.4232 1.6422 1.1346 -0.0332 0.0310 -0.1161 14 PRO F O 3205 C CB . PRO C 36 ? 1.3853 1.6387 1.1284 -0.0530 0.0454 -0.1269 14 PRO F CB 3206 C CG . PRO C 36 ? 1.4536 1.7018 1.1864 -0.0313 0.0288 -0.1442 14 PRO F CG 3207 C CD . PRO C 36 ? 1.4142 1.6141 1.1190 -0.0181 0.0136 -0.1385 14 PRO F CD 3208 N N . TYR C 37 ? 1.3692 1.5644 1.0938 -0.0674 0.0540 -0.0883 15 TYR F N 3209 C CA . TYR C 37 ? 1.3692 1.5630 1.0885 -0.0664 0.0558 -0.0822 15 TYR F CA 3210 C C . TYR C 37 ? 1.4139 1.6354 1.1434 -0.0829 0.0708 -0.0806 15 TYR F C 3211 O O . TYR C 37 ? 1.4056 1.6238 1.1404 -0.1008 0.0806 -0.0743 15 TYR F O 3212 C CB . TYR C 37 ? 1.3857 1.5370 1.0946 -0.0697 0.0543 -0.0666 15 TYR F CB 3213 C CG . TYR C 37 ? 1.4181 1.5388 1.1113 -0.0596 0.0403 -0.0664 15 TYR F CG 3214 C CD1 . TYR C 37 ? 1.4586 1.5689 1.1334 -0.0428 0.0251 -0.0719 15 TYR F CD1 3215 C CD2 . TYR C 37 ? 1.4261 1.5253 1.1183 -0.0681 0.0411 -0.0604 15 TYR F CD2 3216 C CE1 . TYR C 37 ? 1.4864 1.5611 1.1383 -0.0373 0.0107 -0.0710 15 TYR F CE1 3217 C CE2 . TYR C 37 ? 1.4517 1.5211 1.1247 -0.0633 0.0289 -0.0597 15 TYR F CE2 3218 C CZ . TYR C 37 ? 1.5653 1.6199 1.2160 -0.0493 0.0135 -0.0647 15 TYR F CZ 3219 O OH . TYR C 37 ? 1.5996 1.6177 1.2233 -0.0481 0.0000 -0.0633 15 TYR F OH 3220 N N . LYS C 38 ? 1.3739 1.6199 1.1020 -0.0773 0.0715 -0.0862 16 LYS F N 3221 C CA . LYS C 38 ? 1.3736 1.6458 1.1057 -0.0948 0.0855 -0.0853 16 LYS F CA 3222 C C . LYS C 38 ? 1.4259 1.6670 1.1468 -0.1001 0.0896 -0.0708 16 LYS F C 3223 O O . LYS C 38 ? 1.4208 1.6464 1.1346 -0.0838 0.0811 -0.0686 16 LYS F O 3224 C CB . LYS C 38 ? 1.4084 1.7359 1.1466 -0.0862 0.0846 -0.1033 16 LYS F CB 3225 C CG . LYS C 38 ? 1.5951 1.9614 1.3452 -0.0815 0.0812 -0.1216 16 LYS F CG 3226 C CD . LYS C 38 ? 1.7268 2.1362 1.4881 -0.1076 0.0969 -0.1270 16 LYS F CD 3227 C CE . LYS C 38 ? 1.8652 2.2919 1.6385 -0.1103 0.0958 -0.1375 16 LYS F CE 3228 N NZ . LYS C 38 ? 1.9831 2.4385 1.7612 -0.0815 0.0808 -0.1600 16 LYS F NZ 3229 N N . THR C 39 ? 1.3887 1.6173 1.1044 -0.1223 0.1010 -0.0616 17 THR F N 3230 C CA . THR C 39 ? 1.3950 1.5906 1.0963 -0.1274 0.1043 -0.0497 17 THR F CA 3231 C C . THR C 39 ? 1.4597 1.6683 1.1503 -0.1483 0.1161 -0.0490 17 THR F C 3232 O O . THR C 39 ? 1.4628 1.6836 1.1515 -0.1693 0.1234 -0.0505 17 THR F O 3233 C CB . THR C 39 ? 1.4954 1.6452 1.1905 -0.1282 0.1009 -0.0388 17 THR F CB 3234 O OG1 . THR C 39 ? 1.4967 1.6168 1.1784 -0.1262 0.1008 -0.0311 17 THR F OG1 3235 C CG2 . THR C 39 ? 1.4852 1.6256 1.1769 -0.1465 0.1056 -0.0358 17 THR F CG2 3236 N N . LEU C 40 ? 1.4229 1.6276 1.1040 -0.1439 0.1175 -0.0469 18 LEU F N 3237 C CA . LEU C 40 ? 1.4414 1.6543 1.1069 -0.1647 0.1286 -0.0458 18 LEU F CA 3238 C C . LEU C 40 ? 1.5102 1.6659 1.1497 -0.1757 0.1298 -0.0331 18 LEU F C 3239 O O . LEU C 40 ? 1.5022 1.6254 1.1365 -0.1597 0.1236 -0.0276 18 LEU F O 3240 C CB . LEU C 40 ? 1.4406 1.6878 1.1092 -0.1530 0.1293 -0.0531 18 LEU F CB 3241 C CG . LEU C 40 ? 1.5243 1.7872 1.1759 -0.1755 0.1417 -0.0534 18 LEU F CG 3242 C CD1 . LEU C 40 ? 1.5340 1.8486 1.1906 -0.2005 0.1521 -0.0635 18 LEU F CD1 3243 C CD2 . LEU C 40 ? 1.5524 1.8371 1.2058 -0.1574 0.1396 -0.0582 18 LEU F CD2 3244 N N . VAL C 41 ? 1.4898 1.6319 1.1103 -0.2026 0.1361 -0.0297 19 VAL F N 3245 C CA . VAL C 41 ? 1.5175 1.6007 1.1043 -0.2141 0.1346 -0.0201 19 VAL F CA 3246 C C . VAL C 41 ? 1.5936 1.6741 1.1542 -0.2315 0.1428 -0.0190 19 VAL F C 3247 O O . VAL C 41 ? 1.6048 1.7142 1.1575 -0.2576 0.1523 -0.0223 19 VAL F O 3248 C CB . VAL C 41 ? 1.5844 1.6443 1.1570 -0.2324 0.1328 -0.0167 19 VAL F CB 3249 C CG1 . VAL C 41 ? 1.6205 1.6138 1.1510 -0.2402 0.1268 -0.0091 19 VAL F CG1 3250 C CG2 . VAL C 41 ? 1.5520 1.6197 1.1517 -0.2154 0.1257 -0.0185 19 VAL F CG2 3251 N N . ASN C 42 ? 1.5554 1.6036 1.1026 -0.2179 0.1393 -0.0151 20 ASN F N 3252 C CA . ASN C 42 ? 1.5819 1.6211 1.1016 -0.2317 0.1462 -0.0135 20 ASN F CA 3253 C C . ASN C 42 ? 1.6673 1.6317 1.1422 -0.2377 0.1404 -0.0062 20 ASN F C 3254 O O . ASN C 42 ? 1.6572 1.5885 1.1296 -0.2145 0.1325 -0.0044 20 ASN F O 3255 C CB . ASN C 42 ? 1.5713 1.6426 1.1114 -0.2093 0.1469 -0.0176 20 ASN F CB 3256 C CG . ASN C 42 ? 1.8913 1.9660 1.4071 -0.2240 0.1558 -0.0176 20 ASN F CG 3257 O OD1 . ASN C 42 ? 1.8299 1.9468 1.3419 -0.2486 0.1669 -0.0226 20 ASN F OD1 3258 N ND2 . ASN C 42 ? 1.8019 1.8345 1.3005 -0.2099 0.1513 -0.0129 20 ASN F ND2 3259 N N . ARG C 43 ? 1.6635 1.5997 1.1002 -0.2689 0.1428 -0.0030 21 ARG F N 3260 C CA . ARG C 43 ? 1.7109 1.5693 1.0934 -0.2772 0.1346 0.0023 21 ARG F CA 3261 C C . ARG C 43 ? 1.7896 1.6372 1.1394 -0.2942 0.1427 0.0038 21 ARG F C 3262 O O . ARG C 43 ? 1.7953 1.6831 1.1419 -0.3229 0.1555 0.0025 21 ARG F O 3263 C CB . ARG C 43 ? 1.7526 1.5793 1.1029 -0.3028 0.1299 0.0052 21 ARG F CB 3264 C CG . ARG C 43 ? 1.9458 1.6844 1.2384 -0.3024 0.1145 0.0083 21 ARG F CG 3265 C CD . ARG C 43 ? 2.1295 1.8339 1.3819 -0.3308 0.1084 0.0116 21 ARG F CD 3266 N NE . ARG C 43 ? 2.3111 1.9254 1.5000 -0.3280 0.0898 0.0126 21 ARG F NE 3267 C CZ . ARG C 43 ? 2.5559 2.1177 1.6912 -0.3511 0.0789 0.0158 21 ARG F CZ 3268 N NH1 . ARG C 43 ? 2.4012 1.9938 1.5416 -0.3812 0.0865 0.0194 21 ARG F NH1 3269 N NH2 . ARG C 43 ? 2.4493 1.9257 1.5229 -0.3432 0.0585 0.0143 21 ARG F NH2 3270 N N . PRO C 44 ? 1.7586 1.5575 1.0854 -0.2770 0.1361 0.0051 22 PRO F N 3271 C CA . PRO C 44 ? 1.7888 1.5759 1.0833 -0.2922 0.1440 0.0066 22 PRO F CA 3272 C C . PRO C 44 ? 1.8975 1.6499 1.1323 -0.3370 0.1483 0.0105 22 PRO F C 3273 O O . PRO C 44 ? 1.9363 1.6220 1.1257 -0.3468 0.1364 0.0134 22 PRO F O 3274 C CB . PRO C 44 ? 1.8204 1.5494 1.0981 -0.2625 0.1322 0.0067 22 PRO F CB 3275 C CG . PRO C 44 ? 1.8285 1.5695 1.1494 -0.2287 0.1224 0.0037 22 PRO F CG 3276 C CD . PRO C 44 ? 1.7668 1.5228 1.0962 -0.2430 0.1213 0.0039 22 PRO F CD 3277 N N . GLY C 45 ? 1.8568 1.6573 1.0906 -0.3642 0.1644 0.0096 23 GLY F N 3278 C CA . GLY C 45 ? 1.9157 1.6962 1.0940 -0.4138 0.1718 0.0130 23 GLY F CA 3279 C C . GLY C 45 ? 1.9566 1.7739 1.1437 -0.4430 0.1767 0.0122 23 GLY F C 3280 O O . GLY C 45 ? 2.0087 1.8039 1.1456 -0.4879 0.1809 0.0158 23 GLY F O 3281 N N . TYR C 46 ? 1.8455 1.7162 1.0935 -0.4189 0.1754 0.0075 24 TYR F N 3282 C CA . TYR C 46 ? 1.8298 1.7397 1.0955 -0.4390 0.1788 0.0053 24 TYR F CA 3283 C C . TYR C 46 ? 1.8047 1.8157 1.1404 -0.4230 0.1889 -0.0052 24 TYR F C 3284 O O . TYR C 46 ? 1.7535 1.7887 1.1277 -0.3855 0.1867 -0.0091 24 TYR F O 3285 C CB . TYR C 46 ? 1.8446 1.7002 1.1043 -0.4228 0.1616 0.0094 24 TYR F CB 3286 C CG . TYR C 46 ? 1.9394 1.6941 1.1237 -0.4389 0.1476 0.0170 24 TYR F CG 3287 C CD1 . TYR C 46 ? 2.0181 1.7415 1.1556 -0.4784 0.1447 0.0215 24 TYR F CD1 3288 C CD2 . TYR C 46 ? 1.9676 1.6553 1.1243 -0.4130 0.1348 0.0184 24 TYR F CD2 3289 C CE1 . TYR C 46 ? 2.1029 1.7253 1.1630 -0.4911 0.1276 0.0275 24 TYR F CE1 3290 C CE2 . TYR C 46 ? 2.0515 1.6422 1.1336 -0.4236 0.1184 0.0225 24 TYR F CE2 3291 C CZ . TYR C 46 ? 2.2025 1.7582 1.2341 -0.4623 0.1139 0.0272 24 TYR F CZ 3292 O OH . TYR C 46 ? 2.2945 1.7471 1.2446 -0.4713 0.0939 0.0304 24 TYR F OH 3293 N N . SER C 47 ? 1.7539 1.8211 1.1026 -0.4511 0.1982 -0.0108 25 SER F N 3294 C CA . SER C 47 ? 1.6948 1.8589 1.1038 -0.4382 0.2062 -0.0243 25 SER F CA 3295 C C . SER C 47 ? 1.6837 1.8525 1.1392 -0.3945 0.1945 -0.0265 25 SER F C 3296 O O . SER C 47 ? 1.6830 1.8020 1.1289 -0.3906 0.1842 -0.0195 25 SER F O 3297 C CB . SER C 47 ? 1.7559 1.9706 1.1631 -0.4793 0.2168 -0.0306 25 SER F CB 3298 O OG . SER C 47 ? 1.8198 2.1340 1.2805 -0.4674 0.2246 -0.0476 25 SER F OG 3299 N N . PRO C 48 ? 1.5881 1.8143 1.0897 -0.3619 0.1947 -0.0365 26 PRO F N 3300 C CA . PRO C 48 ? 1.5385 1.7649 1.0777 -0.3234 0.1831 -0.0383 26 PRO F CA 3301 C C . PRO C 48 ? 1.5681 1.8135 1.1261 -0.3295 0.1812 -0.0422 26 PRO F C 3302 O O . PRO C 48 ? 1.5746 1.8617 1.1318 -0.3583 0.1902 -0.0488 26 PRO F O 3303 C CB . PRO C 48 ? 1.5258 1.8128 1.0998 -0.2951 0.1835 -0.0501 26 PRO F CB 3304 C CG . PRO C 48 ? 1.6085 1.9041 1.1595 -0.3098 0.1927 -0.0501 26 PRO F CG 3305 C CD . PRO C 48 ? 1.5968 1.8861 1.1132 -0.3578 0.2036 -0.0470 26 PRO F CD 3306 N N . MET C 49 ? 1.4966 1.7121 1.0706 -0.3032 0.1695 -0.0384 27 MET F N 3307 C CA . MET C 49 ? 1.4776 1.7013 1.0689 -0.3034 0.1655 -0.0408 27 MET F CA 3308 C C . MET C 49 ? 1.4756 1.7223 1.1058 -0.2664 0.1572 -0.0476 27 MET F C 3309 O O . MET C 49 ? 1.4576 1.6738 1.0901 -0.2414 0.1493 -0.0426 27 MET F O 3310 C CB . MET C 49 ? 1.5331 1.6843 1.0938 -0.3123 0.1577 -0.0279 27 MET F CB 3311 C CG . MET C 49 ? 1.5751 1.7303 1.1450 -0.3200 0.1546 -0.0289 27 MET F CG 3312 S SD . MET C 49 ? 1.6546 1.7257 1.1909 -0.3188 0.1407 -0.0159 27 MET F SD 3313 C CE . MET C 49 ? 1.6804 1.7097 1.1558 -0.3624 0.1437 -0.0087 27 MET F CE 3314 N N . VAL C 50 ? 1.4075 1.7051 1.0646 -0.2637 0.1579 -0.0597 28 VAL F N 3315 C CA . VAL C 50 ? 1.3690 1.6835 1.0555 -0.2305 0.1482 -0.0676 28 VAL F CA 3316 C C . VAL C 50 ? 1.4027 1.6961 1.0965 -0.2290 0.1424 -0.0647 28 VAL F C 3317 O O . VAL C 50 ? 1.4046 1.7176 1.1003 -0.2487 0.1471 -0.0688 28 VAL F O 3318 C CB . VAL C 50 ? 1.4035 1.7906 1.1131 -0.2185 0.1491 -0.0873 28 VAL F CB 3319 C CG1 . VAL C 50 ? 1.3759 1.7657 1.1046 -0.1825 0.1351 -0.0949 28 VAL F CG1 3320 C CG2 . VAL C 50 ? 1.4109 1.8218 1.1123 -0.2204 0.1549 -0.0903 28 VAL F CG2 3321 N N . LEU C 51 ? 1.3389 1.5942 1.0364 -0.2064 0.1323 -0.0581 29 LEU F N 3322 C CA . LEU C 51 ? 1.3244 1.5581 1.0284 -0.2017 0.1261 -0.0551 29 LEU F CA 3323 C C . LEU C 51 ? 1.3424 1.5886 1.0665 -0.1742 0.1168 -0.0631 29 LEU F C 3324 O O . LEU C 51 ? 1.3292 1.5658 1.0530 -0.1556 0.1109 -0.0622 29 LEU F O 3325 C CB . LEU C 51 ? 1.3361 1.5102 1.0205 -0.2031 0.1218 -0.0406 29 LEU F CB 3326 C CG . LEU C 51 ? 1.4289 1.5726 1.0826 -0.2288 0.1259 -0.0323 29 LEU F CG 3327 C CD1 . LEU C 51 ? 1.4421 1.5299 1.0754 -0.2205 0.1182 -0.0225 29 LEU F CD1 3328 C CD2 . LEU C 51 ? 1.4731 1.6209 1.1222 -0.2497 0.1276 -0.0328 29 LEU F CD2 3329 N N . GLU C 52 ? 1.2855 1.5493 1.0232 -0.1724 0.1144 -0.0709 30 GLU F N 3330 C CA . GLU C 52 ? 1.2654 1.5324 1.0148 -0.1480 0.1038 -0.0790 30 GLU F CA 3331 C C . GLU C 52 ? 1.3010 1.5244 1.0469 -0.1453 0.0988 -0.0681 30 GLU F C 3332 O O . GLU C 52 ? 1.2998 1.5136 1.0447 -0.1592 0.1020 -0.0636 30 GLU F O 3333 C CB . GLU C 52 ? 1.2786 1.5926 1.0432 -0.1447 0.1029 -0.0973 30 GLU F CB 3334 C CG . GLU C 52 ? 1.4071 1.7191 1.1760 -0.1176 0.0891 -0.1081 30 GLU F CG 3335 C CD . GLU C 52 ? 1.6697 2.0243 1.4516 -0.1106 0.0858 -0.1288 30 GLU F CD 3336 O OE1 . GLU C 52 ? 1.6068 1.9600 1.3960 -0.1203 0.0886 -0.1288 30 GLU F OE1 3337 O OE2 . GLU C 52 ? 1.5943 1.9831 1.3781 -0.0929 0.0787 -0.1465 30 GLU F OE2 3338 N N . MET C 53 ? 1.2441 1.4420 0.9859 -0.1286 0.0904 -0.0642 31 MET F N 3339 C CA . MET C 53 ? 1.2340 1.3971 0.9724 -0.1262 0.0860 -0.0555 31 MET F CA 3340 C C . MET C 53 ? 1.2644 1.4228 1.0041 -0.1099 0.0758 -0.0619 31 MET F C 3341 O O . MET C 53 ? 1.2614 1.4227 0.9956 -0.0964 0.0686 -0.0676 31 MET F O 3342 C CB . MET C 53 ? 1.2671 1.4005 0.9945 -0.1265 0.0859 -0.0441 31 MET F CB 3343 C CG . MET C 53 ? 1.3258 1.4518 1.0435 -0.1412 0.0932 -0.0378 31 MET F CG 3344 S SD . MET C 53 ? 1.3849 1.4754 1.0887 -0.1371 0.0906 -0.0283 31 MET F SD 3345 C CE . MET C 53 ? 1.3360 1.4353 1.0427 -0.1218 0.0866 -0.0312 31 MET F CE 3346 N N . GLU C 54 ? 1.2076 1.3545 0.9503 -0.1108 0.0737 -0.0611 32 GLU F N 3347 C CA . GLU C 54 ? 1.2019 1.3370 0.9401 -0.0979 0.0637 -0.0668 32 GLU F CA 3348 C C . GLU C 54 ? 1.2320 1.3403 0.9670 -0.1021 0.0630 -0.0577 32 GLU F C 3349 O O . GLU C 54 ? 1.2211 1.3303 0.9635 -0.1104 0.0679 -0.0542 32 GLU F O 3350 C CB . GLU C 54 ? 1.2207 1.3802 0.9668 -0.0914 0.0608 -0.0820 32 GLU F CB 3351 C CG . GLU C 54 ? 1.3700 1.5147 1.1035 -0.0739 0.0469 -0.0920 32 GLU F CG 3352 C CD . GLU C 54 ? 1.6382 1.7956 1.3782 -0.0671 0.0430 -0.1058 32 GLU F CD 3353 O OE1 . GLU C 54 ? 1.5695 1.7659 1.3240 -0.0678 0.0471 -0.1175 32 GLU F OE1 3354 O OE2 . GLU C 54 ? 1.5728 1.7022 1.3025 -0.0614 0.0356 -0.1060 32 GLU F OE2 3355 N N . LEU C 55 ? 1.1822 1.2678 0.9041 -0.0971 0.0562 -0.0545 33 LEU F N 3356 C CA . LEU C 55 ? 1.1729 1.2395 0.8908 -0.1017 0.0555 -0.0478 33 LEU F CA 3357 C C . LEU C 55 ? 1.2072 1.2684 0.9240 -0.0969 0.0506 -0.0545 33 LEU F C 3358 O O . LEU C 55 ? 1.2132 1.2661 0.9174 -0.0874 0.0415 -0.0630 33 LEU F O 3359 C CB . LEU C 55 ? 1.1824 1.2301 0.8846 -0.1027 0.0508 -0.0427 33 LEU F CB 3360 C CG . LEU C 55 ? 1.2370 1.2867 0.9418 -0.1083 0.0561 -0.0351 33 LEU F CG 3361 C CD1 . LEU C 55 ? 1.2507 1.2860 0.9396 -0.1087 0.0502 -0.0325 33 LEU F CD1 3362 C CD2 . LEU C 55 ? 1.2597 1.3111 0.9717 -0.1148 0.0611 -0.0305 33 LEU F CD2 3363 N N . LEU C 56 ? 1.1428 1.2064 0.8699 -0.1017 0.0550 -0.0517 34 LEU F N 3364 C CA . LEU C 56 ? 1.1368 1.1946 0.8645 -0.0969 0.0511 -0.0575 34 LEU F CA 3365 C C . LEU C 56 ? 1.1789 1.2128 0.8918 -0.0981 0.0466 -0.0536 34 LEU F C 3366 O O . LEU C 56 ? 1.1857 1.2036 0.8861 -0.0918 0.0392 -0.0601 34 LEU F O 3367 C CB . LEU C 56 ? 1.1272 1.1972 0.8711 -0.1016 0.0566 -0.0561 34 LEU F CB 3368 C CG . LEU C 56 ? 1.1835 1.2783 0.9388 -0.1063 0.0618 -0.0603 34 LEU F CG 3369 C CD1 . LEU C 56 ? 1.1831 1.2798 0.9454 -0.1158 0.0659 -0.0549 34 LEU F CD1 3370 C CD2 . LEU C 56 ? 1.2178 1.3305 0.9773 -0.0972 0.0579 -0.0756 34 LEU F CD2 3371 N N . SER C 57 ? 1.1187 1.1510 0.8307 -0.1063 0.0506 -0.0444 35 SER F N 3372 C CA . SER C 57 ? 1.1182 1.1367 0.8167 -0.1120 0.0486 -0.0407 35 SER F CA 3373 C C . SER C 57 ? 1.1462 1.1742 0.8460 -0.1199 0.0529 -0.0343 35 SER F C 3374 O O . SER C 57 ? 1.1289 1.1706 0.8417 -0.1191 0.0574 -0.0320 35 SER F O 3375 C CB . SER C 57 ? 1.1594 1.1757 0.8624 -0.1110 0.0488 -0.0411 35 SER F CB 3376 O OG . SER C 57 ? 1.2544 1.2863 0.9742 -0.1110 0.0536 -0.0374 35 SER F OG 3377 N N . VAL C 58 ? 1.1028 1.1217 0.7856 -0.1281 0.0506 -0.0325 36 VAL F N 3378 C CA . VAL C 58 ? 1.0907 1.1227 0.7738 -0.1364 0.0541 -0.0291 36 VAL F CA 3379 C C . VAL C 58 ? 1.1305 1.1646 0.8040 -0.1468 0.0544 -0.0291 36 VAL F C 3380 O O . VAL C 58 ? 1.1459 1.1594 0.7965 -0.1552 0.0499 -0.0290 36 VAL F O 3381 C CB . VAL C 58 ? 1.1497 1.1742 0.8212 -0.1399 0.0515 -0.0275 36 VAL F CB 3382 C CG1 . VAL C 58 ? 1.1436 1.1851 0.8172 -0.1483 0.0551 -0.0259 36 VAL F CG1 3383 C CG2 . VAL C 58 ? 1.1401 1.1658 0.8207 -0.1294 0.0515 -0.0284 36 VAL F CG2 3384 N N . THR C 59 ? 1.0604 1.1180 0.7478 -0.1458 0.0585 -0.0300 37 THR F N 3385 C CA . THR C 59 ? 1.0558 1.1254 0.7377 -0.1545 0.0598 -0.0317 37 THR F CA 3386 C C . THR C 59 ? 1.0865 1.1849 0.7689 -0.1643 0.0630 -0.0343 37 THR F C 3387 O O . THR C 59 ? 1.0676 1.1853 0.7638 -0.1560 0.0639 -0.0371 37 THR F O 3388 C CB . THR C 59 ? 1.1460 1.2228 0.8414 -0.1433 0.0597 -0.0333 37 THR F CB 3389 O OG1 . THR C 59 ? 1.1420 1.1943 0.8366 -0.1361 0.0568 -0.0323 37 THR F OG1 3390 C CG2 . THR C 59 ? 1.1340 1.2265 0.8248 -0.1501 0.0610 -0.0358 37 THR F CG2 3391 N N . LEU C 60 ? 1.0474 1.1478 0.7115 -0.1829 0.0640 -0.0344 38 LEU F N 3392 C CA . LEU C 60 ? 1.0406 1.1748 0.7038 -0.1968 0.0677 -0.0388 38 LEU F CA 3393 C C . LEU C 60 ? 1.0749 1.2344 0.7361 -0.2055 0.0708 -0.0434 38 LEU F C 3394 O O . LEU C 60 ? 1.0919 1.2360 0.7296 -0.2241 0.0712 -0.0407 38 LEU F O 3395 C CB . LEU C 60 ? 1.0648 1.1814 0.7035 -0.2169 0.0662 -0.0350 38 LEU F CB 3396 C CG . LEU C 60 ? 1.1236 1.2204 0.7626 -0.2091 0.0625 -0.0314 38 LEU F CG 3397 C CD1 . LEU C 60 ? 1.1578 1.2190 0.7631 -0.2257 0.0563 -0.0260 38 LEU F CD1 3398 C CD2 . LEU C 60 ? 1.1399 1.2703 0.7972 -0.2049 0.0657 -0.0364 38 LEU F CD2 3399 N N . GLU C 61 ? 0.9987 1.1936 0.6808 -0.1910 0.0716 -0.0508 39 GLU F N 3400 C CA . GLU C 61 ? 0.9899 1.2161 0.6735 -0.1945 0.0737 -0.0570 39 GLU F CA 3401 C C . GLU C 61 ? 1.0239 1.3061 0.7117 -0.2057 0.0775 -0.0684 39 GLU F C 3402 O O . GLU C 61 ? 1.0029 1.3153 0.7077 -0.1888 0.0747 -0.0777 39 GLU F O 3403 C CB . GLU C 61 ? 0.9906 1.2188 0.6907 -0.1689 0.0690 -0.0593 39 GLU F CB 3404 C CG . GLU C 61 ? 1.1206 1.3686 0.8196 -0.1694 0.0696 -0.0633 39 GLU F CG 3405 C CD . GLU C 61 ? 1.3501 1.6104 1.0643 -0.1430 0.0626 -0.0683 39 GLU F CD 3406 O OE1 . GLU C 61 ? 1.2589 1.5646 0.9788 -0.1371 0.0609 -0.0796 39 GLU F OE1 3407 O OE2 . GLU C 61 ? 1.2661 1.4916 0.9843 -0.1283 0.0577 -0.0619 39 GLU F OE2 3408 N N . PRO C 62 ? 1.0240 1.2020 0.7394 -0.1778 -0.0655 0.0205 40 PRO F N 3409 C CA . PRO C 62 ? 1.0172 1.1918 0.7479 -0.1613 -0.0706 0.0382 40 PRO F CA 3410 C C . PRO C 62 ? 1.0710 1.2011 0.8017 -0.1380 -0.0724 0.0530 40 PRO F C 3411 O O . PRO C 62 ? 1.0662 1.1700 0.7930 -0.1299 -0.0658 0.0443 40 PRO F O 3412 C CB . PRO C 62 ? 1.0048 1.2051 0.7600 -0.1504 -0.0625 0.0216 40 PRO F CB 3413 C CG . PRO C 62 ? 1.0479 1.2429 0.8040 -0.1465 -0.0533 0.0000 40 PRO F CG 3414 C CD . PRO C 62 ? 1.0108 1.2025 0.7431 -0.1665 -0.0549 -0.0034 40 PRO F CD 3415 N N . THR C 63 ? 1.0327 1.1579 0.7688 -0.1270 -0.0811 0.0743 41 THR F N 3416 C CA . THR C 63 ? 1.0462 1.1325 0.7861 -0.1017 -0.0835 0.0873 41 THR F CA 3417 C C . THR C 63 ? 1.0514 1.1449 0.8171 -0.0789 -0.0748 0.0739 41 THR F C 3418 O O . THR C 63 ? 1.0213 1.1493 0.8034 -0.0764 -0.0739 0.0703 41 THR F O 3419 C CB . THR C 63 ? 1.1796 1.2625 0.9166 -0.0965 -0.0972 0.1147 41 THR F CB 3420 O OG1 . THR C 63 ? 1.2059 1.2859 0.9162 -0.1234 -0.1056 0.1267 41 THR F OG1 3421 C CG2 . THR C 63 ? 1.1914 1.2300 0.9313 -0.0688 -0.1003 0.1272 41 THR F CG2 3422 N N . LEU C 64 ? 1.0004 1.0625 0.7671 -0.0659 -0.0679 0.0658 42 LEU F N 3423 C CA . LEU C 64 ? 0.9662 1.0338 0.7543 -0.0477 -0.0598 0.0528 42 LEU F CA 3424 C C . LEU C 64 ? 1.0168 1.0687 0.8185 -0.0230 -0.0623 0.0616 42 LEU F C 3425 O O . LEU C 64 ? 1.0453 1.0630 0.8379 -0.0158 -0.0664 0.0729 42 LEU F O 3426 C CB . LEU C 64 ? 0.9555 1.0100 0.7391 -0.0512 -0.0493 0.0351 42 LEU F CB 3427 C CG . LEU C 64 ? 1.0000 1.0740 0.7736 -0.0710 -0.0453 0.0214 42 LEU F CG 3428 C CD1 . LEU C 64 ? 0.9978 1.0592 0.7662 -0.0712 -0.0361 0.0074 42 LEU F CD1 3429 C CD2 . LEU C 64 ? 0.9999 1.1090 0.7884 -0.0721 -0.0438 0.0122 42 LEU F CD2 3430 N N . SER C 65 ? 0.9396 1.0157 0.7620 -0.0107 -0.0594 0.0545 43 SER F N 3431 C CA . SER C 65 ? 0.9380 1.0113 0.7773 0.0128 -0.0605 0.0571 43 SER F CA 3432 C C . SER C 65 ? 0.9446 1.0287 0.7970 0.0165 -0.0508 0.0385 43 SER F C 3433 O O . SER C 65 ? 0.9147 1.0285 0.7731 0.0103 -0.0488 0.0318 43 SER F O 3434 C CB . SER C 65 ? 0.9871 1.0924 0.8364 0.0203 -0.0695 0.0702 43 SER F CB 3435 O OG . SER C 65 ? 1.1123 1.2187 0.9785 0.0449 -0.0715 0.0719 43 SER F OG 3436 N N . LEU C 66 ? 0.8960 0.9544 0.7502 0.0237 -0.0442 0.0302 44 LEU F N 3437 C CA . LEU C 66 ? 0.8650 0.9324 0.7298 0.0251 -0.0356 0.0141 44 LEU F CA 3438 C C . LEU C 66 ? 0.8950 0.9880 0.7789 0.0386 -0.0370 0.0112 44 LEU F C 3439 O O . LEU C 66 ? 0.9073 0.9951 0.8016 0.0555 -0.0397 0.0145 44 LEU F O 3440 C CB . LEU C 66 ? 0.8754 0.9132 0.7358 0.0255 -0.0276 0.0060 44 LEU F CB 3441 C CG . LEU C 66 ? 0.9115 0.9597 0.7819 0.0247 -0.0188 -0.0093 44 LEU F CG 3442 C CD1 . LEU C 66 ? 0.8920 0.9514 0.7540 0.0102 -0.0154 -0.0157 44 LEU F CD1 3443 C CD2 . LEU C 66 ? 0.9583 0.9819 0.8284 0.0277 -0.0109 -0.0163 44 LEU F CD2 3444 N N . ASP C 67 ? 0.8192 0.9398 0.7065 0.0307 -0.0352 0.0043 45 ASP F N 3445 C CA . ASP C 67 ? 0.8021 0.9523 0.7029 0.0373 -0.0356 -0.0009 45 ASP F CA 3446 C C . ASP C 67 ? 0.8302 0.9762 0.7392 0.0399 -0.0287 -0.0143 45 ASP F C 3447 O O . ASP C 67 ? 0.8293 0.9854 0.7523 0.0527 -0.0289 -0.0187 45 ASP F O 3448 C CB . ASP C 67 ? 0.8098 0.9867 0.7050 0.0232 -0.0357 -0.0028 45 ASP F CB 3449 C CG . ASP C 67 ? 0.9447 1.1448 0.8380 0.0213 -0.0422 0.0086 45 ASP F CG 3450 O OD1 . ASP C 67 ? 0.9684 1.1683 0.8668 0.0343 -0.0488 0.0201 45 ASP F OD1 3451 O OD2 . ASP C 67 ? 1.0087 1.2276 0.8951 0.0066 -0.0406 0.0060 45 ASP F OD2 3452 N N . TYR C 68 ? 0.7649 0.8990 0.6657 0.0279 -0.0228 -0.0212 46 TYR F N 3453 C CA . TYR C 68 ? 0.7480 0.8804 0.6540 0.0258 -0.0162 -0.0325 46 TYR F CA 3454 C C . TYR C 68 ? 0.7800 0.8972 0.6746 0.0147 -0.0116 -0.0353 46 TYR F C 3455 O O . TYR C 68 ? 0.7733 0.8848 0.6569 0.0085 -0.0134 -0.0309 46 TYR F O 3456 C CB . TYR C 68 ? 0.7480 0.9093 0.6604 0.0217 -0.0164 -0.0398 46 TYR F CB 3457 C CG . TYR C 68 ? 0.7593 0.9279 0.6595 0.0084 -0.0177 -0.0386 46 TYR F CG 3458 C CD1 . TYR C 68 ? 0.7850 0.9713 0.6819 0.0062 -0.0219 -0.0338 46 TYR F CD1 3459 C CD2 . TYR C 68 ? 0.7625 0.9206 0.6540 -0.0019 -0.0145 -0.0424 46 TYR F CD2 3460 C CE1 . TYR C 68 ? 0.7913 0.9805 0.6754 -0.0076 -0.0213 -0.0348 46 TYR F CE1 3461 C CE2 . TYR C 68 ? 0.7736 0.9311 0.6529 -0.0123 -0.0155 -0.0419 46 TYR F CE2 3462 C CZ . TYR C 68 ? 0.8710 1.0423 0.7462 -0.0160 -0.0181 -0.0392 46 TYR F CZ 3463 O OH . TYR C 68 ? 0.8907 1.0581 0.7525 -0.0279 -0.0173 -0.0408 46 TYR F OH 3464 N N . ILE C 69 ? 0.7241 0.8405 0.6226 0.0118 -0.0056 -0.0435 47 ILE F N 3465 C CA . ILE C 69 ? 0.7118 0.8222 0.6018 0.0027 -0.0013 -0.0465 47 ILE F CA 3466 C C . ILE C 69 ? 0.7440 0.8702 0.6368 -0.0038 -0.0009 -0.0512 47 ILE F C 3467 O O . ILE C 69 ? 0.7368 0.8782 0.6391 -0.0033 -0.0010 -0.0557 47 ILE F O 3468 C CB . ILE C 69 ? 0.7585 0.8550 0.6461 0.0013 0.0059 -0.0503 47 ILE F CB 3469 C CG1 . ILE C 69 ? 0.7651 0.8672 0.6658 0.0033 0.0119 -0.0590 47 ILE F CG1 3470 C CG2 . ILE C 69 ? 0.7861 0.8616 0.6639 0.0034 0.0048 -0.0444 47 ILE F CG2 3471 C CD1 . ILE C 69 ? 0.8434 0.9587 0.7451 -0.0074 0.0182 -0.0661 47 ILE F CD1 3472 N N . THR C 70 ? 0.6907 0.8140 0.5744 -0.0099 -0.0011 -0.0502 48 THR F N 3473 C CA . THR C 70 ? 0.6812 0.8129 0.5631 -0.0172 -0.0019 -0.0517 48 THR F CA 3474 C C . THR C 70 ? 0.7218 0.8526 0.6004 -0.0204 0.0014 -0.0521 48 THR F C 3475 O O . THR C 70 ? 0.7191 0.8432 0.5931 -0.0174 0.0033 -0.0515 48 THR F O 3476 C CB . THR C 70 ? 0.7824 0.9118 0.6556 -0.0208 -0.0072 -0.0486 48 THR F CB 3477 O OG1 . THR C 70 ? 0.7749 0.9112 0.6447 -0.0302 -0.0084 -0.0497 48 THR F OG1 3478 C CG2 . THR C 70 ? 0.7719 0.8863 0.6351 -0.0191 -0.0087 -0.0459 48 THR F CG2 3479 N N . CYS C 71 ? 0.6691 0.8110 0.5491 -0.0280 0.0018 -0.0531 49 CYS F N 3480 C CA . CYS C 71 ? 0.6620 0.8109 0.5399 -0.0323 0.0044 -0.0522 49 CYS F CA 3481 C C . CYS C 71 ? 0.7089 0.8664 0.5837 -0.0421 0.0004 -0.0489 49 CYS F C 3482 O O . CYS C 71 ? 0.7079 0.8626 0.5789 -0.0465 -0.0041 -0.0481 49 CYS F O 3483 C CB . CYS C 71 ? 0.6601 0.8197 0.5462 -0.0352 0.0133 -0.0591 49 CYS F CB 3484 S SG . CYS C 71 ? 0.7067 0.8780 0.6077 -0.0383 0.0172 -0.0685 49 CYS F SG 3485 N N . GLU C 72 ? 0.6613 0.8312 0.5353 -0.0477 0.0019 -0.0463 50 GLU F N 3486 C CA . GLU C 72 ? 0.6639 0.8429 0.5330 -0.0597 -0.0029 -0.0409 50 GLU F CA 3487 C C . GLU C 72 ? 0.7001 0.9024 0.5794 -0.0732 0.0012 -0.0498 50 GLU F C 3488 O O . GLU C 72 ? 0.6843 0.8998 0.5761 -0.0730 0.0097 -0.0594 50 GLU F O 3489 C CB . GLU C 72 ? 0.6836 0.8746 0.5500 -0.0611 -0.0031 -0.0340 50 GLU F CB 3490 C CG . GLU C 72 ? 0.8425 1.0316 0.6979 -0.0701 -0.0120 -0.0226 50 GLU F CG 3491 C CD . GLU C 72 ? 1.1351 1.3483 0.9905 -0.0769 -0.0126 -0.0150 50 GLU F CD 3492 O OE1 . GLU C 72 ? 1.0891 1.3328 0.9555 -0.0854 -0.0035 -0.0224 50 GLU F OE1 3493 O OE2 . GLU C 72 ? 1.0857 1.2874 0.9292 -0.0753 -0.0221 -0.0013 50 GLU F OE2 3494 N N . TYR C 73 ? 0.6612 0.8677 0.5339 -0.0854 -0.0046 -0.0483 51 TYR F N 3495 C CA . TYR C 73 ? 0.6494 0.8848 0.5318 -0.0997 -0.0016 -0.0591 51 TYR F CA 3496 C C . TYR C 73 ? 0.6873 0.9497 0.5717 -0.1174 0.0001 -0.0584 51 TYR F C 3497 O O . TYR C 73 ? 0.6887 0.9449 0.5632 -0.1187 -0.0039 -0.0459 51 TYR F O 3498 C CB . TYR C 73 ? 0.6751 0.9095 0.5474 -0.1082 -0.0080 -0.0601 51 TYR F CB 3499 C CG . TYR C 73 ? 0.7191 0.9397 0.5685 -0.1221 -0.0170 -0.0478 51 TYR F CG 3500 C CD1 . TYR C 73 ? 0.7496 0.9910 0.5935 -0.1437 -0.0198 -0.0456 51 TYR F CD1 3501 C CD2 . TYR C 73 ? 0.7478 0.9334 0.5794 -0.1156 -0.0226 -0.0391 51 TYR F CD2 3502 C CE1 . TYR C 73 ? 0.7866 1.0094 0.6058 -0.1572 -0.0292 -0.0320 51 TYR F CE1 3503 C CE2 . TYR C 73 ? 0.7870 0.9517 0.5945 -0.1282 -0.0307 -0.0279 51 TYR F CE2 3504 C CZ . TYR C 73 ? 0.8894 1.0704 0.6896 -0.1486 -0.0347 -0.0231 51 TYR F CZ 3505 O OH . TYR C 73 ? 0.9374 1.0923 0.7105 -0.1618 -0.0438 -0.0096 51 TYR F OH 3506 N N . LYS C 74 ? 0.5881 0.7725 0.8571 -0.0048 0.0344 0.1515 52 LYS F N 3507 C CA . LYS C 74 ? 0.5682 0.7068 0.8529 0.0015 0.0334 0.1396 52 LYS F CA 3508 C C . LYS C 74 ? 0.6016 0.7333 0.8846 0.0043 0.0254 0.1367 52 LYS F C 3509 O O . LYS C 74 ? 0.5995 0.7455 0.8878 0.0082 0.0233 0.1579 52 LYS F O 3510 C CB . LYS C 74 ? 0.6012 0.7189 0.9117 0.0081 0.0411 0.1571 52 LYS F CB 3511 C CG . LYS C 74 ? 0.7716 0.8510 1.0971 0.0116 0.0410 0.1404 52 LYS F CG 3512 C CD . LYS C 74 ? 0.9035 0.9658 1.2596 0.0162 0.0504 0.1545 52 LYS F CD 3513 C CE . LYS C 74 ? 1.0341 1.0681 1.4033 0.0174 0.0499 0.1352 52 LYS F CE 3514 N NZ . LYS C 74 ? 1.1548 1.1733 1.5589 0.0190 0.0622 0.1417 52 LYS F NZ 3515 N N . THR C 75 ? 0.5442 0.6562 0.8227 0.0028 0.0216 0.1127 53 THR F N 3516 C CA . THR C 75 ? 0.5336 0.6370 0.8112 0.0048 0.0153 0.1086 53 THR F CA 3517 C C . THR C 75 ? 0.5702 0.6424 0.8641 0.0121 0.0162 0.1118 53 THR F C 3518 O O . THR C 75 ? 0.5596 0.6108 0.8567 0.0127 0.0165 0.0979 53 THR F O 3519 C CB . THR C 75 ? 0.6301 0.7315 0.8984 -0.0012 0.0132 0.0844 53 THR F CB 3520 O OG1 . THR C 75 ? 0.6422 0.7752 0.8989 -0.0104 0.0156 0.0759 53 THR F OG1 3521 C CG2 . THR C 75 ? 0.6008 0.6980 0.8685 -0.0007 0.0080 0.0818 53 THR F CG2 3522 N N . VAL C 76 ? 0.5233 0.5969 0.8303 0.0172 0.0175 0.1301 54 VAL F N 3523 C CA . VAL C 76 ? 0.5145 0.5628 0.8406 0.0221 0.0212 0.1295 54 VAL F CA 3524 C C . VAL C 76 ? 0.5547 0.5935 0.8747 0.0223 0.0157 0.1179 54 VAL F C 3525 O O . VAL C 76 ? 0.5500 0.6010 0.8680 0.0231 0.0123 0.1252 54 VAL F O 3526 C CB . VAL C 76 ? 0.5701 0.6200 0.9228 0.0277 0.0292 0.1525 54 VAL F CB 3527 C CG1 . VAL C 76 ? 0.5650 0.5903 0.9411 0.0305 0.0355 0.1448 54 VAL F CG1 3528 C CG2 . VAL C 76 ? 0.5760 0.6319 0.9378 0.0272 0.0369 0.1647 54 VAL F CG2 3529 N N . ILE C 77 ? 0.5046 0.5260 0.8218 0.0212 0.0147 0.1012 55 ILE F N 3530 C CA . ILE C 77 ? 0.4971 0.5109 0.8081 0.0210 0.0107 0.0920 55 ILE F CA 3531 C C . ILE C 77 ? 0.5424 0.5438 0.8654 0.0220 0.0146 0.0849 55 ILE F C 3532 O O . ILE C 77 ? 0.5367 0.5338 0.8594 0.0204 0.0145 0.0749 55 ILE F O 3533 C CB . ILE C 77 ? 0.5351 0.5476 0.8318 0.0182 0.0059 0.0810 55 ILE F CB 3534 C CG1 . ILE C 77 ? 0.5444 0.5718 0.8330 0.0143 0.0053 0.0804 55 ILE F CG1 3535 C CG2 . ILE C 77 ? 0.5425 0.5502 0.8349 0.0181 0.0031 0.0775 55 ILE F CG2 3536 C CD1 . ILE C 77 ? 0.6403 0.6647 0.9278 0.0125 0.0068 0.0701 55 ILE F CD1 3537 N N . PRO C 78 ? 0.4980 0.4974 0.8334 0.0237 0.0185 0.0881 56 PRO F N 3538 C CA . PRO C 78 ? 0.4970 0.4891 0.8446 0.0220 0.0243 0.0755 56 PRO F CA 3539 C C . PRO C 78 ? 0.5442 0.5387 0.8744 0.0193 0.0188 0.0646 56 PRO F C 3540 O O . PRO C 78 ? 0.5353 0.5318 0.8485 0.0197 0.0117 0.0682 56 PRO F O 3541 C CB . PRO C 78 ? 0.5223 0.5125 0.8940 0.0251 0.0327 0.0832 56 PRO F CB 3542 C CG . PRO C 78 ? 0.5758 0.5759 0.9381 0.0282 0.0263 0.0981 56 PRO F CG 3543 C CD . PRO C 78 ? 0.5176 0.5254 0.8587 0.0266 0.0185 0.1014 56 PRO F CD 3544 N N . SER C 79 ? 0.5053 0.5020 0.8420 0.0157 0.0235 0.0510 57 SER F N 3545 C CA . SER C 79 ? 0.5045 0.5104 0.8250 0.0126 0.0193 0.0435 57 SER F CA 3546 C C . SER C 79 ? 0.5530 0.5575 0.8666 0.0143 0.0178 0.0513 57 SER F C 3547 O O . SER C 79 ? 0.5466 0.5475 0.8754 0.0159 0.0238 0.0540 57 SER F O 3548 C CB . SER C 79 ? 0.5559 0.5720 0.8861 0.0061 0.0266 0.0248 57 SER F CB 3549 O OG . SER C 79 ? 0.6654 0.6877 1.0014 0.0026 0.0271 0.0147 57 SER F OG 3550 N N . PRO C 80 ? 0.5109 0.5185 0.8067 0.0145 0.0111 0.0567 58 PRO F N 3551 C CA . PRO C 80 ? 0.5084 0.5150 0.8010 0.0148 0.0112 0.0627 58 PRO F CA 3552 C C . PRO C 80 ? 0.5644 0.5785 0.8595 0.0115 0.0173 0.0549 58 PRO F C 3553 O O . PRO C 80 ? 0.5643 0.5902 0.8530 0.0075 0.0185 0.0461 58 PRO F O 3554 C CB . PRO C 80 ? 0.5317 0.5376 0.8116 0.0151 0.0055 0.0696 58 PRO F CB 3555 C CG . PRO C 80 ? 0.5906 0.6033 0.8654 0.0153 0.0025 0.0677 58 PRO F CG 3556 C CD . PRO C 80 ? 0.5316 0.5442 0.8154 0.0147 0.0047 0.0590 58 PRO F CD 3557 N N . TYR C 81 ? 0.5227 0.5347 0.8284 0.0124 0.0215 0.0573 59 TYR F N 3558 C CA . TYR C 81 ? 0.5278 0.5471 0.8396 0.0091 0.0295 0.0484 59 TYR F CA 3559 C C . TYR C 81 ? 0.5832 0.6100 0.8771 0.0060 0.0272 0.0523 59 TYR F C 3560 O O . TYR C 81 ? 0.5743 0.5976 0.8690 0.0071 0.0259 0.0606 59 TYR F O 3561 C CB . TYR C 81 ? 0.5408 0.5562 0.8782 0.0125 0.0364 0.0507 59 TYR F CB 3562 C CG . TYR C 81 ? 0.5702 0.5927 0.9189 0.0091 0.0468 0.0397 59 TYR F CG 3563 C CD1 . TYR C 81 ? 0.6040 0.6334 0.9597 0.0032 0.0567 0.0200 59 TYR F CD1 3564 C CD2 . TYR C 81 ? 0.5791 0.6045 0.9336 0.0105 0.0479 0.0462 59 TYR F CD2 3565 C CE1 . TYR C 81 ? 0.6212 0.6599 0.9884 -0.0014 0.0684 0.0062 59 TYR F CE1 3566 C CE2 . TYR C 81 ? 0.5974 0.6302 0.9644 0.0072 0.0589 0.0351 59 TYR F CE2 3567 C CZ . TYR C 81 ? 0.6994 0.7385 1.0725 0.0012 0.0697 0.0147 59 TYR F CZ 3568 O OH . TYR C 81 ? 0.7209 0.7700 1.1073 -0.0035 0.0827 0.0001 59 TYR F OH 3569 N N . VAL C 82 ? 0.5500 0.5908 0.8292 0.0016 0.0270 0.0474 60 VAL F N 3570 C CA . VAL C 82 ? 0.5568 0.6090 0.8202 -0.0011 0.0262 0.0554 60 VAL F CA 3571 C C . VAL C 82 ? 0.6174 0.6835 0.8838 -0.0070 0.0362 0.0437 60 VAL F C 3572 O O . VAL C 82 ? 0.6192 0.7044 0.8827 -0.0130 0.0411 0.0283 60 VAL F O 3573 C CB . VAL C 82 ? 0.6126 0.6804 0.8595 -0.0018 0.0199 0.0625 60 VAL F CB 3574 C CG1 . VAL C 82 ? 0.6214 0.7023 0.8558 -0.0035 0.0204 0.0776 60 VAL F CG1 3575 C CG2 . VAL C 82 ? 0.6023 0.6556 0.8520 0.0041 0.0122 0.0715 60 VAL F CG2 3576 N N . LYS C 83 ? 0.5764 0.6354 0.8510 -0.0062 0.0401 0.0480 61 LYS F N 3577 C CA . LYS C 83 ? 0.5837 0.6551 0.8646 -0.0114 0.0510 0.0369 61 LYS F CA 3578 C C . LYS C 83 ? 0.6524 0.7423 0.9126 -0.0168 0.0523 0.0448 61 LYS F C 3579 O O . LYS C 83 ? 0.6459 0.7284 0.9043 -0.0154 0.0508 0.0600 61 LYS F O 3580 C CB . LYS C 83 ? 0.6072 0.6665 0.9114 -0.0076 0.0550 0.0384 61 LYS F CB 3581 C CG . LYS C 83 ? 0.7889 0.8583 1.1115 -0.0113 0.0689 0.0222 61 LYS F CG 3582 C CD . LYS C 83 ? 0.9075 0.9695 1.2564 -0.0062 0.0718 0.0277 61 LYS F CD 3583 C CE . LYS C 83 ? 1.0583 1.1275 1.4354 -0.0079 0.0875 0.0113 61 LYS F CE 3584 N NZ . LYS C 83 ? 1.1937 1.2809 1.5581 -0.0170 0.0966 0.0011 61 LYS F NZ 3585 N N . CYS C 84 ? 0.6292 0.7466 0.8751 -0.0239 0.0557 0.0347 62 CYS F N 3586 C CA . CYS C 84 ? 0.6474 0.7918 0.8718 -0.0297 0.0576 0.0448 62 CYS F CA 3587 C C . CYS C 84 ? 0.7099 0.8619 0.9408 -0.0352 0.0701 0.0362 62 CYS F C 3588 O O . CYS C 84 ? 0.7047 0.8594 0.9519 -0.0389 0.0799 0.0124 62 CYS F O 3589 C CB . CYS C 84 ? 0.6657 0.8472 0.8712 -0.0366 0.0559 0.0362 62 CYS F CB 3590 S SG . CYS C 84 ? 0.7091 0.8870 0.9090 -0.0300 0.0412 0.0475 62 CYS F SG 3591 N N . CYS C 85 ? 0.6786 0.8325 0.9022 -0.0356 0.0713 0.0559 63 CYS F N 3592 C CA . CYS C 85 ? 0.6869 0.8488 0.9159 -0.0410 0.0833 0.0521 63 CYS F CA 3593 C C . CYS C 85 ? 0.7232 0.8606 0.9822 -0.0371 0.0878 0.0412 63 CYS F C 3594 O O . CYS C 85 ? 0.7212 0.8677 0.9913 -0.0416 0.0993 0.0307 63 CYS F O 3595 C CB . CYS C 85 ? 0.7109 0.9136 0.9254 -0.0524 0.0939 0.0346 63 CYS F CB 3596 S SG . CYS C 85 ? 0.7810 1.0273 0.9593 -0.0577 0.0869 0.0505 63 CYS F SG 3597 N N . GLY C 86 ? 0.6671 0.7783 0.9396 -0.0287 0.0786 0.0454 64 GLY F N 3598 C CA . GLY C 86 ? 0.6539 0.7487 0.9546 -0.0237 0.0799 0.0408 64 GLY F CA 3599 C C . GLY C 86 ? 0.6943 0.7688 1.0010 -0.0169 0.0683 0.0542 64 GLY F C 3600 O O . GLY C 86 ? 0.6876 0.7550 0.9794 -0.0154 0.0601 0.0645 64 GLY F O 3601 N N . THR C 87 ? 0.6464 0.7155 0.9768 -0.0131 0.0682 0.0537 65 THR F N 3602 C CA . THR C 87 ? 0.6350 0.6943 0.9721 -0.0088 0.0579 0.0630 65 THR F CA 3603 C C . THR C 87 ? 0.6798 0.7359 1.0327 -0.0016 0.0541 0.0613 65 THR F C 3604 O O . THR C 87 ? 0.6722 0.7341 1.0495 0.0017 0.0603 0.0576 65 THR F O 3605 C CB . THR C 87 ? 0.7392 0.8041 1.0898 -0.0117 0.0593 0.0666 65 THR F CB 3606 O OG1 . THR C 87 ? 0.7528 0.8196 1.0922 -0.0186 0.0660 0.0696 65 THR F OG1 3607 C CG2 . THR C 87 ? 0.7138 0.7762 1.0685 -0.0110 0.0494 0.0720 65 THR F CG2 3608 N N . ALA C 88 ? 0.6361 0.6836 0.9787 0.0012 0.0455 0.0658 66 ALA F N 3609 C CA . ALA C 88 ? 0.6285 0.6738 0.9854 0.0079 0.0424 0.0681 66 ALA F CA 3610 C C . ALA C 88 ? 0.6763 0.7318 1.0481 0.0110 0.0362 0.0781 66 ALA F C 3611 O O . ALA C 88 ? 0.6698 0.7308 1.0349 0.0064 0.0321 0.0797 66 ALA F O 3612 C CB . ALA C 88 ? 0.6361 0.6718 0.9760 0.0087 0.0360 0.0691 66 ALA F CB 3613 N N . GLU C 89 ? 0.6351 0.6967 1.0301 0.0183 0.0365 0.0855 67 GLU F N 3614 C CA . GLU C 89 ? 0.6310 0.7128 1.0407 0.0217 0.0294 0.0986 67 GLU F CA 3615 C C . GLU C 89 ? 0.6760 0.7627 1.0883 0.0273 0.0232 0.1111 67 GLU F C 3616 O O . GLU C 89 ? 0.6721 0.7484 1.0985 0.0332 0.0291 0.1144 67 GLU F O 3617 C CB . GLU C 89 ? 0.6510 0.7470 1.0935 0.0263 0.0359 0.1033 67 GLU F CB 3618 C CG . GLU C 89 ? 0.8044 0.9068 1.2434 0.0191 0.0383 0.0947 67 GLU F CG 3619 C CD . GLU C 89 ? 1.1059 1.2255 1.5796 0.0235 0.0444 0.0991 67 GLU F CD 3620 O OE1 . GLU C 89 ? 1.0429 1.1890 1.5310 0.0258 0.0364 0.1109 67 GLU F OE1 3621 O OE2 . GLU C 89 ? 1.0557 1.1666 1.5436 0.0241 0.0575 0.0896 67 GLU F OE2 3622 N N . CYS C 90 ? 0.6291 0.7338 1.0292 0.0241 0.0127 0.1164 68 CYS F N 3623 C CA . CYS C 90 ? 0.6255 0.7428 1.0236 0.0275 0.0061 0.1290 68 CYS F CA 3624 C C . CYS C 90 ? 0.6711 0.8154 1.0991 0.0365 0.0051 0.1515 68 CYS F C 3625 O O . CYS C 90 ? 0.6659 0.8366 1.1069 0.0363 0.0017 0.1570 68 CYS F O 3626 C CB . CYS C 90 ? 0.6294 0.7604 1.0036 0.0184 -0.0026 0.1218 68 CYS F CB 3627 S SG . CYS C 90 ? 0.6786 0.7779 1.0257 0.0129 -0.0011 0.1058 68 CYS F SG 3628 N N . LYS C 91 ? 0.6255 0.7646 1.0679 0.0446 0.0087 0.1662 69 LYS F N 3629 C CA . LYS C 91 ? 0.6261 0.7900 1.1027 0.0555 0.0094 0.1946 69 LYS F CA 3630 C C . LYS C 91 ? 0.6731 0.8663 1.1372 0.0557 -0.0002 0.2130 69 LYS F C 3631 O O . LYS C 91 ? 0.6674 0.8461 1.1075 0.0511 -0.0011 0.2047 69 LYS F O 3632 C CB . LYS C 91 ? 0.6640 0.8020 1.1789 0.0652 0.0251 0.2005 69 LYS F CB 3633 C CG . LYS C 91 ? 0.8640 0.9713 1.3716 0.0641 0.0321 0.1918 69 LYS F CG 3634 C CD . LYS C 91 ? 1.0025 1.0870 1.5556 0.0715 0.0505 0.1930 69 LYS F CD 3635 C CE . LYS C 91 ? 1.1494 1.2409 1.7381 0.0821 0.0561 0.2239 69 LYS F CE 3636 N NZ . LYS C 91 ? 1.2668 1.3934 1.8862 0.0928 0.0524 0.2574 69 LYS F NZ 3637 N N . ASP C 92 ? 0.6309 0.8701 1.1108 0.0603 -0.0075 0.2381 70 ASP F N 3638 C CA . ASP C 92 ? 0.6335 0.9137 1.1012 0.0596 -0.0171 0.2584 70 ASP F CA 3639 C C . ASP C 92 ? 0.6810 0.9496 1.1711 0.0707 -0.0087 0.2845 70 ASP F C 3640 O O . ASP C 92 ? 0.6821 0.9572 1.2161 0.0840 -0.0018 0.3129 70 ASP F O 3641 C CB . ASP C 92 ? 0.6629 1.0054 1.1411 0.0604 -0.0283 0.2782 70 ASP F CB 3642 C CG . ASP C 92 ? 0.8092 1.2064 1.2668 0.0555 -0.0398 0.2942 70 ASP F CG 3643 O OD1 . ASP C 92 ? 0.8265 1.2539 1.3068 0.0668 -0.0403 0.3331 70 ASP F OD1 3644 O OD2 . ASP C 92 ? 0.8895 1.3010 1.3107 0.0401 -0.0467 0.2680 70 ASP F OD2 3645 N N . LYS C 93 ? 0.6296 0.8793 1.0947 0.0654 -0.0074 0.2746 71 LYS F N 3646 C CA . LYS C 93 ? 0.6315 0.8676 1.1159 0.0735 0.0019 0.2958 71 LYS F CA 3647 C C . LYS C 93 ? 0.6843 0.9670 1.1536 0.0723 -0.0062 0.3208 71 LYS F C 3648 O O . LYS C 93 ? 0.6762 0.9805 1.1053 0.0600 -0.0162 0.3033 71 LYS F O 3649 C CB . LYS C 93 ? 0.6556 0.8394 1.1277 0.0686 0.0108 0.2677 71 LYS F CB 3650 C CG . LYS C 93 ? 0.8188 0.9618 1.3128 0.0708 0.0222 0.2482 71 LYS F CG 3651 C CD . LYS C 93 ? 0.9403 1.0478 1.4612 0.0747 0.0381 0.2466 71 LYS F CD 3652 C CE . LYS C 93 ? 1.0504 1.1264 1.5432 0.0650 0.0395 0.2128 71 LYS F CE 3653 N NZ . LYS C 93 ? 1.1465 1.2033 1.6363 0.0607 0.0429 0.1856 71 LYS F NZ 3654 N N . ASN C 94 ? 0.6500 0.9500 1.1544 0.0846 -0.0003 0.3620 72 ASN F N 3655 C CA . ASN C 94 ? 0.6595 1.0099 1.1533 0.0848 -0.0065 0.3934 72 ASN F CA 3656 C C . ASN C 94 ? 0.7052 1.0288 1.1800 0.0794 0.0003 0.3833 72 ASN F C 3657 O O . ASN C 94 ? 0.7092 1.0197 1.2136 0.0882 0.0122 0.4095 72 ASN F O 3658 C CB . ASN C 94 ? 0.6861 1.0689 1.2298 0.1016 -0.0021 0.4477 72 ASN F CB 3659 C CG . ASN C 94 ? 0.9883 1.4399 1.5192 0.1017 -0.0111 0.4862 72 ASN F CG 3660 O OD1 . ASN C 94 ? 0.9186 1.4260 1.4107 0.0903 -0.0270 0.4786 72 ASN F OD1 3661 N ND2 . ASN C 94 ? 0.8974 1.3502 1.4634 0.1137 0.0002 0.5288 72 ASN F ND2 3662 N N . LEU C 95 ? 0.6493 0.9630 1.0793 0.0649 -0.0059 0.3444 73 LEU F N 3663 C CA . LEU C 95 ? 0.6446 0.9350 1.0532 0.0582 -0.0010 0.3282 73 LEU F CA 3664 C C . LEU C 95 ? 0.6949 1.0262 1.0584 0.0437 -0.0117 0.3117 73 LEU F C 3665 O O . LEU C 95 ? 0.6842 1.0403 1.0304 0.0360 -0.0214 0.2947 73 LEU F O 3666 C CB . LEU C 95 ? 0.6302 0.8576 1.0378 0.0556 0.0060 0.2917 73 LEU F CB 3667 C CG . LEU C 95 ? 0.6885 0.8734 1.1396 0.0659 0.0207 0.2988 73 LEU F CG 3668 C CD1 . LEU C 95 ? 0.6772 0.8208 1.1245 0.0622 0.0230 0.2629 73 LEU F CD1 3669 C CD2 . LEU C 95 ? 0.7257 0.8924 1.1915 0.0679 0.0324 0.3090 73 LEU F CD2 3670 N N . PRO C 96 ? 0.6599 1.0010 1.0068 0.0387 -0.0086 0.3140 74 PRO F N 3671 C CA . PRO C 96 ? 0.6630 1.0459 0.9704 0.0233 -0.0161 0.2938 74 PRO F CA 3672 C C . PRO C 96 ? 0.7020 1.0515 0.9887 0.0126 -0.0173 0.2455 74 PRO F C 3673 O O . PRO C 96 ? 0.6866 0.9813 0.9786 0.0151 -0.0105 0.2286 74 PRO F O 3674 C CB . PRO C 96 ? 0.6970 1.0905 0.9984 0.0222 -0.0091 0.3092 74 PRO F CB 3675 C CG . PRO C 96 ? 0.7574 1.1258 1.0990 0.0379 0.0010 0.3464 74 PRO F CG 3676 C CD . PRO C 96 ? 0.6856 1.0021 1.0515 0.0453 0.0037 0.3327 74 PRO F CD 3677 N N . ASP C 97 ? 0.6632 1.0487 0.9302 0.0006 -0.0253 0.2244 75 ASP F N 3678 C CA . ASP C 97 ? 0.6537 1.0142 0.9074 -0.0101 -0.0252 0.1812 75 ASP F CA 3679 C C . ASP C 97 ? 0.6924 0.9946 0.9628 -0.0021 -0.0226 0.1723 75 ASP F C 3680 O O . ASP C 97 ? 0.6794 0.9418 0.9450 -0.0055 -0.0185 0.1458 75 ASP F O 3681 C CB . ASP C 97 ? 0.6797 1.0291 0.9161 -0.0196 -0.0188 0.1557 75 ASP F CB 3682 C CG . ASP C 97 ? 0.8213 1.2251 1.0362 -0.0371 -0.0203 0.1336 75 ASP F CG 3683 O OD1 . ASP C 97 ? 0.8318 1.2716 1.0435 -0.0455 -0.0264 0.1233 75 ASP F OD1 3684 O OD2 . ASP C 97 ? 0.9035 1.3141 1.1065 -0.0439 -0.0143 0.1224 75 ASP F OD2 3685 N N . TYR C 98 ? 0.6505 0.9517 0.9428 0.0087 -0.0244 0.1959 76 TYR F N 3686 C CA . TYR C 98 ? 0.6386 0.8925 0.9471 0.0154 -0.0209 0.1882 76 TYR F CA 3687 C C . TYR C 98 ? 0.6869 0.9351 0.9853 0.0062 -0.0239 0.1594 76 TYR F C 3688 O O . TYR C 98 ? 0.6863 0.9745 0.9811 -0.0007 -0.0302 0.1565 76 TYR F O 3689 C CB . TYR C 98 ? 0.6543 0.9111 0.9939 0.0285 -0.0194 0.2183 76 TYR F CB 3690 C CG . TYR C 98 ? 0.6663 0.8767 1.0225 0.0338 -0.0134 0.2069 76 TYR F CG 3691 C CD1 . TYR C 98 ? 0.6875 0.8532 1.0515 0.0377 -0.0043 0.1995 76 TYR F CD1 3692 C CD2 . TYR C 98 ? 0.6716 0.8877 1.0350 0.0333 -0.0164 0.2011 76 TYR F CD2 3693 C CE1 . TYR C 98 ? 0.6906 0.8220 1.0665 0.0402 0.0015 0.1861 76 TYR F CE1 3694 C CE2 . TYR C 98 ? 0.6759 0.8541 1.0521 0.0367 -0.0099 0.1893 76 TYR F CE2 3695 C CZ . TYR C 98 ? 0.7662 0.9040 1.1474 0.0397 -0.0010 0.1817 76 TYR F CZ 3696 O OH . TYR C 98 ? 0.7740 0.8827 1.1655 0.0411 0.0057 0.1683 76 TYR F OH 3697 N N . SER C 99 ? 0.6385 0.8402 0.9342 0.0056 -0.0189 0.1388 77 SER F N 3698 C CA . SER C 99 ? 0.6340 0.8220 0.9248 -0.0019 -0.0187 0.1145 77 SER F CA 3699 C C . SER C 99 ? 0.6764 0.8240 0.9780 0.0051 -0.0146 0.1136 77 SER F C 3700 O O . SER C 99 ? 0.6674 0.7865 0.9721 0.0113 -0.0103 0.1167 77 SER F O 3701 C CB . SER C 99 ? 0.6827 0.8608 0.9600 -0.0110 -0.0155 0.0908 77 SER F CB 3702 O OG . SER C 99 ? 0.8040 1.0232 1.0705 -0.0195 -0.0175 0.0875 77 SER F OG 3703 N N . CYS C 100 ? 0.6333 0.7831 0.9410 0.0029 -0.0153 0.1084 78 CYS F N 3704 C CA . CYS C 100 ? 0.6279 0.7474 0.9440 0.0073 -0.0108 0.1061 78 CYS F CA 3705 C C . CYS C 100 ? 0.6807 0.7967 0.9942 -0.0009 -0.0097 0.0899 78 CYS F C 3706 O O . CYS C 100 ? 0.6811 0.8257 0.9970 -0.0079 -0.0129 0.0854 78 CYS F O 3707 C CB . CYS C 100 ? 0.6315 0.7579 0.9681 0.0161 -0.0095 0.1236 78 CYS F CB 3708 S SG . CYS C 100 ? 0.6784 0.7704 1.0256 0.0206 -0.0009 0.1175 78 CYS F SG 3709 N N . LYS C 101 ? 0.6349 0.7195 0.9454 -0.0006 -0.0047 0.0823 79 LYS F N 3710 C CA . LYS C 101 ? 0.6352 0.7116 0.9474 -0.0074 -0.0010 0.0711 79 LYS F CA 3711 C C . LYS C 101 ? 0.6795 0.7309 0.9916 -0.0033 0.0041 0.0738 79 LYS F C 3712 O O . LYS C 101 ? 0.6732 0.7084 0.9785 0.0013 0.0050 0.0762 79 LYS F O 3713 C CB . LYS C 101 ? 0.6742 0.7461 0.9830 -0.0149 0.0014 0.0572 79 LYS F CB 3714 C CG . LYS C 101 ? 0.8863 0.9644 1.2056 -0.0255 0.0060 0.0434 79 LYS F CG 3715 C CD . LYS C 101 ? 1.0377 1.1195 1.3606 -0.0346 0.0102 0.0256 79 LYS F CD 3716 C CE . LYS C 101 ? 1.2015 1.2881 1.5418 -0.0470 0.0180 0.0080 79 LYS F CE 3717 N NZ . LYS C 101 ? 1.3337 1.4235 1.6837 -0.0573 0.0255 -0.0141 79 LYS F NZ 3718 N N . VAL C 102 ? 0.6342 0.6876 0.9536 -0.0059 0.0075 0.0730 80 VAL F N 3719 C CA . VAL C 102 ? 0.6328 0.6706 0.9506 -0.0041 0.0132 0.0754 80 VAL F CA 3720 C C . VAL C 102 ? 0.6867 0.7129 1.0051 -0.0100 0.0184 0.0723 80 VAL F C 3721 O O . VAL C 102 ? 0.6857 0.7191 1.0148 -0.0171 0.0210 0.0661 80 VAL F O 3722 C CB . VAL C 102 ? 0.6802 0.7282 1.0088 -0.0025 0.0161 0.0781 80 VAL F CB 3723 C CG1 . VAL C 102 ? 0.6835 0.7212 1.0080 -0.0034 0.0235 0.0780 80 VAL F CG1 3724 C CG2 . VAL C 102 ? 0.6726 0.7279 1.0094 0.0049 0.0142 0.0839 80 VAL F CG2 3725 N N . PHE C 103 ? 0.6439 0.6546 0.9546 -0.0072 0.0205 0.0774 81 PHE F N 3726 C CA . PHE C 103 ? 0.6506 0.6491 0.9675 -0.0102 0.0269 0.0809 81 PHE F CA 3727 C C . PHE C 103 ? 0.7006 0.6986 1.0143 -0.0099 0.0325 0.0911 81 PHE F C 3728 O O . PHE C 103 ? 0.6936 0.6959 0.9940 -0.0058 0.0307 0.0962 81 PHE F O 3729 C CB . PHE C 103 ? 0.6767 0.6639 0.9922 -0.0064 0.0258 0.0840 81 PHE F CB 3730 C CG . PHE C 103 ? 0.6910 0.6815 1.0081 -0.0078 0.0218 0.0727 81 PHE F CG 3731 C CD1 . PHE C 103 ? 0.7353 0.7275 1.0671 -0.0156 0.0262 0.0602 81 PHE F CD1 3732 C CD2 . PHE C 103 ? 0.7098 0.7048 1.0153 -0.0027 0.0150 0.0730 81 PHE F CD2 3733 C CE1 . PHE C 103 ? 0.7439 0.7466 1.0745 -0.0186 0.0232 0.0481 81 PHE F CE1 3734 C CE2 . PHE C 103 ? 0.7423 0.7443 1.0479 -0.0045 0.0122 0.0647 81 PHE F CE2 3735 C CZ . PHE C 103 ? 0.7238 0.7316 1.0400 -0.0126 0.0159 0.0523 81 PHE F CZ 3736 N N . THR C 104 ? 0.6620 0.6583 0.9889 -0.0159 0.0402 0.0921 82 THR F N 3737 C CA . THR C 104 ? 0.6680 0.6669 0.9934 -0.0173 0.0475 0.1029 82 THR F CA 3738 C C . THR C 104 ? 0.7265 0.7155 1.0560 -0.0154 0.0536 0.1207 82 THR F C 3739 O O . THR C 104 ? 0.7254 0.7010 1.0696 -0.0147 0.0555 0.1218 82 THR F O 3740 C CB . THR C 104 ? 0.7735 0.7780 1.1142 -0.0248 0.0537 0.0961 82 THR F CB 3741 O OG1 . THR C 104 ? 0.7780 0.7744 1.1394 -0.0311 0.0580 0.0885 82 THR F OG1 3742 C CG2 . THR C 104 ? 0.7417 0.7622 1.0810 -0.0245 0.0481 0.0852 82 THR F CG2 3743 N N . GLY C 105 ? 0.6881 0.6873 1.0072 -0.0147 0.0575 0.1352 83 GLY F N 3744 C CA . GLY C 105 ? 0.7009 0.6993 1.0235 -0.0118 0.0631 0.1597 83 GLY F CA 3745 C C . GLY C 105 ? 0.7411 0.7414 1.0562 -0.0040 0.0556 0.1692 83 GLY F C 3746 O O . GLY C 105 ? 0.7470 0.7386 1.0792 0.0002 0.0600 0.1877 83 GLY F O 3747 N N A VAL C 106 ? 0.6825 0.6943 0.9766 -0.0018 0.0456 0.1571 84 VAL F N 3748 N N B VAL C 106 ? 0.6823 0.6940 0.9766 -0.0018 0.0456 0.1570 84 VAL F N 3749 C CA A VAL C 106 ? 0.6772 0.6949 0.9634 0.0046 0.0374 0.1621 84 VAL F CA 3750 C CA B VAL C 106 ? 0.6775 0.6953 0.9639 0.0046 0.0376 0.1627 84 VAL F CA 3751 C C A VAL C 106 ? 0.7316 0.7804 0.9962 0.0049 0.0348 0.1737 84 VAL F C 3752 C C B VAL C 106 ? 0.7317 0.7806 0.9963 0.0050 0.0348 0.1739 84 VAL F C 3753 O O A VAL C 106 ? 0.7243 0.7893 0.9732 -0.0002 0.0355 0.1613 84 VAL F O 3754 O O B VAL C 106 ? 0.7245 0.7896 0.9735 -0.0002 0.0355 0.1614 84 VAL F O 3755 C CB A VAL C 106 ? 0.7084 0.7194 0.9902 0.0055 0.0296 0.1402 84 VAL F CB 3756 C CB B VAL C 106 ? 0.7094 0.7192 0.9930 0.0062 0.0296 0.1423 84 VAL F CB 3757 C CG1 A VAL C 106 ? 0.7049 0.7217 0.9816 0.0113 0.0223 0.1442 84 VAL F CG1 3758 C CG1 B VAL C 106 ? 0.7032 0.6910 1.0078 0.0061 0.0319 0.1360 84 VAL F CG1 3759 C CG2 A VAL C 106 ? 0.6987 0.6898 0.9983 0.0032 0.0319 0.1283 84 VAL F CG2 3760 C CG2 B VAL C 106 ? 0.6956 0.7118 0.9689 0.0024 0.0279 0.1236 84 VAL F CG2 3761 N N . TYR C 107 ? 0.6971 0.7581 0.9634 0.0106 0.0325 0.1971 85 TYR F N 3762 C CA . TYR C 107 ? 0.7054 0.8065 0.9505 0.0102 0.0285 0.2104 85 TYR F CA 3763 C C . TYR C 107 ? 0.7445 0.8568 0.9874 0.0160 0.0180 0.2113 85 TYR F C 3764 O O . TYR C 107 ? 0.7482 0.8653 1.0048 0.0237 0.0164 0.2372 85 TYR F O 3765 C CB . TYR C 107 ? 0.7437 0.8588 0.9955 0.0119 0.0359 0.2452 85 TYR F CB 3766 C CG . TYR C 107 ? 0.7820 0.9490 1.0075 0.0088 0.0328 0.2596 85 TYR F CG 3767 C CD1 . TYR C 107 ? 0.8120 1.0017 1.0164 -0.0012 0.0379 0.2472 85 TYR F CD1 3768 C CD2 . TYR C 107 ? 0.8045 1.0032 1.0282 0.0153 0.0255 0.2863 85 TYR F CD2 3769 C CE1 . TYR C 107 ? 0.8408 1.0855 1.0193 -0.0066 0.0362 0.2571 85 TYR F CE1 3770 C CE2 . TYR C 107 ? 0.8343 1.0912 1.0316 0.0109 0.0217 0.2995 85 TYR F CE2 3771 C CZ . TYR C 107 ? 0.9328 1.2135 1.1061 -0.0010 0.0275 0.2835 85 TYR F CZ 3772 O OH . TYR C 107 ? 0.9644 1.3092 1.1100 -0.0077 0.0248 0.2930 85 TYR F OH 3773 N N . PRO C 108 ? 0.6835 0.7977 0.9151 0.0129 0.0120 0.1837 86 PRO F N 3774 C CA . PRO C 108 ? 0.6748 0.7977 0.9073 0.0175 0.0030 0.1819 86 PRO F CA 3775 C C . PRO C 108 ? 0.7356 0.9082 0.9515 0.0162 -0.0038 0.1920 86 PRO F C 3776 O O . PRO C 108 ? 0.7393 0.9436 0.9352 0.0078 -0.0022 0.1844 86 PRO F O 3777 C CB . PRO C 108 ? 0.6780 0.7835 0.9087 0.0138 0.0019 0.1503 86 PRO F CB 3778 C CG . PRO C 108 ? 0.7350 0.8437 0.9565 0.0062 0.0083 0.1355 86 PRO F CG 3779 C CD . PRO C 108 ? 0.6911 0.7986 0.9147 0.0058 0.0148 0.1545 86 PRO F CD 3780 N N . PHE C 109 ? 0.6936 0.8768 0.9192 0.0237 -0.0111 0.2075 87 PHE F N 3781 C CA . PHE C 109 ? 0.7043 0.9416 0.9174 0.0234 -0.0199 0.2199 87 PHE F CA 3782 C C . PHE C 109 ? 0.7402 0.9873 0.9516 0.0213 -0.0278 0.1960 87 PHE F C 3783 O O . PHE C 109 ? 0.7206 0.9334 0.9496 0.0268 -0.0283 0.1888 87 PHE F O 3784 C CB . PHE C 109 ? 0.7433 0.9928 0.9753 0.0354 -0.0220 0.2638 87 PHE F CB 3785 C CG . PHE C 109 ? 0.7844 1.0506 1.0143 0.0361 -0.0156 0.2957 87 PHE F CG 3786 C CD1 . PHE C 109 ? 0.8441 1.1738 1.0506 0.0315 -0.0205 0.3125 87 PHE F CD1 3787 C CD2 . PHE C 109 ? 0.8146 1.0373 1.0677 0.0404 -0.0039 0.3095 87 PHE F CD2 3788 C CE1 . PHE C 109 ? 0.8787 1.2268 1.0833 0.0321 -0.0136 0.3458 87 PHE F CE1 3789 C CE2 . PHE C 109 ? 0.8728 1.1099 1.1277 0.0409 0.0039 0.3409 87 PHE F CE2 3790 C CZ . PHE C 109 ? 0.8690 1.1681 1.0992 0.0373 -0.0010 0.3610 87 PHE F CZ 3791 N N . MET C 110 ? 0.7032 1.0005 0.8945 0.0119 -0.0327 0.1822 88 MET F N 3792 C CA . MET C 110 ? 0.6929 1.0097 0.8841 0.0074 -0.0393 0.1588 88 MET F CA 3793 C C . MET C 110 ? 0.7598 1.1394 0.9461 0.0095 -0.0508 0.1817 88 MET F C 3794 O O . MET C 110 ? 0.7701 1.1692 0.9571 0.0169 -0.0528 0.2196 88 MET F O 3795 C CB . MET C 110 ? 0.7182 1.0424 0.8974 -0.0075 -0.0330 0.1170 88 MET F CB 3796 C CG . MET C 110 ? 0.7435 1.0110 0.9380 -0.0067 -0.0258 0.0938 88 MET F CG 3797 S SD . MET C 110 ? 0.7944 1.0652 0.9885 -0.0219 -0.0149 0.0482 88 MET F SD 3798 C CE . MET C 110 ? 0.7522 1.0544 0.9534 -0.0281 -0.0206 0.0276 88 MET F CE 3799 N N . TRP C 111 ? 0.7154 1.1279 0.9006 0.0034 -0.0578 0.1611 89 TRP F N 3800 C CA . TRP C 111 ? 0.7288 1.2092 0.9106 0.0042 -0.0706 0.1790 89 TRP F CA 3801 C C . TRP C 111 ? 0.7969 1.3452 0.9544 -0.0018 -0.0740 0.1992 89 TRP F C 3802 O O . TRP C 111 ? 0.8059 1.3949 0.9675 0.0077 -0.0831 0.2408 89 TRP F O 3803 C CB . TRP C 111 ? 0.7080 1.2134 0.8921 -0.0061 -0.0751 0.1428 89 TRP F CB 3804 C CG . TRP C 111 ? 0.7405 1.3333 0.9139 -0.0125 -0.0878 0.1490 89 TRP F CG 3805 C CD1 . TRP C 111 ? 0.7835 1.4120 0.9708 -0.0017 -0.1008 0.1797 89 TRP F CD1 3806 C CD2 . TRP C 111 ? 0.7570 1.4193 0.9047 -0.0316 -0.0884 0.1249 89 TRP F CD2 3807 N NE1 . TRP C 111 ? 0.7975 1.5173 0.9676 -0.0126 -0.1114 0.1783 89 TRP F NE1 3808 C CE2 . TRP C 111 ? 0.8242 1.5677 0.9681 -0.0322 -0.1037 0.1430 89 TRP F CE2 3809 C CE3 . TRP C 111 ? 0.7785 1.4456 0.9082 -0.0488 -0.0765 0.0885 89 TRP F CE3 3810 C CZ2 . TRP C 111 ? 0.8379 1.6712 0.9568 -0.0512 -0.1082 0.1240 89 TRP F CZ2 3811 C CZ3 . TRP C 111 ? 0.8197 1.5708 0.9272 -0.0677 -0.0789 0.0673 89 TRP F CZ3 3812 C CH2 . TRP C 111 ? 0.8446 1.6798 0.9450 -0.0698 -0.0949 0.0837 89 TRP F CH2 3813 N N . GLY C 112 ? 0.7552 1.3179 0.8902 -0.0173 -0.0660 0.1710 90 GLY F N 3814 C CA . GLY C 112 ? 0.7770 1.4091 0.8850 -0.0263 -0.0674 0.1840 90 GLY F CA 3815 C C . GLY C 112 ? 0.8280 1.4346 0.9287 -0.0236 -0.0571 0.2041 90 GLY F C 3816 O O . GLY C 112 ? 0.8379 1.4824 0.9147 -0.0373 -0.0509 0.1906 90 GLY F O 3817 N N . GLY C 113 ? 0.7712 1.3169 0.8945 -0.0072 -0.0539 0.2342 91 GLY F N 3818 C CA . GLY C 113 ? 0.7725 1.2877 0.8960 -0.0036 -0.0432 0.2550 91 GLY F CA 3819 C C . GLY C 113 ? 0.7925 1.2330 0.9268 -0.0046 -0.0316 0.2264 91 GLY F C 3820 O O . GLY C 113 ? 0.7634 1.1644 0.9112 -0.0031 -0.0322 0.2009 91 GLY F O 3821 N N . ALA C 114 ? 0.7538 1.1788 0.8828 -0.0073 -0.0208 0.2326 92 ALA F N 3822 C CA . ALA C 114 ? 0.7332 1.0960 0.8729 -0.0082 -0.0100 0.2108 92 ALA F CA 3823 C C . ALA C 114 ? 0.7676 1.1256 0.8999 -0.0203 -0.0056 0.1617 92 ALA F C 3824 O O . ALA C 114 ? 0.7737 1.1806 0.8867 -0.0333 -0.0039 0.1415 92 ALA F O 3825 C CB . ALA C 114 ? 0.7558 1.1150 0.8923 -0.0094 0.0002 0.2309 92 ALA F CB 3826 N N . TYR C 115 ? 0.7006 1.0019 0.8513 -0.0164 -0.0024 0.1430 93 TYR F N 3827 C CA . TYR C 115 ? 0.6848 0.9718 0.8392 -0.0247 0.0038 0.1021 93 TYR F CA 3828 C C . TYR C 115 ? 0.7365 1.0198 0.8875 -0.0323 0.0164 0.0878 93 TYR F C 3829 O O . TYR C 115 ? 0.7319 1.0287 0.8827 -0.0428 0.0240 0.0548 93 TYR F O 3830 C CB . TYR C 115 ? 0.6762 0.9103 0.8523 -0.0165 0.0022 0.0947 93 TYR F CB 3831 C CG . TYR C 115 ? 0.6863 0.9010 0.8737 -0.0223 0.0099 0.0602 93 TYR F CG 3832 C CD1 . TYR C 115 ? 0.7134 0.9519 0.9020 -0.0309 0.0112 0.0328 93 TYR F CD1 3833 C CD2 . TYR C 115 ? 0.6842 0.8584 0.8856 -0.0190 0.0166 0.0563 93 TYR F CD2 3834 C CE1 . TYR C 115 ? 0.7144 0.9323 0.9218 -0.0353 0.0212 0.0038 93 TYR F CE1 3835 C CE2 . TYR C 115 ? 0.6875 0.8454 0.9053 -0.0222 0.0245 0.0307 93 TYR F CE2 3836 C CZ . TYR C 115 ? 0.7847 0.9617 1.0074 -0.0299 0.0278 0.0055 93 TYR F CZ 3837 O OH . TYR C 115 ? 0.7916 0.9498 1.0385 -0.0323 0.0384 -0.0172 93 TYR F OH 3838 N N . CYS C 116 ? 0.6972 0.9627 0.8497 -0.0276 0.0202 0.1115 94 CYS F N 3839 C CA . CYS C 116 ? 0.6991 0.9607 0.8510 -0.0340 0.0323 0.1014 94 CYS F CA 3840 C C . CYS C 116 ? 0.7737 1.0828 0.9042 -0.0412 0.0365 0.1169 94 CYS F C 3841 O O . CYS C 116 ? 0.7799 1.1090 0.9029 -0.0362 0.0305 0.1513 94 CYS F O 3842 C CB . CYS C 116 ? 0.6885 0.8987 0.8600 -0.0263 0.0355 0.1108 94 CYS F CB 3843 S SG . CYS C 116 ? 0.7114 0.8748 0.9055 -0.0199 0.0323 0.0917 94 CYS F SG 3844 N N . PHE C 117 ? 0.7410 1.0697 0.8649 -0.0527 0.0482 0.0928 95 PHE F N 3845 C CA . PHE C 117 ? 0.7651 1.1430 0.8671 -0.0621 0.0550 0.1028 95 PHE F CA 3846 C C . PHE C 117 ? 0.8207 1.1750 0.9294 -0.0560 0.0602 0.1352 95 PHE F C 3847 O O . PHE C 117 ? 0.8365 1.2251 0.9304 -0.0570 0.0608 0.1663 95 PHE F O 3848 C CB . PHE C 117 ? 0.7953 1.1989 0.8934 -0.0774 0.0687 0.0602 95 PHE F CB 3849 C CG . PHE C 117 ? 0.8377 1.2800 0.9188 -0.0876 0.0805 0.0650 95 PHE F CG 3850 C CD1 . PHE C 117 ? 0.9041 1.4152 0.9543 -0.0964 0.0782 0.0799 95 PHE F CD1 3851 C CD2 . PHE C 117 ? 0.8607 1.2753 0.9571 -0.0889 0.0940 0.0555 95 PHE F CD2 3852 C CE1 . PHE C 117 ? 0.9394 1.4902 0.9722 -0.1067 0.0901 0.0856 95 PHE F CE1 3853 C CE2 . PHE C 117 ? 0.9187 1.3697 1.0000 -0.0990 0.1062 0.0594 95 PHE F CE2 3854 C CZ . PHE C 117 ? 0.9225 1.4410 0.9711 -0.1081 0.1047 0.0744 95 PHE F CZ 3855 N N . CYS C 118 ? 0.7605 1.0602 0.8932 -0.0503 0.0645 0.1282 96 CYS F N 3856 C CA . CYS C 118 ? 0.7604 1.0337 0.9059 -0.0463 0.0707 0.1517 96 CYS F CA 3857 C C . CYS C 118 ? 0.8083 1.0568 0.9663 -0.0348 0.0634 0.1863 96 CYS F C 3858 O O . CYS C 118 ? 0.7895 1.0190 0.9552 -0.0276 0.0535 0.1839 96 CYS F O 3859 C CB . CYS C 118 ? 0.7460 0.9802 0.9135 -0.0463 0.0776 0.1282 96 CYS F CB 3860 S SG . CYS C 118 ? 0.8004 1.0598 0.9652 -0.0588 0.0916 0.0902 96 CYS F SG 3861 N N . ASP C 119 ? 0.7805 1.0285 0.9447 -0.0334 0.0703 0.2176 97 ASP F N 3862 C CA . ASP C 119 ? 0.7813 1.0033 0.9671 -0.0231 0.0685 0.2508 97 ASP F CA 3863 C C . ASP C 119 ? 0.8084 0.9761 1.0231 -0.0205 0.0723 0.2375 97 ASP F C 3864 O O . ASP C 119 ? 0.7937 0.9317 1.0284 -0.0129 0.0681 0.2436 97 ASP F O 3865 C CB . ASP C 119 ? 0.8341 1.0804 1.0202 -0.0234 0.0774 0.2921 97 ASP F CB 3866 C CG . ASP C 119 ? 0.9907 1.3038 1.1429 -0.0304 0.0764 0.3026 97 ASP F CG 3867 O OD1 . ASP C 119 ? 0.9960 1.3403 1.1280 -0.0320 0.0655 0.2881 97 ASP F OD1 3868 O OD2 . ASP C 119 ? 1.0886 1.4259 1.2348 -0.0356 0.0872 0.3242 97 ASP F OD2 3869 N N . ALA C 120 ? 0.7572 0.9172 0.9748 -0.0277 0.0806 0.2173 98 ALA F N 3870 C CA . ALA C 120 ? 0.7382 0.8589 0.9817 -0.0277 0.0846 0.2040 98 ALA F CA 3871 C C . ALA C 120 ? 0.7554 0.8563 1.0046 -0.0266 0.0777 0.1719 98 ALA F C 3872 O O . ALA C 120 ? 0.7379 0.8191 0.9951 -0.0208 0.0695 0.1692 98 ALA F O 3873 C CB . ALA C 120 ? 0.7592 0.8830 1.0112 -0.0350 0.0985 0.2089 98 ALA F CB 3874 N N . GLU C 121 ? 0.7004 0.8074 0.9493 -0.0319 0.0821 0.1500 99 GLU F N 3875 C CA . GLU C 121 ? 0.6747 0.7672 0.9352 -0.0305 0.0783 0.1248 99 GLU F CA 3876 C C . GLU C 121 ? 0.6988 0.7896 0.9527 -0.0257 0.0684 0.1112 99 GLU F C 3877 O O . GLU C 121 ? 0.6861 0.7821 0.9434 -0.0267 0.0701 0.0914 99 GLU F O 3878 C CB . GLU C 121 ? 0.6937 0.7986 0.9601 -0.0363 0.0879 0.1092 99 GLU F CB 3879 C CG . GLU C 121 ? 0.8520 0.9615 1.1258 -0.0423 0.0993 0.1205 99 GLU F CG 3880 C CD . GLU C 121 ? 1.1598 1.3007 1.4138 -0.0490 0.1089 0.1287 99 GLU F CD 3881 O OE1 . GLU C 121 ? 1.1144 1.2778 1.3583 -0.0530 0.1129 0.1098 99 GLU F OE1 3882 O OE2 . GLU C 121 ? 1.1017 1.2468 1.3534 -0.0509 0.1143 0.1538 99 GLU F OE2 3883 N N . ASN C 122 ? 0.6446 0.7266 0.8944 -0.0204 0.0598 0.1215 100 ASN F N 3884 C CA . ASN C 122 ? 0.6267 0.7062 0.8724 -0.0163 0.0512 0.1096 100 ASN F CA 3885 C C . ASN C 122 ? 0.6500 0.7030 0.9110 -0.0113 0.0451 0.1077 100 ASN F C 3886 O O . ASN C 122 ? 0.6466 0.6861 0.9168 -0.0103 0.0454 0.1194 100 ASN F O 3887 C CB . ASN C 122 ? 0.6432 0.7406 0.8719 -0.0148 0.0458 0.1202 100 ASN F CB 3888 C CG . ASN C 122 ? 0.9351 1.0684 1.1452 -0.0207 0.0507 0.1275 100 ASN F CG 3889 O OD1 . ASN C 122 ? 0.8622 1.0177 1.0637 -0.0275 0.0558 0.1086 100 ASN F OD1 3890 N ND2 . ASN C 122 ? 0.8447 0.9879 1.0505 -0.0185 0.0501 0.1557 100 ASN F ND2 3891 N N . THR C 123 ? 0.5858 0.6337 0.8522 -0.0089 0.0412 0.0928 101 THR F N 3892 C CA . THR C 123 ? 0.5670 0.5982 0.8451 -0.0053 0.0353 0.0905 101 THR F CA 3893 C C . THR C 123 ? 0.5973 0.6252 0.8718 -0.0010 0.0288 0.0855 101 THR F C 3894 O O . THR C 123 ? 0.5922 0.6295 0.8623 -0.0013 0.0301 0.0773 101 THR F O 3895 C CB . THR C 123 ? 0.6628 0.6944 0.9565 -0.0061 0.0375 0.0828 101 THR F CB 3896 O OG1 . THR C 123 ? 0.6564 0.6966 0.9544 -0.0053 0.0415 0.0730 101 THR F OG1 3897 C CG2 . THR C 123 ? 0.6516 0.6851 0.9535 -0.0111 0.0434 0.0864 101 THR F CG2 3898 N N . GLN C 124 ? 0.5401 0.5564 0.8192 0.0016 0.0234 0.0878 102 GLN F N 3899 C CA . GLN C 124 ? 0.5274 0.5403 0.8051 0.0053 0.0180 0.0838 102 GLN F CA 3900 C C . GLN C 124 ? 0.5606 0.5709 0.8488 0.0065 0.0156 0.0803 102 GLN F C 3901 O O . GLN C 124 ? 0.5549 0.5637 0.8480 0.0042 0.0145 0.0810 102 GLN F O 3902 C CB . GLN C 124 ? 0.5471 0.5546 0.8203 0.0075 0.0143 0.0907 102 GLN F CB 3903 C CG . GLN C 124 ? 0.7290 0.7361 1.0002 0.0106 0.0097 0.0857 102 GLN F CG 3904 C CD . GLN C 124 ? 0.9779 0.9785 1.2510 0.0134 0.0065 0.0909 102 GLN F CD 3905 O OE1 . GLN C 124 ? 0.9171 0.9103 1.1962 0.0137 0.0054 0.0869 102 GLN F OE1 3906 N NE2 . GLN C 124 ? 0.8866 0.8941 1.1560 0.0154 0.0053 0.1003 102 GLN F NE2 3907 N N . LEU C 125 ? 0.5056 0.5187 0.7998 0.0093 0.0157 0.0766 103 LEU F N 3908 C CA . LEU C 125 ? 0.4938 0.5107 0.7990 0.0118 0.0133 0.0791 103 LEU F CA 3909 C C . LEU C 125 ? 0.5313 0.5441 0.8320 0.0138 0.0093 0.0799 103 LEU F C 3910 O O . LEU C 125 ? 0.5256 0.5345 0.8271 0.0156 0.0110 0.0771 103 LEU F O 3911 C CB . LEU C 125 ? 0.4937 0.5155 0.8167 0.0150 0.0187 0.0792 103 LEU F CB 3912 C CG . LEU C 125 ? 0.5493 0.5810 0.8886 0.0194 0.0167 0.0891 103 LEU F CG 3913 C CD1 . LEU C 125 ? 0.5521 0.5939 0.9121 0.0217 0.0211 0.0930 103 LEU F CD1 3914 C CD2 . LEU C 125 ? 0.5792 0.6059 0.9287 0.0239 0.0192 0.0925 103 LEU F CD2 3915 N N . SER C 126 ? 0.4796 0.4957 0.7770 0.0119 0.0053 0.0809 104 SER F N 3916 C CA . SER C 126 ? 0.4720 0.4871 0.7656 0.0127 0.0026 0.0805 104 SER F CA 3917 C C . SER C 126 ? 0.5103 0.5402 0.8108 0.0144 0.0010 0.0876 104 SER F C 3918 O O . SER C 126 ? 0.5056 0.5523 0.8095 0.0123 -0.0011 0.0906 104 SER F O 3919 C CB . SER C 126 ? 0.5188 0.5313 0.8080 0.0085 0.0018 0.0749 104 SER F CB 3920 O OG . SER C 126 ? 0.6299 0.6293 0.9167 0.0097 0.0034 0.0749 104 SER F OG 3921 N N . GLU C 127 ? 0.4599 0.4868 0.7645 0.0182 0.0024 0.0918 105 GLU F N 3922 C CA . GLU C 127 ? 0.4554 0.4968 0.7700 0.0213 0.0025 0.1045 105 GLU F CA 3923 C C . GLU C 127 ? 0.4985 0.5435 0.8057 0.0201 0.0015 0.1052 105 GLU F C 3924 O O . GLU C 127 ? 0.4913 0.5212 0.7943 0.0198 0.0029 0.0970 105 GLU F O 3925 C CB . GLU C 127 ? 0.4738 0.5072 0.8097 0.0271 0.0095 0.1111 105 GLU F CB 3926 C CG . GLU C 127 ? 0.6039 0.6486 0.9583 0.0308 0.0115 0.1215 105 GLU F CG 3927 C CD . GLU C 127 ? 0.8647 0.9015 1.2502 0.0371 0.0218 0.1289 105 GLU F CD 3928 O OE1 . GLU C 127 ? 0.8283 0.8787 1.2343 0.0431 0.0236 0.1496 105 GLU F OE1 3929 O OE2 . GLU C 127 ? 0.7799 0.7996 1.1720 0.0356 0.0292 0.1142 105 GLU F OE2 3930 N N . ALA C 128 ? 0.4535 0.5232 0.7596 0.0191 -0.0010 0.1156 106 ALA F N 3931 C CA . ALA C 128 ? 0.4515 0.5315 0.7502 0.0168 -0.0008 0.1173 106 ALA F CA 3932 C C . ALA C 128 ? 0.4978 0.6122 0.7994 0.0176 -0.0026 0.1370 106 ALA F C 3933 O O . ALA C 128 ? 0.4925 0.6319 0.7948 0.0163 -0.0070 0.1433 106 ALA F O 3934 C CB . ALA C 128 ? 0.4618 0.5425 0.7452 0.0091 -0.0025 0.0984 106 ALA F CB 3935 N N . HIS C 129 ? 0.4546 0.5742 0.7590 0.0193 0.0011 0.1482 107 HIS F N 3936 C CA . HIS C 129 ? 0.4599 0.6169 0.7661 0.0202 0.0003 0.1720 107 HIS F CA 3937 C C . HIS C 129 ? 0.5141 0.6774 0.8112 0.0166 0.0042 0.1720 107 HIS F C 3938 O O . HIS C 129 ? 0.5037 0.6366 0.8019 0.0165 0.0088 0.1582 107 HIS F O 3939 C CB . HIS C 129 ? 0.4717 0.6307 0.8071 0.0308 0.0042 0.2011 107 HIS F CB 3940 C CG . HIS C 129 ? 0.5157 0.6488 0.8745 0.0371 0.0150 0.2116 107 HIS F CG 3941 N ND1 . HIS C 129 ? 0.5307 0.6249 0.9067 0.0400 0.0219 0.1979 107 HIS F ND1 3942 C CD2 . HIS C 129 ? 0.5470 0.6917 0.9170 0.0398 0.0212 0.2340 107 HIS F CD2 3943 C CE1 . HIS C 129 ? 0.5292 0.6110 0.9281 0.0434 0.0324 0.2088 107 HIS F CE1 3944 N NE2 . HIS C 129 ? 0.5434 0.6522 0.9405 0.0441 0.0328 0.2321 107 HIS F NE2 3945 N N . VAL C 130 ? 0.4827 0.6901 0.7704 0.0130 0.0023 0.1874 108 VAL F N 3946 C CA . VAL C 130 ? 0.4890 0.7106 0.7664 0.0082 0.0069 0.1886 108 VAL F CA 3947 C C . VAL C 130 ? 0.5540 0.7892 0.8500 0.0159 0.0128 0.2260 108 VAL F C 3948 O O . VAL C 130 ? 0.5558 0.8182 0.8634 0.0216 0.0101 0.2545 108 VAL F O 3949 C CB . VAL C 130 ? 0.5457 0.8117 0.7963 -0.0052 0.0027 0.1719 108 VAL F CB 3950 C CG1 . VAL C 130 ? 0.5546 0.8430 0.7942 -0.0110 0.0088 0.1744 108 VAL F CG1 3951 C CG2 . VAL C 130 ? 0.5347 0.7785 0.7771 -0.0124 0.0015 0.1344 108 VAL F CG2 3952 N N . GLU C 131 ? 0.5182 0.7342 0.8212 0.0166 0.0217 0.2273 109 GLU F N 3953 C CA . GLU C 131 ? 0.5316 0.7560 0.8564 0.0229 0.0308 0.2622 109 GLU F CA 3954 C C . GLU C 131 ? 0.5941 0.8223 0.9088 0.0164 0.0380 0.2562 109 GLU F C 3955 O O . GLU C 131 ? 0.5806 0.8027 0.8741 0.0081 0.0357 0.2240 109 GLU F O 3956 C CB . GLU C 131 ? 0.5451 0.7278 0.9101 0.0337 0.0395 0.2735 109 GLU F CB 3957 C CG . GLU C 131 ? 0.6648 0.7989 1.0381 0.0321 0.0453 0.2439 109 GLU F CG 3958 C CD . GLU C 131 ? 0.9133 1.0128 1.3282 0.0394 0.0565 0.2496 109 GLU F CD 3959 O OE1 . GLU C 131 ? 0.8019 0.8960 1.2314 0.0449 0.0551 0.2539 109 GLU F OE1 3960 O OE2 . GLU C 131 ? 0.8523 0.9305 1.2872 0.0384 0.0678 0.2459 109 GLU F OE2 3961 N N . LYS C 132 ? 0.5729 0.8121 0.9065 0.0206 0.0479 0.2889 110 LYS F N 3962 C CA . LYS C 132 ? 0.5825 0.8272 0.9119 0.0151 0.0571 0.2894 110 LYS F CA 3963 C C . LYS C 132 ? 0.6263 0.8202 0.9658 0.0137 0.0625 0.2577 110 LYS F C 3964 O O . LYS C 132 ? 0.6131 0.7681 0.9795 0.0199 0.0660 0.2539 110 LYS F O 3965 C CB . LYS C 132 ? 0.6329 0.8901 0.9924 0.0225 0.0690 0.3361 110 LYS F CB 3966 C CG . LYS C 132 ? 0.8233 1.1421 1.1629 0.0174 0.0699 0.3642 110 LYS F CG 3967 C CD . LYS C 132 ? 0.9643 1.2782 1.3369 0.0226 0.0869 0.4008 110 LYS F CD 3968 C CE . LYS C 132 ? 1.1245 1.5046 1.4888 0.0224 0.0885 0.4476 110 LYS F CE 3969 N NZ . LYS C 132 ? 1.2455 1.6437 1.6388 0.0357 0.0867 0.4936 110 LYS F NZ 3970 N N . SER C 133 ? 0.5807 0.8502 0.5091 -0.0920 0.0342 -0.0934 111 SER F N 3971 C CA . SER C 133 ? 0.5783 0.8645 0.5023 -0.1041 0.0384 -0.0895 111 SER F CA 3972 C C . SER C 133 ? 0.6324 0.9129 0.5586 -0.1011 0.0507 -0.0970 111 SER F C 3973 O O . SER C 133 ? 0.6333 0.8871 0.5590 -0.0872 0.0525 -0.0997 111 SER F O 3974 C CB . SER C 133 ? 0.6300 0.9046 0.5381 -0.0999 0.0282 -0.0719 111 SER F CB 3975 O OG . SER C 133 ? 0.7407 1.0372 0.6456 -0.1095 0.0313 -0.0669 111 SER F OG 3976 N N . GLU C 134 ? 0.5877 0.8941 0.5139 -0.1162 0.0592 -0.0998 112 GLU F N 3977 C CA . GLU C 134 ? 0.5909 0.8964 0.5146 -0.1197 0.0728 -0.1080 112 GLU F CA 3978 C C . GLU C 134 ? 0.6513 0.9325 0.5596 -0.1062 0.0694 -0.0985 112 GLU F C 3979 O O . GLU C 134 ? 0.6554 0.9220 0.5574 -0.1057 0.0786 -0.1052 112 GLU F O 3980 C CB . GLU C 134 ? 0.6011 0.9484 0.5258 -0.1418 0.0816 -0.1110 112 GLU F CB 3981 C CG . GLU C 134 ? 0.7222 1.1010 0.6624 -0.1600 0.0865 -0.1229 112 GLU F CG 3982 C CD . GLU C 134 ? 0.9533 1.3554 0.8939 -0.1692 0.0737 -0.1118 112 GLU F CD 3983 O OE1 . GLU C 134 ? 0.8751 1.2557 0.8058 -0.1561 0.0592 -0.0963 112 GLU F OE1 3984 O OE2 . GLU C 134 ? 0.8629 1.3042 0.8121 -0.1916 0.0786 -0.1193 112 GLU F OE2 3985 N N . SER C 135 ? 0.6106 0.8864 0.5118 -0.0965 0.0562 -0.0841 113 SER F N 3986 C CA . SER C 135 ? 0.6149 0.8737 0.5037 -0.0833 0.0509 -0.0761 113 SER F CA 3987 C C . SER C 135 ? 0.6775 0.9012 0.5639 -0.0697 0.0480 -0.0773 113 SER F C 3988 O O . SER C 135 ? 0.6758 0.8883 0.5517 -0.0633 0.0471 -0.0751 113 SER F O 3989 C CB . SER C 135 ? 0.6603 0.9222 0.5446 -0.0765 0.0380 -0.0622 113 SER F CB 3990 O OG . SER C 135 ? 0.7770 1.0231 0.6643 -0.0729 0.0289 -0.0583 113 SER F OG 3991 N N . CYS C 136 ? 0.6421 0.8533 0.5380 -0.0661 0.0458 -0.0807 114 CYS F N 3992 C CA . CYS C 136 ? 0.6506 0.8335 0.5459 -0.0531 0.0416 -0.0798 114 CYS F CA 3993 C C . CYS C 136 ? 0.7118 0.8739 0.5988 -0.0506 0.0479 -0.0832 114 CYS F C 3994 O O . CYS C 136 ? 0.7132 0.8547 0.5943 -0.0411 0.0420 -0.0778 114 CYS F O 3995 C CB . CYS C 136 ? 0.6568 0.8406 0.5654 -0.0503 0.0392 -0.0845 114 CYS F CB 3996 S SG . CYS C 136 ? 0.6998 0.8981 0.6091 -0.0539 0.0282 -0.0778 114 CYS F SG 3997 N N . LYS C 137 ? 0.6742 0.8421 0.5583 -0.0617 0.0602 -0.0918 115 LYS F N 3998 C CA . LYS C 137 ? 0.6910 0.8365 0.5615 -0.0644 0.0676 -0.0955 115 LYS F CA 3999 C C . LYS C 137 ? 0.7391 0.8919 0.5920 -0.0683 0.0662 -0.0909 115 LYS F C 4000 O O . LYS C 137 ? 0.7511 0.8833 0.5889 -0.0692 0.0670 -0.0905 115 LYS F O 4001 C CB . LYS C 137 ? 0.7343 0.8828 0.6060 -0.0780 0.0831 -0.1088 115 LYS F CB 4002 C CG . LYS C 137 ? 0.9368 1.0716 0.8253 -0.0714 0.0858 -0.1171 115 LYS F CG 4003 C CD . LYS C 137 ? 1.0812 1.2231 0.9735 -0.0865 0.1027 -0.1334 115 LYS F CD 4004 C CE . LYS C 137 ? 1.2020 1.3866 1.1121 -0.0967 0.1052 -0.1402 115 LYS F CE 4005 N NZ . LYS C 137 ? 1.3293 1.5244 1.2446 -0.1135 0.1231 -0.1585 115 LYS F NZ 4006 N N . THR C 138 ? 0.6776 0.8610 0.5320 -0.0705 0.0634 -0.0876 116 THR F N 4007 C CA . THR C 138 ? 0.6711 0.8716 0.5128 -0.0715 0.0617 -0.0851 116 THR F CA 4008 C C . THR C 138 ? 0.7099 0.9056 0.5537 -0.0562 0.0478 -0.0764 116 THR F C 4009 O O . THR C 138 ? 0.7086 0.8988 0.5420 -0.0529 0.0448 -0.0765 116 THR F O 4010 C CB . THR C 138 ? 0.7676 1.0077 0.6095 -0.0828 0.0685 -0.0876 116 THR F CB 4011 O OG1 . THR C 138 ? 0.7714 1.0149 0.6104 -0.0998 0.0834 -0.0982 116 THR F OG1 4012 C CG2 . THR C 138 ? 0.7486 1.0148 0.5789 -0.0820 0.0669 -0.0864 116 THR F CG2 4013 N N . GLU C 139 ? 0.6557 0.8541 0.5110 -0.0494 0.0402 -0.0701 117 GLU F N 4014 C CA . GLU C 139 ? 0.6515 0.8414 0.5077 -0.0366 0.0285 -0.0628 117 GLU F CA 4015 C C . GLU C 139 ? 0.7044 0.8705 0.5665 -0.0316 0.0231 -0.0603 117 GLU F C 4016 O O . GLU C 139 ? 0.6963 0.8640 0.5665 -0.0343 0.0219 -0.0591 117 GLU F O 4017 C CB . GLU C 139 ? 0.6654 0.8730 0.5249 -0.0345 0.0234 -0.0561 117 GLU F CB 4018 C CG . GLU C 139 ? 0.7893 1.0248 0.6435 -0.0334 0.0251 -0.0563 117 GLU F CG 4019 C CD . GLU C 139 ? 1.0365 1.2702 0.8846 -0.0210 0.0201 -0.0580 117 GLU F CD 4020 O OE1 . GLU C 139 ? 0.9625 1.1736 0.8119 -0.0104 0.0121 -0.0551 117 GLU F OE1 4021 O OE2 . GLU C 139 ? 0.9570 1.2157 0.7985 -0.0236 0.0250 -0.0639 117 GLU F OE2 4022 N N . PHE C 140 ? 0.6703 0.8195 0.5275 -0.0261 0.0199 -0.0601 118 PHE F N 4023 C CA . PHE C 140 ? 0.6726 0.8049 0.5344 -0.0216 0.0149 -0.0572 118 PHE F CA 4024 C C . PHE C 140 ? 0.7301 0.8524 0.5856 -0.0167 0.0094 -0.0553 118 PHE F C 4025 O O . PHE C 140 ? 0.7267 0.8525 0.5739 -0.0183 0.0108 -0.0580 118 PHE F O 4026 C CB . PHE C 140 ? 0.7006 0.8247 0.5676 -0.0237 0.0199 -0.0602 118 PHE F CB 4027 C CG . PHE C 140 ? 0.7331 0.8435 0.5903 -0.0261 0.0241 -0.0619 118 PHE F CG 4028 C CD1 . PHE C 140 ? 0.7810 0.8745 0.6349 -0.0215 0.0191 -0.0572 118 PHE F CD1 4029 C CD2 . PHE C 140 ? 0.7653 0.8808 0.6142 -0.0355 0.0330 -0.0675 118 PHE F CD2 4030 C CE1 . PHE C 140 ? 0.8096 0.8869 0.6507 -0.0262 0.0217 -0.0568 118 PHE F CE1 4031 C CE2 . PHE C 140 ? 0.8179 0.9169 0.6524 -0.0414 0.0370 -0.0690 118 PHE F CE2 4032 C CZ . PHE C 140 ? 0.8056 0.8834 0.6357 -0.0367 0.0308 -0.0630 118 PHE F CZ 4033 N N . ALA C 141 ? 0.6918 0.8061 0.5507 -0.0133 0.0039 -0.0518 119 ALA F N 4034 C CA . ALA C 141 ? 0.6963 0.8046 0.5508 -0.0115 -0.0006 -0.0504 119 ALA F CA 4035 C C . ALA C 141 ? 0.7574 0.8601 0.6154 -0.0111 -0.0020 -0.0466 119 ALA F C 4036 O O . ALA C 141 ? 0.7506 0.8554 0.6166 -0.0094 -0.0019 -0.0459 119 ALA F O 4037 C CB . ALA C 141 ? 0.7070 0.8129 0.5608 -0.0095 -0.0050 -0.0497 119 ALA F CB 4038 N N . SER C 142 ? 0.7263 0.8247 0.5783 -0.0129 -0.0039 -0.0443 120 SER F N 4039 C CA . SER C 142 ? 0.7351 0.8281 0.5895 -0.0107 -0.0069 -0.0379 120 SER F CA 4040 C C . SER C 142 ? 0.7941 0.8948 0.6481 -0.0121 -0.0124 -0.0339 120 SER F C 4041 O O . SER C 142 ? 0.7874 0.8924 0.6347 -0.0179 -0.0135 -0.0361 120 SER F O 4042 C CB . SER C 142 ? 0.7925 0.8723 0.6375 -0.0140 -0.0054 -0.0355 120 SER F CB 4043 O OG . SER C 142 ? 0.9014 0.9744 0.7452 -0.0152 0.0017 -0.0405 120 SER F OG 4044 N N . ALA C 143 ? 0.7611 0.8684 0.6228 -0.0077 -0.0153 -0.0296 121 ALA F N 4045 C CA . ALA C 143 ? 0.7636 0.8844 0.6249 -0.0109 -0.0196 -0.0255 121 ALA F CA 4046 C C . ALA C 143 ? 0.8371 0.9580 0.6975 -0.0088 -0.0245 -0.0152 121 ALA F C 4047 O O . ALA C 143 ? 0.8398 0.9575 0.7072 0.0013 -0.0264 -0.0103 121 ALA F O 4048 C CB . ALA C 143 ? 0.7676 0.9021 0.6355 -0.0094 -0.0198 -0.0273 121 ALA F CB 4049 N N . TYR C 144 ? 0.8076 0.9321 0.6591 -0.0183 -0.0270 -0.0123 122 TYR F N 4050 C CA . TYR C 144 ? 0.8259 0.9500 0.6725 -0.0200 -0.0332 -0.0002 122 TYR F CA 4051 C C . TYR C 144 ? 0.8921 1.0423 0.7392 -0.0276 -0.0375 0.0053 122 TYR F C 4052 O O . TYR C 144 ? 0.8741 1.0385 0.7203 -0.0371 -0.0342 -0.0033 122 TYR F O 4053 C CB . TYR C 144 ? 0.8480 0.9592 0.6804 -0.0304 -0.0330 -0.0007 122 TYR F CB 4054 C CG . TYR C 144 ? 0.8743 0.9607 0.7015 -0.0266 -0.0287 -0.0038 122 TYR F CG 4055 C CD1 . TYR C 144 ? 0.9213 0.9851 0.7459 -0.0194 -0.0307 0.0054 122 TYR F CD1 4056 C CD2 . TYR C 144 ? 0.8718 0.9580 0.6951 -0.0312 -0.0223 -0.0160 122 TYR F CD2 4057 C CE1 . TYR C 144 ? 0.9429 0.9828 0.7602 -0.0194 -0.0248 0.0009 122 TYR F CE1 4058 C CE2 . TYR C 144 ? 0.8904 0.9595 0.7070 -0.0314 -0.0170 -0.0194 122 TYR F CE2 4059 C CZ . TYR C 144 ? 1.0036 1.0488 0.8165 -0.0270 -0.0174 -0.0118 122 TYR F CZ 4060 O OH . TYR C 144 ? 1.0219 1.0492 0.8265 -0.0300 -0.0102 -0.0171 122 TYR F OH 4061 N N . ARG C 145 ? 0.8805 1.0360 0.7278 -0.0242 -0.0449 0.0199 123 ARG F N 4062 C CA . ARG C 145 ? 0.8878 1.0731 0.7346 -0.0332 -0.0498 0.0282 123 ARG F CA 4063 C C . ARG C 145 ? 0.9696 1.1506 0.8028 -0.0473 -0.0548 0.0361 123 ARG F C 4064 O O . ARG C 145 ? 0.9870 1.1469 0.8138 -0.0419 -0.0608 0.0488 123 ARG F O 4065 C CB . ARG C 145 ? 0.9031 1.1037 0.7600 -0.0186 -0.0562 0.0408 123 ARG F CB 4066 C CG . ARG C 145 ? 1.0299 1.2529 0.8973 -0.0134 -0.0518 0.0318 123 ARG F CG 4067 C CD . ARG C 145 ? 1.1800 1.4342 1.0567 -0.0028 -0.0585 0.0432 123 ARG F CD 4068 N NE . ARG C 145 ? 1.2940 1.5784 1.1765 -0.0042 -0.0538 0.0330 123 ARG F NE 4069 C CZ . ARG C 145 ? 1.4752 1.7919 1.3522 -0.0217 -0.0505 0.0291 123 ARG F CZ 4070 N NH1 . ARG C 145 ? 1.3185 1.6445 1.1871 -0.0385 -0.0511 0.0337 123 ARG F NH1 4071 N NH2 . ARG C 145 ? 1.3026 1.6435 1.1807 -0.0252 -0.0459 0.0194 123 ARG F NH2 4072 N N . ALA C 146 ? 0.9303 1.1289 0.7579 -0.0662 -0.0517 0.0269 124 ALA F N 4073 C CA . ALA C 146 ? 0.9461 1.1489 0.7601 -0.0846 -0.0557 0.0305 124 ALA F CA 4074 C C . ALA C 146 ? 1.0184 1.2541 0.8313 -0.0974 -0.0626 0.0437 124 ALA F C 4075 O O . ALA C 146 ? 0.9993 1.2656 0.8198 -0.1036 -0.0590 0.0381 124 ALA F O 4076 C CB . ALA C 146 ? 0.9421 1.1511 0.7527 -0.0975 -0.0483 0.0101 124 ALA F CB 4077 N N . HIS C 147 ? 1.0129 1.2417 0.8143 -0.1027 -0.0726 0.0622 125 HIS F N 4078 C CA . HIS C 147 ? 1.0289 1.2894 0.8274 -0.1153 -0.0815 0.0795 125 HIS F CA 4079 C C . HIS C 147 ? 1.1168 1.3669 0.8950 -0.1326 -0.0910 0.0936 125 HIS F C 4080 O O . HIS C 147 ? 1.1349 1.3431 0.9016 -0.1239 -0.0948 0.1018 125 HIS F O 4081 C CB . HIS C 147 ? 1.0476 1.3159 0.8579 -0.0939 -0.0878 0.0967 125 HIS F CB 4082 C CG . HIS C 147 ? 1.1081 1.3336 0.9211 -0.0667 -0.0903 0.1033 125 HIS F CG 4083 N ND1 . HIS C 147 ? 1.1142 1.3307 0.9412 -0.0478 -0.0826 0.0901 125 HIS F ND1 4084 C CD2 . HIS C 147 ? 1.1649 1.3540 0.9672 -0.0579 -0.0991 0.1204 125 HIS F CD2 4085 C CE1 . HIS C 147 ? 1.1284 1.3079 0.9554 -0.0280 -0.0861 0.0978 125 HIS F CE1 4086 N NE2 . HIS C 147 ? 1.1655 1.3242 0.9774 -0.0323 -0.0957 0.1160 125 HIS F NE2 4087 N N . THR C 148 ? 1.0822 1.3712 0.8543 -0.1598 -0.0942 0.0959 126 THR F N 4088 C CA . THR C 148 ? 1.1114 1.4020 0.8618 -0.1843 -0.1041 0.1095 126 THR F CA 4089 C C . THR C 148 ? 1.1809 1.4388 0.9124 -0.1943 -0.1016 0.0983 126 THR F C 4090 O O . THR C 148 ? 1.2015 1.4131 0.9201 -0.1827 -0.1059 0.1098 126 THR F O 4091 C CB . THR C 148 ? 1.2513 1.5365 0.9958 -0.1768 -0.1195 0.1433 126 THR F CB 4092 O OG1 . THR C 148 ? 1.2312 1.5555 0.9951 -0.1666 -0.1199 0.1496 126 THR F OG1 4093 C CG2 . THR C 148 ? 1.2636 1.5611 0.9848 -0.2081 -0.1311 0.1599 126 THR F CG2 4094 N N . ALA C 149 ? 1.0636 1.4588 0.7614 -0.2413 0.0844 -0.0962 127 ALA F N 4095 C CA . ALA C 149 ? 1.0621 1.4039 0.7566 -0.2266 0.0809 -0.0833 127 ALA F CA 4096 C C . ALA C 149 ? 1.1025 1.4260 0.8124 -0.1950 0.0747 -0.0837 127 ALA F C 4097 O O . ALA C 149 ? 1.0933 1.4115 0.8064 -0.1893 0.0728 -0.0848 127 ALA F O 4098 C CB . ALA C 149 ? 1.0921 1.3794 0.7621 -0.2453 0.0810 -0.0676 127 ALA F CB 4099 N N . SER C 150 ? 1.0591 1.3706 0.7752 -0.1760 0.0709 -0.0826 128 SER F N 4100 C CA . SER C 150 ? 1.0514 1.3395 0.7752 -0.1500 0.0642 -0.0818 128 SER F CA 4101 C C . SER C 150 ? 1.1109 1.3459 0.8284 -0.1512 0.0648 -0.0664 128 SER F C 4102 O O . SER C 150 ? 1.1083 1.3250 0.8212 -0.1555 0.0659 -0.0598 128 SER F O 4103 C CB . SER C 150 ? 1.0917 1.3958 0.8216 -0.1300 0.0577 -0.0898 128 SER F CB 4104 O OG . SER C 150 ? 1.2050 1.4828 0.9350 -0.1080 0.0495 -0.0894 128 SER F OG 4105 N N . ALA C 151 ? 1.0736 1.2866 0.7906 -0.1470 0.0638 -0.0622 129 ALA F N 4106 C CA . ALA C 151 ? 1.0766 1.2478 0.7888 -0.1469 0.0640 -0.0507 129 ALA F CA 4107 C C . ALA C 151 ? 1.1274 1.2807 0.8453 -0.1297 0.0604 -0.0489 129 ALA F C 4108 O O . ALA C 151 ? 1.1200 1.2794 0.8402 -0.1169 0.0563 -0.0547 129 ALA F O 4109 C CB . ALA C 151 ? 1.0901 1.2494 0.7974 -0.1518 0.0647 -0.0474 129 ALA F CB 4110 N N . SER C 152 ? 1.0922 1.2216 0.8088 -0.1300 0.0609 -0.0418 130 SER F N 4111 C CA . SER C 152 ? 1.0917 1.2036 0.8120 -0.1190 0.0583 -0.0392 130 SER F CA 4112 C C . SER C 152 ? 1.1539 1.2427 0.8727 -0.1225 0.0603 -0.0329 130 SER F C 4113 O O . SER C 152 ? 1.1529 1.2348 0.8658 -0.1300 0.0612 -0.0313 130 SER F O 4114 C CB . SER C 152 ? 1.1347 1.2525 0.8577 -0.1126 0.0550 -0.0414 130 SER F CB 4115 O OG . SER C 152 ? 1.2500 1.3663 0.9716 -0.1205 0.0575 -0.0394 130 SER F OG 4116 N N . ALA C 153 ? 1.1198 1.1966 0.8408 -0.1173 0.0600 -0.0308 131 ALA F N 4117 C CA . ALA C 153 ? 1.1230 1.1873 0.8446 -0.1190 0.0618 -0.0281 131 ALA F CA 4118 C C . ALA C 153 ? 1.1830 1.2414 0.9090 -0.1163 0.0616 -0.0273 131 ALA F C 4119 O O . ALA C 153 ? 1.1813 1.2364 0.9045 -0.1141 0.0597 -0.0267 131 ALA F O 4120 C CB . ALA C 153 ? 1.1345 1.1962 0.8528 -0.1203 0.0633 -0.0269 131 ALA F CB 4121 N N . LYS C 154 ? 1.1483 1.2038 0.8778 -0.1167 0.0622 -0.0285 132 LYS F N 4122 C CA . LYS C 154 ? 1.1509 1.2061 0.8860 -0.1168 0.0629 -0.0294 132 LYS F CA 4123 C C . LYS C 154 ? 1.2114 1.2725 0.9477 -0.1187 0.0658 -0.0318 132 LYS F C 4124 O O . LYS C 154 ? 1.2056 1.2676 0.9402 -0.1152 0.0641 -0.0358 132 LYS F O 4125 C CB . LYS C 154 ? 1.1822 1.2351 0.9216 -0.1134 0.0605 -0.0325 132 LYS F CB 4126 C CG . LYS C 154 ? 1.3791 1.4337 1.1253 -0.1142 0.0604 -0.0337 132 LYS F CG 4127 C CD . LYS C 154 ? 1.5135 1.5644 1.2641 -0.1085 0.0574 -0.0378 132 LYS F CD 4128 C CE . LYS C 154 ? 1.6649 1.7191 1.4233 -0.1096 0.0568 -0.0400 132 LYS F CE 4129 N NZ . LYS C 154 ? 1.7933 1.8387 1.5480 -0.1112 0.0536 -0.0335 132 LYS F NZ 4130 N N . LEU C 155 ? 1.1817 1.2452 0.9166 -0.1241 0.0689 -0.0300 133 LEU F N 4131 C CA . LEU C 155 ? 1.1856 1.2600 0.9215 -0.1269 0.0726 -0.0327 133 LEU F CA 4132 C C . LEU C 155 ? 1.2491 1.3360 0.9890 -0.1353 0.0762 -0.0357 133 LEU F C 4133 O O . LEU C 155 ? 1.2536 1.3313 0.9870 -0.1438 0.0765 -0.0314 133 LEU F O 4134 C CB . LEU C 155 ? 1.1915 1.2588 0.9184 -0.1285 0.0741 -0.0283 133 LEU F CB 4135 C CG . LEU C 155 ? 1.2542 1.3317 0.9803 -0.1297 0.0776 -0.0303 133 LEU F CG 4136 C CD1 . LEU C 155 ? 1.2523 1.3327 0.9790 -0.1204 0.0739 -0.0333 133 LEU F CD1 4137 C CD2 . LEU C 155 ? 1.2956 1.3609 1.0101 -0.1338 0.0794 -0.0254 133 LEU F CD2 4138 N N . ARG C 156 ? 1.2090 1.3175 0.9569 -0.1331 0.0777 -0.0443 134 ARG F N 4139 C CA . ARG C 156 ? 1.2136 1.3455 0.9677 -0.1427 0.0823 -0.0504 134 ARG F CA 4140 C C . ARG C 156 ? 1.2757 1.4200 1.0243 -0.1510 0.0881 -0.0500 134 ARG F C 4141 O O . ARG C 156 ? 1.2665 1.4174 1.0152 -0.1417 0.0869 -0.0531 134 ARG F O 4142 C CB . ARG C 156 ? 1.2124 1.3669 0.9783 -0.1326 0.0792 -0.0641 134 ARG F CB 4143 C CG . ARG C 156 ? 1.3476 1.5373 1.1230 -0.1427 0.0844 -0.0741 134 ARG F CG 4144 C CD . ARG C 156 ? 1.4679 1.6854 1.2538 -0.1282 0.0796 -0.0923 134 ARG F CD 4145 N NE . ARG C 156 ? 1.5740 1.8003 1.3552 -0.1139 0.0750 -0.0996 134 ARG F NE 4146 C CZ . ARG C 156 ? 1.7541 2.0146 1.5383 -0.1161 0.0788 -0.1077 134 ARG F CZ 4147 N NH1 . ARG C 156 ? 1.5978 1.8882 1.3889 -0.1358 0.0889 -0.1093 134 ARG F NH1 4148 N NH2 . ARG C 156 ? 1.5873 1.8512 1.3647 -0.0998 0.0717 -0.1143 134 ARG F NH2 4149 N N . VAL C 157 ? 1.2509 1.3943 0.9907 -0.1692 0.0932 -0.0458 135 VAL F N 4150 C CA . VAL C 157 ? 1.2626 1.4145 0.9926 -0.1809 0.0994 -0.0447 135 VAL F CA 4151 C C . VAL C 157 ? 1.3258 1.5104 1.0584 -0.1999 0.1065 -0.0517 135 VAL F C 4152 O O . VAL C 157 ? 1.3314 1.5084 1.0581 -0.2145 0.1066 -0.0490 135 VAL F O 4153 C CB . VAL C 157 ? 1.3300 1.4432 1.0366 -0.1877 0.0982 -0.0330 135 VAL F CB 4154 C CG1 . VAL C 157 ? 1.3412 1.4591 1.0354 -0.1977 0.1042 -0.0321 135 VAL F CG1 4155 C CG2 . VAL C 157 ? 1.3177 1.4066 1.0240 -0.1702 0.0914 -0.0286 135 VAL F CG2 4156 N N . LEU C 158 ? 1.2832 1.5061 1.0234 -0.2004 0.1118 -0.0614 136 LEU F N 4157 C CA . LEU C 158 ? 1.2923 1.5566 1.0354 -0.2210 0.1200 -0.0703 136 LEU F CA 4158 C C . LEU C 158 ? 1.3710 1.6138 1.0871 -0.2456 0.1262 -0.0594 136 LEU F C 4159 O O . LEU C 158 ? 1.3683 1.6165 1.0779 -0.2451 0.1298 -0.0590 136 LEU F O 4160 C CB . LEU C 158 ? 1.2806 1.5986 1.0412 -0.2085 0.1216 -0.0878 136 LEU F CB 4161 C CG . LEU C 158 ? 1.3376 1.7123 1.1155 -0.2152 0.1251 -0.1061 136 LEU F CG 4162 C CD1 . LEU C 158 ? 1.3266 1.7467 1.1200 -0.1908 0.1204 -0.1260 136 LEU F CD1 4163 C CD2 . LEU C 158 ? 1.3899 1.7911 1.1583 -0.2506 0.1371 -0.1062 136 LEU F CD2 4164 N N . TYR C 159 ? 1.3531 1.5641 1.0492 -0.2653 0.1250 -0.0500 137 TYR F N 4165 C CA . TYR C 159 ? 1.3885 1.5638 1.0482 -0.2893 0.1268 -0.0391 137 TYR F CA 4166 C C . TYR C 159 ? 1.4675 1.6602 1.1127 -0.3248 0.1332 -0.0410 137 TYR F C 4167 O O . TYR C 159 ? 1.4669 1.6543 1.1126 -0.3324 0.1294 -0.0404 137 TYR F O 4168 C CB . TYR C 159 ? 1.4160 1.5278 1.0537 -0.2803 0.1153 -0.0267 137 TYR F CB 4169 C CG . TYR C 159 ? 1.4809 1.5436 1.0739 -0.2980 0.1125 -0.0167 137 TYR F CG 4170 C CD1 . TYR C 159 ? 1.5110 1.5573 1.0920 -0.2907 0.1133 -0.0142 137 TYR F CD1 4171 C CD2 . TYR C 159 ? 1.5299 1.5551 1.0881 -0.3201 0.1062 -0.0101 137 TYR F CD2 4172 C CE1 . TYR C 159 ? 1.5643 1.5591 1.0994 -0.3048 0.1087 -0.0066 137 TYR F CE1 4173 C CE2 . TYR C 159 ? 1.5891 1.5592 1.0972 -0.3351 0.1001 -0.0019 137 TYR F CE2 4174 C CZ . TYR C 159 ? 1.6862 1.6411 1.1828 -0.3269 0.1015 -0.0008 137 TYR F CZ 4175 O OH . TYR C 159 ? 1.7481 1.6435 1.1909 -0.3399 0.0938 0.0058 137 TYR F OH 4176 N N . GLN C 160 ? 1.4452 1.6598 1.0764 -0.3477 0.1431 -0.0433 138 GLN F N 4177 C CA . GLN C 160 ? 1.4755 1.7130 1.0885 -0.3881 0.1517 -0.0458 138 GLN F CA 4178 C C . GLN C 160 ? 1.5061 1.8099 1.1535 -0.3919 0.1567 -0.0616 138 GLN F C 4179 O O . GLN C 160 ? 1.5226 1.8280 1.1580 -0.4195 0.1577 -0.0610 138 GLN F O 4180 C CB . GLN C 160 ? 1.5423 1.7106 1.1046 -0.4148 0.1443 -0.0305 138 GLN F CB 4181 C CG . GLN C 160 ? 1.7495 1.8558 1.2709 -0.4147 0.1392 -0.0187 138 GLN F CG 4182 C CD . GLN C 160 ? 2.0413 2.0728 1.5059 -0.4367 0.1274 -0.0060 138 GLN F CD 4183 O OE1 . GLN C 160 ? 1.9871 1.9843 1.4468 -0.4257 0.1146 -0.0014 138 GLN F OE1 4184 N NE2 . GLN C 160 ? 1.9898 1.9901 1.4058 -0.4669 0.1296 -0.0003 138 GLN F NE2 4185 N N . GLY C 161 ? 1.4259 1.7807 1.1125 -0.3631 0.1581 -0.0766 139 GLY F N 4186 C CA . GLY C 161 ? 1.4027 1.8227 1.1233 -0.3578 0.1604 -0.0961 139 GLY F CA 4187 C C . GLY C 161 ? 1.4397 1.8392 1.1739 -0.3423 0.1509 -0.0955 139 GLY F C 4188 O O . GLY C 161 ? 1.4207 1.8681 1.1795 -0.3396 0.1517 -0.1118 139 GLY F O 4189 N N . ASN C 162 ? 1.4012 1.7319 1.1196 -0.3307 0.1413 -0.0784 140 ASN F N 4190 C CA . ASN C 162 ? 1.3876 1.6918 1.1152 -0.3152 0.1316 -0.0755 140 ASN F CA 4191 C C . ASN C 162 ? 1.4160 1.6842 1.1499 -0.2806 0.1228 -0.0694 140 ASN F C 4192 O O . ASN C 162 ? 1.4152 1.6554 1.1343 -0.2759 0.1221 -0.0604 140 ASN F O 4193 C CB . ASN C 162 ? 1.4306 1.6871 1.1266 -0.3405 0.1272 -0.0610 140 ASN F CB 4194 C CG . ASN C 162 ? 1.7433 2.0316 1.4302 -0.3785 0.1346 -0.0663 140 ASN F CG 4195 O OD1 . ASN C 162 ? 1.6624 1.9828 1.3694 -0.3810 0.1348 -0.0765 140 ASN F OD1 4196 N ND2 . ASN C 162 ? 1.6777 1.9568 1.3319 -0.4104 0.1407 -0.0597 140 ASN F ND2 4197 N N . ASN C 163 ? 1.3516 1.6203 1.1058 -0.2581 0.1159 -0.0749 141 ASN F N 4198 C CA . ASN C 163 ? 1.3317 1.5690 1.0903 -0.2294 0.1079 -0.0699 141 ASN F CA 4199 C C . ASN C 163 ? 1.3900 1.5733 1.1304 -0.2299 0.1005 -0.0543 141 ASN F C 4200 O O . ASN C 163 ? 1.3905 1.5643 1.1301 -0.2354 0.0967 -0.0528 141 ASN F O 4201 C CB . ASN C 163 ? 1.3238 1.5840 1.1067 -0.2052 0.1030 -0.0841 141 ASN F CB 4202 C CG . ASN C 163 ? 1.6257 1.9276 1.4214 -0.1917 0.1043 -0.1002 141 ASN F CG 4203 O OD1 . ASN C 163 ? 1.5528 1.8510 1.3419 -0.1859 0.1051 -0.0972 141 ASN F OD1 4204 N ND2 . ASN C 163 ? 1.5297 1.8714 1.3426 -0.1838 0.1026 -0.1190 141 ASN F ND2 4205 N N . ILE C 164 ? 1.3488 1.4986 1.0742 -0.2228 0.0976 -0.0443 142 ILE F N 4206 C CA . ILE C 164 ? 1.3565 1.4590 1.0633 -0.2186 0.0887 -0.0326 142 ILE F CA 4207 C C . ILE C 164 ? 1.3808 1.4736 1.0993 -0.1930 0.0837 -0.0322 142 ILE F C 4208 O O . ILE C 164 ? 1.3617 1.4679 1.0895 -0.1827 0.0865 -0.0359 142 ILE F O 4209 C CB . ILE C 164 ? 1.4288 1.4960 1.1006 -0.2341 0.0868 -0.0229 142 ILE F CB 4210 C CG1 . ILE C 164 ? 1.4324 1.5019 1.1007 -0.2296 0.0915 -0.0227 142 ILE F CG1 4211 C CG2 . ILE C 164 ? 1.4687 1.5361 1.1205 -0.2646 0.0896 -0.0215 142 ILE F CG2 4212 C CD1 . ILE C 164 ? 1.5531 1.5761 1.1880 -0.2307 0.0848 -0.0142 142 ILE F CD1 4213 N N . THR C 165 ? 1.3338 1.4044 1.0502 -0.1840 0.0758 -0.0282 143 THR F N 4214 C CA . THR C 165 ? 1.3129 1.3765 1.0379 -0.1641 0.0716 -0.0280 143 THR F CA 4215 C C . THR C 165 ? 1.3705 1.4049 1.0764 -0.1594 0.0650 -0.0210 143 THR F C 4216 O O . THR C 165 ? 1.3834 1.3946 1.0714 -0.1632 0.0577 -0.0167 143 THR F O 4217 C CB . THR C 165 ? 1.4032 1.4720 1.1428 -0.1549 0.0683 -0.0320 143 THR F CB 4218 O OG1 . THR C 165 ? 1.3898 1.4870 1.1449 -0.1573 0.0730 -0.0418 143 THR F OG1 4219 C CG2 . THR C 165 ? 1.3720 1.4351 1.1173 -0.1385 0.0650 -0.0323 143 THR F CG2 4220 N N . VAL C 166 ? 1.3171 1.3527 1.0248 -0.1502 0.0660 -0.0212 144 VAL F N 4221 C CA . VAL C 166 ? 1.3229 1.3387 1.0154 -0.1430 0.0598 -0.0184 144 VAL F CA 4222 C C . VAL C 166 ? 1.3503 1.3748 1.0549 -0.1294 0.0577 -0.0207 144 VAL F C 4223 O O . VAL C 166 ? 1.3307 1.3696 1.0473 -0.1269 0.0624 -0.0229 144 VAL F O 4224 C CB . VAL C 166 ? 1.3838 1.3926 1.0636 -0.1470 0.0625 -0.0173 144 VAL F CB 4225 C CG1 . VAL C 166 ? 1.3921 1.3818 1.0557 -0.1367 0.0543 -0.0177 144 VAL F CG1 4226 C CG2 . VAL C 166 ? 1.4046 1.4042 1.0678 -0.1645 0.0652 -0.0148 144 VAL F CG2 4227 N N . THR C 167 ? 1.3076 1.3231 1.0057 -0.1215 0.0497 -0.0209 145 THR F N 4228 C CA . THR C 167 ? 1.2901 1.3176 0.9969 -0.1114 0.0479 -0.0238 145 THR F CA 4229 C C . THR C 167 ? 1.3429 1.3671 1.0370 -0.1035 0.0417 -0.0270 145 THR F C 4230 O O . THR C 167 ? 1.3548 1.3630 1.0317 -0.0975 0.0317 -0.0283 145 THR F O 4231 C CB . THR C 167 ? 1.3909 1.4194 1.1037 -0.1069 0.0442 -0.0241 145 THR F CB 4232 O OG1 . THR C 167 ? 1.3814 1.4128 1.1049 -0.1131 0.0492 -0.0235 145 THR F OG1 4233 C CG2 . THR C 167 ? 1.3616 1.4053 1.0821 -0.1001 0.0440 -0.0273 145 THR F CG2 4234 N N . ALA C 168 ? 1.2872 1.3247 0.9869 -0.1028 0.0460 -0.0294 146 ALA F N 4235 C CA . ALA C 168 ? 1.2902 1.3306 0.9806 -0.0947 0.0407 -0.0352 146 ALA F CA 4236 C C . ALA C 168 ? 1.3207 1.3869 1.0228 -0.0947 0.0449 -0.0392 146 ALA F C 4237 O O . ALA C 168 ? 1.3039 1.3765 1.0157 -0.1031 0.0520 -0.0356 146 ALA F O 4238 C CB . ALA C 168 ? 1.3135 1.3357 0.9904 -0.0971 0.0409 -0.0338 146 ALA F CB 4239 N N . TYR C 169 ? 1.2793 1.3596 0.9770 -0.0857 0.0390 -0.0480 147 TYR F N 4240 C CA . TYR C 169 ? 1.2665 1.3758 0.9730 -0.0887 0.0428 -0.0535 147 TYR F CA 4241 C C . TYR C 169 ? 1.3123 1.4162 1.0181 -0.0935 0.0472 -0.0516 147 TYR F C 4242 O O . TYR C 169 ? 1.3171 1.4047 1.0124 -0.0865 0.0431 -0.0535 147 TYR F O 4243 C CB . TYR C 169 ? 1.2868 1.4204 0.9897 -0.0759 0.0344 -0.0669 147 TYR F CB 4244 C CG . TYR C 169 ? 1.3066 1.4560 1.0129 -0.0715 0.0308 -0.0700 147 TYR F CG 4245 C CD1 . TYR C 169 ? 1.3206 1.4989 1.0378 -0.0819 0.0376 -0.0710 147 TYR F CD1 4246 C CD2 . TYR C 169 ? 1.3291 1.4621 1.0236 -0.0575 0.0194 -0.0722 147 TYR F CD2 4247 C CE1 . TYR C 169 ? 1.3282 1.5217 1.0479 -0.0776 0.0347 -0.0741 147 TYR F CE1 4248 C CE2 . TYR C 169 ? 1.3380 1.4854 1.0354 -0.0513 0.0150 -0.0752 147 TYR F CE2 4249 C CZ . TYR C 169 ? 1.4163 1.5959 1.1280 -0.0608 0.0233 -0.0763 147 TYR F CZ 4250 O OH . TYR C 169 ? 1.4253 1.6197 1.1393 -0.0545 0.0194 -0.0794 147 TYR F OH 4251 N N . ALA C 170 ? 1.2593 1.3717 0.9719 -0.1053 0.0540 -0.0477 148 ALA F N 4252 C CA . ALA C 170 ? 1.2569 1.3632 0.9681 -0.1097 0.0571 -0.0450 148 ALA F CA 4253 C C . ALA C 170 ? 1.3049 1.4321 1.0160 -0.1075 0.0553 -0.0541 148 ALA F C 4254 O O . ALA C 170 ? 1.2974 1.4337 1.0095 -0.1174 0.0583 -0.0531 148 ALA F O 4255 C CB . ALA C 170 ? 1.2642 1.3645 0.9758 -0.1216 0.0612 -0.0378 148 ALA F CB 4256 N N . ASN C 171 ? 1.2669 1.3999 0.9739 -0.0936 0.0486 -0.0640 149 ASN F N 4257 C CA . ASN C 171 ? 1.2671 1.4238 0.9741 -0.0867 0.0447 -0.0773 149 ASN F CA 4258 C C . ASN C 171 ? 1.3258 1.4590 1.0218 -0.0747 0.0398 -0.0804 149 ASN F C 4259 O O . ASN C 171 ? 1.3228 1.4719 1.0190 -0.0690 0.0371 -0.0910 149 ASN F O 4260 C CB . ASN C 171 ? 1.2830 1.4698 0.9907 -0.0765 0.0379 -0.0913 149 ASN F CB 4261 C CG . ASN C 171 ? 1.6002 1.7648 1.2932 -0.0579 0.0265 -0.0959 149 ASN F CG 4262 O OD1 . ASN C 171 ? 1.5450 1.7201 1.2285 -0.0404 0.0154 -0.1117 149 ASN F OD1 4263 N ND2 . ASN C 171 ? 1.5031 1.6354 1.1904 -0.0610 0.0272 -0.0837 149 ASN F ND2 4264 N N . GLY C 172 ? 1.2898 1.3864 0.9749 -0.0723 0.0388 -0.0719 150 GLY F N 4265 C CA . GLY C 172 ? 1.3030 1.3698 0.9718 -0.0635 0.0344 -0.0731 150 GLY F CA 4266 C C . GLY C 172 ? 1.3716 1.4246 1.0189 -0.0457 0.0206 -0.0858 150 GLY F C 4267 O O . GLY C 172 ? 1.3853 1.4110 1.0133 -0.0368 0.0146 -0.0899 150 GLY F O 4268 N N . ASP C 173 ? 1.3273 1.3961 0.9740 -0.0391 0.0139 -0.0930 151 ASP F N 4269 C CA . ASP C 173 ? 1.3502 1.4056 0.9721 -0.0188 -0.0033 -0.1072 151 ASP F CA 4270 C C . ASP C 173 ? 1.4012 1.4453 1.0148 -0.0182 -0.0090 -0.1028 151 ASP F C 4271 O O . ASP C 173 ? 1.4050 1.4622 1.0103 -0.0024 -0.0217 -0.1158 151 ASP F O 4272 C CB . ASP C 173 ? 1.3706 1.4685 0.9990 -0.0036 -0.0103 -0.1285 151 ASP F CB 4273 C CG . ASP C 173 ? 1.5289 1.6095 1.1261 0.0233 -0.0317 -0.1480 151 ASP F CG 4274 O OD1 . ASP C 173 ? 1.5631 1.5959 1.1319 0.0304 -0.0395 -0.1479 151 ASP F OD1 4275 O OD2 . ASP C 173 ? 1.6029 1.7172 1.2011 0.0382 -0.0417 -0.1646 151 ASP F OD2 4276 N N . HIS C 174 ? 1.3501 1.3716 0.9659 -0.0345 -0.0004 -0.0856 152 HIS F N 4277 C CA . HIS C 174 ? 1.3528 1.3601 0.9618 -0.0370 -0.0045 -0.0793 152 HIS F CA 4278 C C . HIS C 174 ? 1.4088 1.3762 1.0034 -0.0514 -0.0005 -0.0654 152 HIS F C 4279 O O . HIS C 174 ? 1.3827 1.3587 0.9969 -0.0673 0.0137 -0.0544 152 HIS F O 4280 C CB . HIS C 174 ? 1.3333 1.3779 0.9717 -0.0446 0.0050 -0.0755 152 HIS F CB 4281 C CG . HIS C 174 ? 1.3820 1.4139 1.0155 -0.0450 0.0003 -0.0701 152 HIS F CG 4282 N ND1 . HIS C 174 ? 1.4289 1.4459 1.0387 -0.0285 -0.0174 -0.0783 152 HIS F ND1 4283 C CD2 . HIS C 174 ? 1.3901 1.4217 1.0379 -0.0583 0.0095 -0.0586 152 HIS F CD2 4284 C CE1 . HIS C 174 ? 1.4201 1.4276 1.0318 -0.0338 -0.0175 -0.0699 152 HIS F CE1 4285 N NE2 . HIS C 174 ? 1.4005 1.4176 1.0359 -0.0516 -0.0010 -0.0585 152 HIS F NE2 4286 N N . ALA C 175 ? 1.3995 1.3230 0.9558 -0.0459 -0.0144 -0.0675 153 ALA F N 4287 C CA . ALA C 175 ? 1.4171 1.3014 0.9520 -0.0626 -0.0120 -0.0559 153 ALA F CA 4288 C C . ALA C 175 ? 1.4643 1.3395 0.9962 -0.0722 -0.0137 -0.0479 153 ALA F C 4289 O O . ALA C 175 ? 1.4770 1.3391 0.9904 -0.0601 -0.0292 -0.0532 153 ALA F O 4290 C CB . ALA C 175 ? 1.4742 1.3087 0.9615 -0.0556 -0.0273 -0.0616 153 ALA F CB 4291 N N . VAL C 176 ? 1.3994 1.2844 0.9501 -0.0921 0.0013 -0.0367 154 VAL F N 4292 C CA . VAL C 176 ? 1.3974 1.2778 0.9493 -0.1039 0.0022 -0.0293 154 VAL F CA 4293 C C . VAL C 176 ? 1.4686 1.3227 0.9991 -0.1262 0.0067 -0.0213 154 VAL F C 4294 O O . VAL C 176 ? 1.4488 1.3185 0.9940 -0.1369 0.0204 -0.0183 154 VAL F O 4295 C CB . VAL C 176 ? 1.4036 1.3265 0.9984 -0.1060 0.0149 -0.0269 154 VAL F CB 4296 C CG1 . VAL C 176 ? 1.4031 1.3220 1.0005 -0.1187 0.0167 -0.0204 154 VAL F CG1 4297 C CG2 . VAL C 176 ? 1.3836 1.3302 0.9927 -0.0881 0.0097 -0.0346 154 VAL F CG2 4298 N N . THR C 177 ? 1.4643 1.2778 0.9565 -0.1337 -0.0060 -0.0184 155 THR F N 4299 C CA . THR C 177 ? 1.4944 1.2802 0.9583 -0.1596 -0.0030 -0.0111 155 THR F CA 4300 C C . THR C 177 ? 1.5319 1.3325 1.0095 -0.1787 0.0041 -0.0046 155 THR F C 4301 O O . THR C 177 ? 1.5380 1.3244 1.0054 -0.1750 -0.0073 -0.0037 155 THR F O 4302 C CB . THR C 177 ? 1.6649 1.3867 1.0658 -0.1592 -0.0230 -0.0126 155 THR F CB 4303 O OG1 . THR C 177 ? 1.6655 1.3808 1.0597 -0.1370 -0.0298 -0.0219 155 THR F OG1 4304 C CG2 . THR C 177 ? 1.6883 1.3789 1.0539 -0.1901 -0.0186 -0.0050 155 THR F CG2 4305 N N . VAL C 178 ? 1.4658 1.2980 0.9672 -0.1970 0.0221 -0.0017 156 VAL F N 4306 C CA . VAL C 178 ? 1.4535 1.3091 0.9715 -0.2161 0.0309 0.0012 156 VAL F CA 4307 C C . VAL C 178 ? 1.5268 1.3772 1.0232 -0.2457 0.0393 0.0045 156 VAL F C 4308 O O . VAL C 178 ? 1.5105 1.3778 1.0158 -0.2475 0.0497 0.0029 156 VAL F O 4309 C CB . VAL C 178 ? 1.4492 1.3592 1.0211 -0.2059 0.0437 -0.0029 156 VAL F CB 4310 C CG1 . VAL C 178 ? 1.4408 1.3766 1.0285 -0.2237 0.0515 -0.0032 156 VAL F CG1 4311 C CG2 . VAL C 178 ? 1.4240 1.3378 1.0125 -0.1808 0.0360 -0.0057 156 VAL F CG2 4312 N N . LYS C 179 ? 1.5185 1.3453 0.9842 -0.2700 0.0343 0.0091 157 LYS F N 4313 C CA . LYS C 179 ? 1.5506 1.3706 0.9882 -0.3050 0.0415 0.0125 157 LYS F CA 4314 C C . LYS C 179 ? 1.6330 1.4122 1.0290 -0.3091 0.0377 0.0145 157 LYS F C 4315 O O . LYS C 179 ? 1.6304 1.4285 1.0266 -0.3271 0.0512 0.0143 157 LYS F O 4316 C CB . LYS C 179 ? 1.5470 1.4345 1.0282 -0.3192 0.0621 0.0076 157 LYS F CB 4317 C CG . LYS C 179 ? 1.7388 1.6443 1.2231 -0.3427 0.0645 0.0075 157 LYS F CG 4318 C CD . LYS C 179 ? 1.8202 1.7603 1.3508 -0.3209 0.0650 0.0022 157 LYS F CD 4319 C CE . LYS C 179 ? 1.9613 1.9217 1.4974 -0.3425 0.0673 0.0003 157 LYS F CE 4320 N NZ . LYS C 179 ? 2.1181 2.0214 1.6102 -0.3535 0.0502 0.0093 157 LYS F NZ 4321 N N . ASP C 180 ? 1.6157 1.3402 0.9758 -0.2899 0.0183 0.0146 158 ASP F N 4322 C CA . ASP C 180 ? 1.6526 1.3274 0.9673 -0.2860 0.0089 0.0141 158 ASP F CA 4323 C C . ASP C 180 ? 1.6580 1.3625 1.0055 -0.2658 0.0195 0.0089 158 ASP F C 4324 O O . ASP C 180 ? 1.6806 1.3462 0.9946 -0.2586 0.0117 0.0069 158 ASP F O 4325 C CB . ASP C 180 ? 1.7435 1.3719 0.9970 -0.3237 0.0066 0.0204 158 ASP F CB 4326 C CG . ASP C 180 ? 1.9370 1.4819 1.1178 -0.3184 -0.0164 0.0201 158 ASP F CG 4327 O OD1 . ASP C 180 ? 1.9744 1.4937 1.1228 -0.3323 -0.0130 0.0212 158 ASP F OD1 4328 O OD2 . ASP C 180 ? 2.0365 1.5402 1.1899 -0.2992 -0.0391 0.0178 158 ASP F OD2 4329 N N . ALA C 181 ? 1.5497 1.3185 0.9590 -0.2553 0.0351 0.0061 159 ALA F N 4330 C CA . ALA C 181 ? 1.5083 1.3064 0.9497 -0.2368 0.0441 0.0019 159 ALA F CA 4331 C C . ALA C 181 ? 1.5238 1.3271 0.9860 -0.2047 0.0351 -0.0035 159 ALA F C 4332 O O . ALA C 181 ? 1.4906 1.3191 0.9810 -0.1967 0.0352 -0.0045 159 ALA F O 4333 C CB . ALA C 181 ? 1.4753 1.3351 0.9632 -0.2446 0.0632 0.0010 159 ALA F CB 4334 N N . LYS C 182 ? 1.4856 1.2654 0.9316 -0.1870 0.0271 -0.0081 160 LYS F N 4335 C CA . LYS C 182 ? 1.4576 1.2468 0.9205 -0.1584 0.0187 -0.0157 160 LYS F CA 4336 C C . LYS C 182 ? 1.4464 1.2866 0.9592 -0.1494 0.0328 -0.0172 160 LYS F C 4337 O O . LYS C 182 ? 1.4344 1.2814 0.9522 -0.1524 0.0413 -0.0163 160 LYS F O 4338 C CB . LYS C 182 ? 1.5280 1.2714 0.9493 -0.1429 0.0021 -0.0229 160 LYS F CB 4339 C CG . LYS C 182 ? 1.7010 1.4547 1.1322 -0.1141 -0.0102 -0.0340 160 LYS F CG 4340 C CD . LYS C 182 ? 1.8702 1.5853 1.2630 -0.0954 -0.0267 -0.0451 160 LYS F CD 4341 C CE . LYS C 182 ? 2.0666 1.7348 1.4104 -0.0832 -0.0519 -0.0524 160 LYS F CE 4342 N NZ . LYS C 182 ? 2.2429 1.8534 1.5342 -0.1061 -0.0592 -0.0434 160 LYS F NZ 4343 N N . PHE C 183 ? 1.3635 1.2360 0.9090 -0.1390 0.0341 -0.0193 161 PHE F N 4344 C CA . PHE C 183 ? 1.3158 1.2300 0.9014 -0.1322 0.0446 -0.0205 161 PHE F CA 4345 C C . PHE C 183 ? 1.3406 1.2650 0.9353 -0.1128 0.0382 -0.0279 161 PHE F C 4346 O O . PHE C 183 ? 1.3390 1.2615 0.9292 -0.1033 0.0287 -0.0324 161 PHE F O 4347 C CB . PHE C 183 ? 1.3141 1.2579 0.9277 -0.1391 0.0522 -0.0176 161 PHE F CB 4348 C CG . PHE C 183 ? 1.3376 1.2911 0.9543 -0.1573 0.0618 -0.0136 161 PHE F CG 4349 C CD1 . PHE C 183 ? 1.3553 1.3382 0.9946 -0.1586 0.0720 -0.0143 161 PHE F CD1 4350 C CD2 . PHE C 183 ? 1.3930 1.3284 0.9884 -0.1732 0.0594 -0.0105 161 PHE F CD2 4351 C CE1 . PHE C 183 ? 1.3694 1.3702 1.0132 -0.1736 0.0803 -0.0141 161 PHE F CE1 4352 C CE2 . PHE C 183 ? 1.4316 1.3848 1.0315 -0.1924 0.0693 -0.0090 161 PHE F CE2 4353 C CZ . PHE C 183 ? 1.3824 1.3717 1.0082 -0.1914 0.0800 -0.0119 161 PHE F CZ 4354 N N . ILE C 184 ? 1.2740 1.2119 0.8812 -0.1073 0.0431 -0.0300 162 ILE F N 4355 C CA . ILE C 184 ? 1.2535 1.2094 0.8723 -0.0929 0.0395 -0.0378 162 ILE F CA 4356 C C . ILE C 184 ? 1.2627 1.2494 0.9109 -0.0974 0.0500 -0.0343 162 ILE F C 4357 O O . ILE C 184 ? 1.2542 1.2406 0.9057 -0.1011 0.0559 -0.0306 162 ILE F O 4358 C CB . ILE C 184 ? 1.3137 1.2491 0.9111 -0.0810 0.0314 -0.0457 162 ILE F CB 4359 C CG1 . ILE C 184 ? 1.3579 1.2560 0.9178 -0.0736 0.0160 -0.0514 162 ILE F CG1 4360 C CG2 . ILE C 184 ? 1.3042 1.2690 0.9192 -0.0692 0.0301 -0.0549 162 ILE F CG2 4361 C CD1 . ILE C 184 ? 1.4896 1.3487 1.0147 -0.0663 0.0073 -0.0569 162 ILE F CD1 4362 N N . VAL C 185 ? 1.1932 1.2029 0.8586 -0.0973 0.0509 -0.0353 163 VAL F N 4363 C CA . VAL C 185 ? 1.1658 1.1967 0.8505 -0.1025 0.0577 -0.0323 163 VAL F CA 4364 C C . VAL C 185 ? 1.1960 1.2446 0.8864 -0.0984 0.0561 -0.0381 163 VAL F C 4365 O O . VAL C 185 ? 1.1931 1.2528 0.8821 -0.0921 0.0509 -0.0458 163 VAL F O 4366 C CB . VAL C 185 ? 1.2064 1.2459 0.9010 -0.1077 0.0596 -0.0296 163 VAL F CB 4367 C CG1 . VAL C 185 ? 1.1909 1.2450 0.8967 -0.1119 0.0628 -0.0284 163 VAL F CG1 4368 C CG2 . VAL C 185 ? 1.2102 1.2390 0.9020 -0.1141 0.0625 -0.0250 163 VAL F CG2 4369 N N . GLY C 186 ? 1.1369 1.1895 0.8321 -0.1022 0.0596 -0.0353 164 GLY F N 4370 C CA . GLY C 186 ? 1.1263 1.1955 0.8254 -0.1031 0.0587 -0.0396 164 GLY F CA 4371 C C . GLY C 186 ? 1.1723 1.2389 0.8657 -0.0943 0.0554 -0.0461 164 GLY F C 4372 O O . GLY C 186 ? 1.1777 1.2227 0.8611 -0.0880 0.0540 -0.0453 164 GLY F O 4373 N N . PRO C 187 ? 1.1172 1.2057 0.8148 -0.0946 0.0538 -0.0537 165 PRO F N 4374 C CA . PRO C 187 ? 1.1042 1.2201 0.8092 -0.1063 0.0557 -0.0556 165 PRO F CA 4375 C C . PRO C 187 ? 1.1404 1.2478 0.8432 -0.1199 0.0586 -0.0455 165 PRO F C 4376 O O . PRO C 187 ? 1.1374 1.2274 0.8361 -0.1178 0.0579 -0.0404 165 PRO F O 4377 C CB . PRO C 187 ? 1.1285 1.2707 0.8359 -0.1017 0.0526 -0.0692 165 PRO F CB 4378 C CG . PRO C 187 ? 1.1924 1.3131 0.8938 -0.0905 0.0499 -0.0699 165 PRO F CG 4379 C CD . PRO C 187 ? 1.1428 1.2304 0.8356 -0.0838 0.0496 -0.0625 165 PRO F CD 4380 N N . MET C 188 ? 1.0873 1.2040 0.7891 -0.1328 0.0600 -0.0433 166 MET F N 4381 C CA . MET C 188 ? 1.0887 1.1907 0.7795 -0.1460 0.0592 -0.0352 166 MET F CA 4382 C C . MET C 188 ? 1.1316 1.2333 0.8146 -0.1535 0.0567 -0.0347 166 MET F C 4383 O O . MET C 188 ? 1.1250 1.2530 0.8125 -0.1582 0.0577 -0.0426 166 MET F O 4384 C CB . MET C 188 ? 1.1236 1.2351 0.8095 -0.1597 0.0602 -0.0353 166 MET F CB 4385 C CG . MET C 188 ? 1.1627 1.2730 0.8557 -0.1523 0.0618 -0.0354 166 MET F CG 4386 S SD . MET C 188 ? 1.2201 1.2974 0.9068 -0.1477 0.0597 -0.0274 166 MET F SD 4387 C CE . MET C 188 ? 1.1966 1.2624 0.8634 -0.1641 0.0565 -0.0250 166 MET F CE 4388 N N . SER C 189 ? 1.0857 1.1597 0.7564 -0.1534 0.0523 -0.0268 167 SER F N 4389 C CA . SER C 189 ? 1.0894 1.1556 0.7486 -0.1599 0.0476 -0.0245 167 SER F CA 4390 C C . SER C 189 ? 1.1430 1.2156 0.7861 -0.1836 0.0456 -0.0243 167 SER F C 4391 O O . SER C 189 ? 1.1442 1.2281 0.7834 -0.1939 0.0445 -0.0267 167 SER F O 4392 C CB . SER C 189 ? 1.1420 1.1758 0.7886 -0.1515 0.0409 -0.0169 167 SER F CB 4393 O OG . SER C 189 ? 1.2638 1.2767 0.8919 -0.1574 0.0351 -0.0126 167 SER F OG 4394 N N . SER C 190 ? 1.0991 1.1638 0.7308 -0.1937 0.0452 -0.0218 168 SER F N 4395 C CA . SER C 190 ? 1.1143 1.1802 0.7244 -0.2196 0.0436 -0.0209 168 SER F CA 4396 C C . SER C 190 ? 1.1394 1.2420 0.7639 -0.2263 0.0520 -0.0283 168 SER F C 4397 O O . SER C 190 ? 1.1202 1.2237 0.7570 -0.2135 0.0547 -0.0292 168 SER F O 4398 C CB . SER C 190 ? 1.1866 1.2073 0.7642 -0.2255 0.0338 -0.0131 168 SER F CB 4399 O OG . SER C 190 ? 1.3266 1.3380 0.8732 -0.2540 0.0302 -0.0110 168 SER F OG 4400 N N . ALA C 191 ? 1.0927 1.2286 0.7157 -0.2462 0.0556 -0.0346 169 ALA F N 4401 C CA . ALA C 191 ? 1.0770 1.2561 0.7120 -0.2540 0.0628 -0.0439 169 ALA F CA 4402 C C . ALA C 191 ? 1.1403 1.3071 0.7467 -0.2817 0.0625 -0.0390 169 ALA F C 4403 O O . ALA C 191 ? 1.1341 1.3387 0.7444 -0.2952 0.0687 -0.0464 169 ALA F O 4404 C CB . ALA C 191 ? 1.0778 1.3092 0.7288 -0.2587 0.0669 -0.0571 169 ALA F CB 4405 N N . TRP C 192 ? 1.1138 1.2258 0.6883 -0.2885 0.0539 -0.0277 170 TRP F N 4406 C CA . TRP C 192 ? 1.1435 1.2253 0.6791 -0.3135 0.0495 -0.0221 170 TRP F CA 4407 C C . TRP C 192 ? 1.1735 1.2577 0.7150 -0.3076 0.0535 -0.0237 170 TRP F C 4408 O O . TRP C 192 ? 1.1422 1.2218 0.7060 -0.2806 0.0540 -0.0242 170 TRP F O 4409 C CB . TRP C 192 ? 1.1604 1.1768 0.6577 -0.3135 0.0349 -0.0121 170 TRP F CB 4410 C CG . TRP C 192 ? 1.2219 1.1953 0.6675 -0.3400 0.0265 -0.0067 170 TRP F CG 4411 C CD1 . TRP C 192 ? 1.3017 1.2603 0.7065 -0.3751 0.0216 -0.0032 170 TRP F CD1 4412 C CD2 . TRP C 192 ? 1.2368 1.1728 0.6616 -0.3346 0.0209 -0.0050 170 TRP F CD2 4413 N NE1 . TRP C 192 ? 1.3416 1.2508 0.6969 -0.3927 0.0125 0.0013 170 TRP F NE1 4414 C CE2 . TRP C 192 ? 1.3431 1.2378 0.7107 -0.3666 0.0118 -0.0005 170 TRP F CE2 4415 C CE3 . TRP C 192 ? 1.2280 1.1600 0.6747 -0.3066 0.0220 -0.0075 170 TRP F CE3 4416 C CZ2 . TRP C 192 ? 1.3676 1.2143 0.6983 -0.3687 0.0030 0.0009 170 TRP F CZ2 4417 C CZ3 . TRP C 192 ? 1.2753 1.1658 0.6905 -0.3083 0.0143 -0.0068 170 TRP F CZ3 4418 C CH2 . TRP C 192 ? 1.3405 1.1871 0.6978 -0.3375 0.0044 -0.0029 170 TRP F CH2 4419 N N . THR C 193 ? 1.1477 1.2379 0.6664 -0.3350 0.0561 -0.0244 171 THR F N 4420 C CA . THR C 193 ? 1.1408 1.2315 0.6588 -0.3341 0.0594 -0.0258 171 THR F CA 4421 C C . THR C 193 ? 1.2309 1.2772 0.6951 -0.3646 0.0531 -0.0198 171 THR F C 4422 O O . THR C 193 ? 1.2554 1.3038 0.6914 -0.3969 0.0525 -0.0184 171 THR F O 4423 C CB . THR C 193 ? 1.2130 1.3729 0.7673 -0.3306 0.0712 -0.0370 171 THR F CB 4424 O OG1 . THR C 193 ? 1.2077 1.3651 0.7596 -0.3289 0.0734 -0.0376 171 THR F OG1 4425 C CG2 . THR C 193 ? 1.2073 1.4179 0.7585 -0.3598 0.0778 -0.0446 171 THR F CG2 4426 N N . PRO C 194 ? 0.9021 1.2822 0.7106 -0.2060 -0.0218 -0.1186 172 PRO F N 4427 C CA . PRO C 194 ? 0.8922 1.2498 0.7134 -0.1820 -0.0139 -0.1328 172 PRO F CA 4428 C C . PRO C 194 ? 0.9317 1.2511 0.7544 -0.1607 -0.0148 -0.1140 172 PRO F C 4429 O O . PRO C 194 ? 0.9255 1.2252 0.7559 -0.1450 -0.0090 -0.1217 172 PRO F O 4430 C CB . PRO C 194 ? 0.9141 1.2726 0.7344 -0.1725 -0.0131 -0.1490 172 PRO F CB 4431 C CG . PRO C 194 ? 0.9755 1.3377 0.7790 -0.1846 -0.0206 -0.1351 172 PRO F CG 4432 C CD . PRO C 194 ? 0.9258 1.3077 0.7215 -0.2103 -0.0262 -0.1207 172 PRO F CD 4433 N N . PHE C 195 ? 0.8851 1.1940 0.6996 -0.1609 -0.0222 -0.0900 173 PHE F N 4434 C CA . PHE C 195 ? 0.8790 1.1583 0.6957 -0.1422 -0.0238 -0.0729 173 PHE F CA 4435 C C . PHE C 195 ? 0.9238 1.2153 0.7443 -0.1481 -0.0239 -0.0627 173 PHE F C 4436 O O . PHE C 195 ? 0.9222 1.2417 0.7393 -0.1669 -0.0276 -0.0554 173 PHE F O 4437 C CB . PHE C 195 ? 0.9084 1.1692 0.7152 -0.1374 -0.0311 -0.0546 173 PHE F CB 4438 C CG . PHE C 195 ? 0.9303 1.1846 0.7283 -0.1376 -0.0308 -0.0629 173 PHE F CG 4439 C CD1 . PHE C 195 ? 0.9622 1.1995 0.7649 -0.1200 -0.0258 -0.0729 173 PHE F CD1 4440 C CD2 . PHE C 195 ? 0.9688 1.2356 0.7512 -0.1574 -0.0360 -0.0596 173 PHE F CD2 4441 C CE1 . PHE C 195 ? 0.9760 1.2143 0.7697 -0.1215 -0.0250 -0.0810 173 PHE F CE1 4442 C CE2 . PHE C 195 ? 1.0091 1.2736 0.7798 -0.1607 -0.0348 -0.0685 173 PHE F CE2 4443 C CZ . PHE C 195 ? 0.9755 1.2280 0.7527 -0.1423 -0.0289 -0.0797 173 PHE F CZ 4444 N N . ASP C 196 ? 0.8732 1.1471 0.6994 -0.1336 -0.0201 -0.0617 174 ASP F N 4445 C CA . ASP C 196 ? 0.8686 1.1562 0.6968 -0.1382 -0.0193 -0.0531 174 ASP F CA 4446 C C . ASP C 196 ? 0.9126 1.1935 0.7408 -0.1264 -0.0275 -0.0303 174 ASP F C 4447 O O . ASP C 196 ? 0.9115 1.1745 0.7366 -0.1180 -0.0330 -0.0223 174 ASP F O 4448 C CB . ASP C 196 ? 0.8924 1.1647 0.7228 -0.1319 -0.0108 -0.0654 174 ASP F CB 4449 C CG . ASP C 196 ? 1.0269 1.3040 0.8575 -0.1431 -0.0019 -0.0879 174 ASP F CG 4450 O OD1 . ASP C 196 ? 1.0343 1.3429 0.8649 -0.1633 -0.0001 -0.0939 174 ASP F OD1 4451 O OD2 . ASP C 196 ? 1.1091 1.3584 0.9397 -0.1321 0.0033 -0.0995 174 ASP F OD2 4452 N N . ASN C 197 ? 0.8635 1.1600 0.6945 -0.1259 -0.0280 -0.0212 175 ASN F N 4453 C CA . ASN C 197 ? 0.8626 1.1573 0.6967 -0.1115 -0.0359 -0.0017 175 ASN F CA 4454 C C . ASN C 197 ? 0.9011 1.1612 0.7389 -0.0897 -0.0352 -0.0030 175 ASN F C 4455 O O . ASN C 197 ? 0.9022 1.1484 0.7417 -0.0764 -0.0415 0.0095 175 ASN F O 4456 C CB . ASN C 197 ? 0.8763 1.2049 0.7133 -0.1164 -0.0356 0.0047 175 ASN F CB 4457 C CG . ASN C 197 ? 1.1908 1.5266 1.0333 -0.1002 -0.0450 0.0247 175 ASN F CG 4458 O OD1 . ASN C 197 ? 1.1347 1.4725 0.9757 -0.0984 -0.0544 0.0411 175 ASN F OD1 4459 N ND2 . ASN C 197 ? 1.0862 1.4263 0.9343 -0.0882 -0.0431 0.0233 175 ASN F ND2 4460 N N . LYS C 198 ? 0.8449 1.0903 0.6832 -0.0871 -0.0276 -0.0180 176 LYS F N 4461 C CA . LYS C 198 ? 0.8360 1.0535 0.6774 -0.0706 -0.0263 -0.0206 176 LYS F CA 4462 C C . LYS C 198 ? 0.8751 1.0705 0.7137 -0.0689 -0.0225 -0.0327 176 LYS F C 4463 O O . LYS C 198 ? 0.8692 1.0658 0.7052 -0.0767 -0.0175 -0.0455 176 LYS F O 4464 C CB . LYS C 198 ? 0.8648 1.0863 0.7070 -0.0693 -0.0223 -0.0249 176 LYS F CB 4465 C CG . LYS C 198 ? 1.0308 1.2743 0.8787 -0.0633 -0.0267 -0.0137 176 LYS F CG 4466 C CD . LYS C 198 ? 1.1511 1.3993 0.9973 -0.0640 -0.0226 -0.0205 176 LYS F CD 4467 C CE . LYS C 198 ? 1.2873 1.5628 1.1411 -0.0555 -0.0271 -0.0123 176 LYS F CE 4468 N NZ . LYS C 198 ? 1.3979 1.6821 1.2478 -0.0596 -0.0231 -0.0208 176 LYS F NZ 4469 N N . ILE C 199 ? 0.8265 1.0035 0.6654 -0.0587 -0.0245 -0.0295 177 ILE F N 4470 C CA . ILE C 199 ? 0.8196 0.9824 0.6560 -0.0560 -0.0214 -0.0400 177 ILE F CA 4471 C C . ILE C 199 ? 0.8602 1.0036 0.6998 -0.0426 -0.0198 -0.0395 177 ILE F C 4472 O O . ILE C 199 ? 0.8560 0.9944 0.6992 -0.0358 -0.0217 -0.0308 177 ILE F O 4473 C CB . ILE C 199 ? 0.8630 1.0322 0.6922 -0.0652 -0.0236 -0.0410 177 ILE F CB 4474 C CG1 . ILE C 199 ? 0.8776 1.0377 0.7017 -0.0638 -0.0288 -0.0265 177 ILE F CG1 4475 C CG2 . ILE C 199 ? 0.8728 1.0661 0.6998 -0.0815 -0.0236 -0.0471 177 ILE F CG2 4476 C CD1 . ILE C 199 ? 0.9707 1.1216 0.7840 -0.0681 -0.0281 -0.0300 177 ILE F CD1 4477 N N . VAL C 200 ? 0.8102 0.9452 0.6490 -0.0387 -0.0164 -0.0494 178 VAL F N 4478 C CA . VAL C 200 ? 0.8025 0.9245 0.6437 -0.0289 -0.0145 -0.0498 178 VAL F CA 4479 C C . VAL C 200 ? 0.8456 0.9689 0.6825 -0.0286 -0.0128 -0.0555 178 VAL F C 4480 O O . VAL C 200 ? 0.8405 0.9726 0.6752 -0.0310 -0.0122 -0.0648 178 VAL F O 4481 C CB . VAL C 200 ? 0.8533 0.9669 0.6961 -0.0248 -0.0129 -0.0535 178 VAL F CB 4482 C CG1 . VAL C 200 ? 0.8481 0.9533 0.6926 -0.0172 -0.0115 -0.0539 178 VAL F CG1 4483 C CG2 . VAL C 200 ? 0.8521 0.9686 0.6962 -0.0280 -0.0138 -0.0484 178 VAL F CG2 4484 N N . VAL C 201 ? 0.7995 0.9168 0.6348 -0.0266 -0.0114 -0.0516 179 VAL F N 4485 C CA . VAL C 201 ? 0.7975 0.9194 0.6254 -0.0296 -0.0086 -0.0571 179 VAL F CA 4486 C C . VAL C 201 ? 0.8388 0.9593 0.6699 -0.0229 -0.0045 -0.0594 179 VAL F C 4487 O O . VAL C 201 ? 0.8343 0.9457 0.6697 -0.0204 -0.0027 -0.0544 179 VAL F O 4488 C CB . VAL C 201 ? 0.8577 0.9742 0.6747 -0.0391 -0.0092 -0.0516 179 VAL F CB 4489 C CG1 . VAL C 201 ? 0.8591 0.9837 0.6635 -0.0471 -0.0054 -0.0593 179 VAL F CG1 4490 C CG2 . VAL C 201 ? 0.8621 0.9837 0.6754 -0.0474 -0.0147 -0.0468 179 VAL F CG2 4491 N N . TYR C 202 ? 0.7880 0.9215 0.6178 -0.0201 -0.0031 -0.0676 180 TYR F N 4492 C CA . TYR C 202 ? 0.7795 0.9193 0.6112 -0.0152 0.0003 -0.0691 180 TYR F CA 4493 C C . TYR C 202 ? 0.8265 0.9874 0.6491 -0.0202 0.0036 -0.0776 180 TYR F C 4494 O O . TYR C 202 ? 0.8209 0.9982 0.6434 -0.0167 0.0017 -0.0860 180 TYR F O 4495 C CB . TYR C 202 ? 0.7932 0.9304 0.6324 -0.0042 -0.0025 -0.0687 180 TYR F CB 4496 C CG . TYR C 202 ? 0.8124 0.9617 0.6530 0.0008 -0.0006 -0.0687 180 TYR F CG 4497 C CD1 . TYR C 202 ? 0.8331 0.9817 0.6762 -0.0032 0.0026 -0.0633 180 TYR F CD1 4498 C CD2 . TYR C 202 ? 0.8242 0.9903 0.6647 0.0094 -0.0019 -0.0748 180 TYR F CD2 4499 C CE1 . TYR C 202 ? 0.8395 1.0051 0.6837 -0.0016 0.0047 -0.0625 180 TYR F CE1 4500 C CE2 . TYR C 202 ? 0.8338 1.0167 0.6758 0.0143 -0.0009 -0.0730 180 TYR F CE2 4501 C CZ . TYR C 202 ? 0.9209 1.1041 0.7641 0.0074 0.0025 -0.0661 180 TYR F CZ 4502 O OH . TYR C 202 ? 0.9305 1.1353 0.7750 0.0097 0.0036 -0.0635 180 TYR F OH 4503 N N . LYS C 203 ? 0.7836 0.9456 0.5980 -0.0295 0.0093 -0.0769 181 LYS F N 4504 C CA . LYS C 203 ? 0.7837 0.9670 0.5845 -0.0397 0.0143 -0.0852 181 LYS F CA 4505 C C . LYS C 203 ? 0.8363 1.0300 0.6261 -0.0489 0.0115 -0.0919 181 LYS F C 4506 O O . LYS C 203 ? 0.8418 1.0182 0.6221 -0.0597 0.0102 -0.0870 181 LYS F O 4507 C CB . LYS C 203 ? 0.8074 1.0186 0.6125 -0.0323 0.0167 -0.0904 181 LYS F CB 4508 C CG . LYS C 203 ? 0.9712 1.1786 0.7828 -0.0309 0.0209 -0.0842 181 LYS F CG 4509 C CD . LYS C 203 ? 1.0864 1.3252 0.9017 -0.0242 0.0219 -0.0867 181 LYS F CD 4510 C CE . LYS C 203 ? 1.2181 1.4578 1.0393 -0.0268 0.0261 -0.0805 181 LYS F CE 4511 N NZ . LYS C 203 ? 1.3276 1.6024 1.1516 -0.0215 0.0264 -0.0805 181 LYS F NZ 4512 N N . GLY C 204 ? 0.7858 1.0083 0.5778 -0.0441 0.0098 -0.1029 182 GLY F N 4513 C CA . GLY C 204 ? 0.7874 1.0288 0.5711 -0.0539 0.0073 -0.1130 182 GLY F CA 4514 C C . GLY C 204 ? 0.8316 1.0710 0.6285 -0.0448 0.0015 -0.1160 182 GLY F C 4515 O O . GLY C 204 ? 0.8278 1.0893 0.6214 -0.0523 -0.0003 -0.1275 182 GLY F O 4516 N N . ASP C 205 ? 0.7845 0.9994 0.5949 -0.0314 -0.0007 -0.1071 183 ASP F N 4517 C CA . ASP C 205 ? 0.7829 0.9911 0.6038 -0.0243 -0.0044 -0.1100 183 ASP F CA 4518 C C . ASP C 205 ? 0.8318 1.0158 0.6538 -0.0301 -0.0065 -0.0982 183 ASP F C 4519 O O . ASP C 205 ? 0.8243 0.9892 0.6472 -0.0281 -0.0060 -0.0865 183 ASP F O 4520 C CB . ASP C 205 ? 0.8072 1.0097 0.6397 -0.0042 -0.0054 -0.1117 183 ASP F CB 4521 C CG . ASP C 205 ? 0.9326 1.1645 0.7672 0.0061 -0.0050 -0.1241 183 ASP F CG 4522 O OD1 . ASP C 205 ? 0.9447 1.1969 0.7821 0.0074 -0.0058 -0.1392 183 ASP F OD1 4523 O OD2 . ASP C 205 ? 0.9992 1.2379 0.8338 0.0130 -0.0038 -0.1197 183 ASP F OD2 4524 N N . VAL C 206 ? 0.7918 0.9817 0.6144 -0.0379 -0.0085 -0.1026 184 VAL F N 4525 C CA . VAL C 206 ? 0.7906 0.9674 0.6143 -0.0445 -0.0108 -0.0924 184 VAL F CA 4526 C C . VAL C 206 ? 0.8410 1.0137 0.6734 -0.0391 -0.0102 -0.0988 184 VAL F C 4527 O O . VAL C 206 ? 0.8383 1.0242 0.6740 -0.0371 -0.0089 -0.1137 184 VAL F O 4528 C CB . VAL C 206 ? 0.8445 1.0338 0.6581 -0.0634 -0.0134 -0.0897 184 VAL F CB 4529 C CG1 . VAL C 206 ? 0.8442 1.0246 0.6598 -0.0683 -0.0166 -0.0766 184 VAL F CG1 4530 C CG2 . VAL C 206 ? 0.8478 1.0346 0.6477 -0.0709 -0.0132 -0.0848 184 VAL F CG2 4531 N N . TYR C 207 ? 0.7979 0.9531 0.6330 -0.0372 -0.0107 -0.0889 185 TYR F N 4532 C CA . TYR C 207 ? 0.8028 0.9492 0.6412 -0.0358 -0.0089 -0.0939 185 TYR F CA 4533 C C . TYR C 207 ? 0.8537 1.0044 0.6906 -0.0482 -0.0094 -0.0865 185 TYR F C 4534 O O . TYR C 207 ? 0.8435 0.9925 0.6798 -0.0491 -0.0120 -0.0733 185 TYR F O 4535 C CB . TYR C 207 ? 0.8222 0.9447 0.6617 -0.0227 -0.0086 -0.0901 185 TYR F CB 4536 C CG . TYR C 207 ? 0.8469 0.9677 0.6887 -0.0088 -0.0088 -0.0963 185 TYR F CG 4537 C CD1 . TYR C 207 ? 0.8866 0.9992 0.7304 0.0009 -0.0081 -0.1073 185 TYR F CD1 4538 C CD2 . TYR C 207 ? 0.8473 0.9750 0.6889 -0.0046 -0.0095 -0.0911 185 TYR F CD2 4539 C CE1 . TYR C 207 ? 0.9006 1.0151 0.7476 0.0168 -0.0096 -0.1115 185 TYR F CE1 4540 C CE2 . TYR C 207 ? 0.8612 0.9950 0.7049 0.0076 -0.0097 -0.0960 185 TYR F CE2 4541 C CZ . TYR C 207 ? 0.9674 1.0961 0.8145 0.0196 -0.0105 -0.1054 185 TYR F CZ 4542 O OH . TYR C 207 ? 0.9830 1.1216 0.8333 0.0345 -0.0120 -0.1091 185 TYR F OH 4543 N N . ASN C 208 ? 0.8175 0.9762 0.6545 -0.0574 -0.0065 -0.0961 186 ASN F N 4544 C CA . ASN C 208 ? 0.8155 0.9850 0.6505 -0.0711 -0.0058 -0.0904 186 ASN F CA 4545 C C . ASN C 208 ? 0.8735 1.0223 0.7055 -0.0670 -0.0034 -0.0876 186 ASN F C 4546 O O . ASN C 208 ? 0.8824 1.0144 0.7114 -0.0653 0.0009 -0.0984 186 ASN F O 4547 C CB . ASN C 208 ? 0.8264 1.0169 0.6618 -0.0865 -0.0019 -0.1041 186 ASN F CB 4548 C CG . ASN C 208 ? 1.0924 1.3130 0.9273 -0.1006 -0.0055 -0.1020 186 ASN F CG 4549 O OD1 . ASN C 208 ? 1.0024 1.2260 0.8344 -0.1009 -0.0114 -0.0867 186 ASN F OD1 4550 N ND2 . ASN C 208 ? 0.9971 1.2399 0.8337 -0.1144 -0.0018 -0.1177 186 ASN F ND2 4551 N N . MET C 209 ? 0.8253 0.9736 0.6571 -0.0648 -0.0064 -0.0740 187 MET F N 4552 C CA . MET C 209 ? 0.8309 0.9647 0.6578 -0.0638 -0.0047 -0.0716 187 MET F CA 4553 C C . MET C 209 ? 0.8735 1.0269 0.7005 -0.0700 -0.0065 -0.0613 187 MET F C 4554 O O . MET C 209 ? 0.8590 1.0227 0.6927 -0.0637 -0.0113 -0.0512 187 MET F O 4555 C CB . MET C 209 ? 0.8605 0.9723 0.6885 -0.0497 -0.0067 -0.0689 187 MET F CB 4556 C CG . MET C 209 ? 0.9210 1.0133 0.7402 -0.0513 -0.0053 -0.0689 187 MET F CG 4557 S SD . MET C 209 ? 0.9652 1.0562 0.7878 -0.0444 -0.0090 -0.0589 187 MET F SD 4558 C CE . MET C 209 ? 0.9228 0.9973 0.7491 -0.0303 -0.0104 -0.0602 187 MET F CE 4559 N N . ASP C 210 ? 0.8373 0.9952 0.6558 -0.0820 -0.0025 -0.0647 188 ASP F N 4560 C CA . ASP C 210 ? 0.8304 1.0136 0.6479 -0.0884 -0.0036 -0.0572 188 ASP F CA 4561 C C . ASP C 210 ? 0.8743 1.0456 0.6911 -0.0803 -0.0056 -0.0540 188 ASP F C 4562 O O . ASP C 210 ? 0.8812 1.0470 0.6859 -0.0898 -0.0024 -0.0582 188 ASP F O 4563 C CB . ASP C 210 ? 0.8662 1.0640 0.6720 -0.1088 0.0032 -0.0645 188 ASP F CB 4564 C CG . ASP C 210 ? 0.9911 1.2261 0.7953 -0.1171 0.0024 -0.0578 188 ASP F CG 4565 O OD1 . ASP C 210 ? 0.9859 1.2497 0.8010 -0.1122 -0.0032 -0.0473 188 ASP F OD1 4566 O OD2 . ASP C 210 ? 1.0786 1.3149 0.8692 -0.1292 0.0071 -0.0630 188 ASP F OD2 4567 N N . TYR C 211 ? 0.8143 0.9808 0.6421 -0.0650 -0.0104 -0.0477 189 TYR F N 4568 C CA . TYR C 211 ? 0.8058 0.9651 0.6363 -0.0575 -0.0121 -0.0459 189 TYR F CA 4569 C C . TYR C 211 ? 0.8493 1.0359 0.6802 -0.0620 -0.0130 -0.0441 189 TYR F C 4570 O O . TYR C 211 ? 0.8401 1.0545 0.6755 -0.0630 -0.0147 -0.0397 189 TYR F O 4571 C CB . TYR C 211 ? 0.8092 0.9609 0.6515 -0.0427 -0.0151 -0.0414 189 TYR F CB 4572 C CG . TYR C 211 ? 0.8235 0.9907 0.6748 -0.0365 -0.0187 -0.0335 189 TYR F CG 4573 C CD1 . TYR C 211 ? 0.8460 1.0308 0.7058 -0.0296 -0.0217 -0.0283 189 TYR F CD1 4574 C CD2 . TYR C 211 ? 0.8328 0.9962 0.6833 -0.0371 -0.0199 -0.0313 189 TYR F CD2 4575 C CE1 . TYR C 211 ? 0.8573 1.0505 0.7242 -0.0214 -0.0263 -0.0190 189 TYR F CE1 4576 C CE2 . TYR C 211 ? 0.8457 1.0177 0.7006 -0.0330 -0.0245 -0.0216 189 TYR F CE2 4577 C CZ . TYR C 211 ? 0.9387 1.1226 0.8015 -0.0239 -0.0280 -0.0144 189 TYR F CZ 4578 O OH . TYR C 211 ? 0.9575 1.1445 0.8235 -0.0176 -0.0337 -0.0030 189 TYR F OH 4579 N N . PRO C 212 ? 0.8078 0.9918 0.6337 -0.0655 -0.0126 -0.0474 190 PRO F N 4580 C CA . PRO C 212 ? 0.8028 1.0208 0.6294 -0.0704 -0.0135 -0.0484 190 PRO F CA 4581 C C . PRO C 212 ? 0.8356 1.0749 0.6828 -0.0528 -0.0180 -0.0434 190 PRO F C 4582 O O . PRO C 212 ? 0.8246 1.0449 0.6817 -0.0402 -0.0192 -0.0413 190 PRO F O 4583 C CB . PRO C 212 ? 0.8331 1.0401 0.6482 -0.0803 -0.0124 -0.0539 190 PRO F CB 4584 C CG . PRO C 212 ? 0.8890 1.0610 0.7067 -0.0717 -0.0130 -0.0522 190 PRO F CG 4585 C CD . PRO C 212 ? 0.8338 0.9887 0.6529 -0.0659 -0.0120 -0.0501 190 PRO F CD 4586 N N . PRO C 213 ? 0.7878 1.0659 0.6411 -0.0510 -0.0202 -0.0417 191 PRO F N 4587 C CA . PRO C 213 ? 0.7795 1.0724 0.6530 -0.0303 -0.0252 -0.0369 191 PRO F CA 4588 C C . PRO C 213 ? 0.8210 1.1142 0.7042 -0.0234 -0.0248 -0.0445 191 PRO F C 4589 O O . PRO C 213 ? 0.8155 1.1055 0.6882 -0.0373 -0.0219 -0.0523 191 PRO F O 4590 C CB . PRO C 213 ? 0.8035 1.1428 0.6799 -0.0305 -0.0280 -0.0339 191 PRO F CB 4591 C CG . PRO C 213 ? 0.8636 1.2193 0.7208 -0.0544 -0.0229 -0.0421 191 PRO F CG 4592 C CD . PRO C 213 ? 0.8126 1.1241 0.6541 -0.0672 -0.0182 -0.0446 191 PRO F CD 4593 N N . PHE C 214 ? 0.7755 1.0705 0.6773 -0.0032 -0.0277 -0.0425 192 PHE F N 4594 C CA . PHE C 214 ? 0.7699 1.0686 0.6840 0.0034 -0.0261 -0.0521 192 PHE F CA 4595 C C . PHE C 214 ? 0.8177 1.1607 0.7322 -0.0052 -0.0262 -0.0630 192 PHE F C 4596 O O . PHE C 214 ? 0.8150 1.1948 0.7327 -0.0014 -0.0293 -0.0620 192 PHE F O 4597 C CB . PHE C 214 ? 0.7987 1.0891 0.7318 0.0272 -0.0283 -0.0491 192 PHE F CB 4598 C CG . PHE C 214 ? 0.8162 1.0991 0.7610 0.0317 -0.0240 -0.0602 192 PHE F CG 4599 C CD1 . PHE C 214 ? 0.8556 1.1012 0.7973 0.0302 -0.0197 -0.0593 192 PHE F CD1 4600 C CD2 . PHE C 214 ? 0.8409 1.1595 0.7999 0.0357 -0.0237 -0.0733 192 PHE F CD2 4601 C CE1 . PHE C 214 ? 0.8654 1.1084 0.8175 0.0312 -0.0143 -0.0704 192 PHE F CE1 4602 C CE2 . PHE C 214 ? 0.8748 1.1903 0.8455 0.0371 -0.0186 -0.0857 192 PHE F CE2 4603 C CZ . PHE C 214 ? 0.8513 1.1285 0.8184 0.0342 -0.0136 -0.0837 192 PHE F CZ 4604 N N . GLY C 215 ? 0.7711 1.1135 0.6806 -0.0186 -0.0230 -0.0729 193 GLY F N 4605 C CA . GLY C 215 ? 0.7681 1.1521 0.6736 -0.0327 -0.0228 -0.0851 193 GLY F CA 4606 C C . GLY C 215 ? 0.8243 1.2140 0.7027 -0.0579 -0.0218 -0.0845 193 GLY F C 4607 O O . GLY C 215 ? 0.8227 1.2536 0.6936 -0.0717 -0.0218 -0.0938 193 GLY F O 4608 N N . ALA C 216 ? 0.7854 1.1344 0.6477 -0.0650 -0.0202 -0.0754 194 ALA F N 4609 C CA . ALA C 216 ? 0.7958 1.1384 0.6304 -0.0887 -0.0177 -0.0752 194 ALA F CA 4610 C C . ALA C 216 ? 0.8556 1.1462 0.6729 -0.0989 -0.0158 -0.0716 194 ALA F C 4611 O O . ALA C 216 ? 0.8674 1.1406 0.6612 -0.1161 -0.0132 -0.0712 194 ALA F O 4612 C CB . ALA C 216 ? 0.8061 1.1606 0.6393 -0.0860 -0.0173 -0.0690 194 ALA F CB 4613 N N . GLY C 217 ? 0.8039 1.0718 0.6326 -0.0882 -0.0168 -0.0696 195 GLY F N 4614 C CA . GLY C 217 ? 0.8103 1.0347 0.6269 -0.0931 -0.0164 -0.0652 195 GLY F CA 4615 C C . GLY C 217 ? 0.8757 1.0922 0.6682 -0.1165 -0.0169 -0.0678 195 GLY F C 4616 O O . GLY C 217 ? 0.8676 1.1144 0.6594 -0.1277 -0.0179 -0.0748 195 GLY F O 4617 N N . ARG C 218 ? 0.8529 1.0278 0.6246 -0.1242 -0.0165 -0.0628 196 ARG F N 4618 C CA . ARG C 218 ? 0.8791 1.0325 0.6216 -0.1471 -0.0178 -0.0622 196 ARG F CA 4619 C C . ARG C 218 ? 0.9322 1.0600 0.6740 -0.1450 -0.0219 -0.0554 196 ARG F C 4620 O O . ARG C 218 ? 0.9132 1.0269 0.6718 -0.1251 -0.0223 -0.0506 196 ARG F O 4621 C CB . ARG C 218 ? 0.9129 1.0320 0.6308 -0.1567 -0.0147 -0.0612 196 ARG F CB 4622 C CG . ARG C 218 ? 1.0444 1.1941 0.7542 -0.1694 -0.0099 -0.0685 196 ARG F CG 4623 C CD . ARG C 218 ? 1.1995 1.3136 0.8805 -0.1852 -0.0049 -0.0700 196 ARG F CD 4624 N NE . ARG C 218 ? 1.3378 1.4263 0.9835 -0.2116 -0.0054 -0.0705 196 ARG F NE 4625 C CZ . ARG C 218 ? 1.5275 1.6412 1.1491 -0.2395 -0.0026 -0.0777 196 ARG F CZ 4626 N NH1 . ARG C 218 ? 1.3406 1.5107 0.9727 -0.2422 0.0009 -0.0850 196 ARG F NH1 4627 N NH2 . ARG C 218 ? 1.3988 1.4832 0.9842 -0.2658 -0.0036 -0.0771 196 ARG F NH2 4628 N N . PRO C 219 ? 0.9107 1.0339 0.6310 -0.1671 -0.0252 -0.0542 197 PRO F N 4629 C CA . PRO C 219 ? 0.9166 1.0194 0.6357 -0.1663 -0.0301 -0.0454 197 PRO F CA 4630 C C . PRO C 219 ? 0.9922 1.0414 0.7001 -0.1553 -0.0322 -0.0348 197 PRO F C 4631 O O . PRO C 219 ? 1.0149 1.0317 0.7011 -0.1612 -0.0309 -0.0345 197 PRO F O 4632 C CB . PRO C 219 ? 0.9599 1.0730 0.6542 -0.1973 -0.0339 -0.0465 197 PRO F CB 4633 C CG . PRO C 219 ? 1.0083 1.1615 0.6991 -0.2109 -0.0300 -0.0595 197 PRO F CG 4634 C CD . PRO C 219 ? 0.9491 1.0899 0.6438 -0.1963 -0.0251 -0.0607 197 PRO F CD 4635 N N . GLY C 220 ? 0.9400 0.9833 0.6636 -0.1390 -0.0348 -0.0279 198 GLY F N 4636 C CA . GLY C 220 ? 0.9588 0.9601 0.6773 -0.1236 -0.0376 -0.0187 198 GLY F CA 4637 C C . GLY C 220 ? 1.0025 0.9924 0.7324 -0.1035 -0.0330 -0.0234 198 GLY F C 4638 O O . GLY C 220 ? 1.0152 0.9733 0.7421 -0.0893 -0.0348 -0.0191 198 GLY F O 4639 N N . GLN C 221 ? 0.9350 0.9534 0.6783 -0.1021 -0.0277 -0.0325 199 GLN F N 4640 C CA . GLN C 221 ? 0.9238 0.9395 0.6774 -0.0881 -0.0234 -0.0375 199 GLN F CA 4641 C C . GLN C 221 ? 0.9366 0.9850 0.7175 -0.0741 -0.0212 -0.0401 199 GLN F C 4642 O O . GLN C 221 ? 0.9146 0.9885 0.7063 -0.0764 -0.0216 -0.0405 199 GLN F O 4643 C CB . GLN C 221 ? 0.9529 0.9704 0.6923 -0.1027 -0.0193 -0.0440 199 GLN F CB 4644 C CG . GLN C 221 ? 1.2014 1.1788 0.9089 -0.1189 -0.0194 -0.0432 199 GLN F CG 4645 C CD . GLN C 221 ? 1.4856 1.4212 1.1890 -0.1054 -0.0187 -0.0430 199 GLN F CD 4646 O OE1 . GLN C 221 ? 1.4595 1.3622 1.1553 -0.0980 -0.0238 -0.0357 199 GLN F OE1 4647 N NE2 . GLN C 221 ? 1.3822 1.3210 1.0913 -0.1016 -0.0129 -0.0512 199 GLN F NE2 4648 N N . PHE C 222 ? 0.8851 0.9315 0.6757 -0.0613 -0.0187 -0.0427 200 PHE F N 4649 C CA . PHE C 222 ? 0.8567 0.9261 0.6677 -0.0498 -0.0169 -0.0442 200 PHE F CA 4650 C C . PHE C 222 ? 0.8952 0.9941 0.7134 -0.0555 -0.0160 -0.0465 200 PHE F C 4651 O O . PHE C 222 ? 0.8956 1.0028 0.7069 -0.0638 -0.0150 -0.0489 200 PHE F O 4652 C CB . PHE C 222 ? 0.8788 0.9419 0.6928 -0.0417 -0.0151 -0.0472 200 PHE F CB 4653 C CG . PHE C 222 ? 0.8781 0.9589 0.7076 -0.0324 -0.0140 -0.0473 200 PHE F CG 4654 C CD1 . PHE C 222 ? 0.9117 0.9897 0.7471 -0.0227 -0.0138 -0.0473 200 PHE F CD1 4655 C CD2 . PHE C 222 ? 0.8963 0.9965 0.7322 -0.0342 -0.0136 -0.0468 200 PHE F CD2 4656 C CE1 . PHE C 222 ? 0.9106 1.0008 0.7549 -0.0180 -0.0124 -0.0476 200 PHE F CE1 4657 C CE2 . PHE C 222 ? 0.9212 1.0303 0.7674 -0.0266 -0.0135 -0.0451 200 PHE F CE2 4658 C CZ . PHE C 222 ? 0.8938 0.9958 0.7425 -0.0201 -0.0125 -0.0458 200 PHE F CZ 4659 N N . GLY C 223 ? 0.8385 0.9549 0.6706 -0.0511 -0.0159 -0.0468 201 GLY F N 4660 C CA . GLY C 223 ? 0.8267 0.9721 0.6693 -0.0519 -0.0154 -0.0504 201 GLY F CA 4661 C C . GLY C 223 ? 0.8806 1.0436 0.7201 -0.0648 -0.0162 -0.0545 201 GLY F C 4662 O O . GLY C 223 ? 0.8687 1.0609 0.7161 -0.0661 -0.0161 -0.0600 201 GLY F O 4663 N N . ASP C 224 ? 0.8497 0.9984 0.6779 -0.0744 -0.0178 -0.0520 202 ASP F N 4664 C CA . ASP C 224 ? 0.8523 1.0187 0.6747 -0.0912 -0.0194 -0.0554 202 ASP F CA 4665 C C . ASP C 224 ? 0.8853 1.0840 0.7306 -0.0865 -0.0167 -0.0631 202 ASP F C 4666 O O . ASP C 224 ? 0.8776 1.1065 0.7250 -0.0980 -0.0170 -0.0713 202 ASP F O 4667 C CB . ASP C 224 ? 0.8929 1.0346 0.6986 -0.1012 -0.0229 -0.0477 202 ASP F CB 4668 C CG . ASP C 224 ? 1.0056 1.1369 0.8214 -0.0890 -0.0226 -0.0421 202 ASP F CG 4669 O OD1 . ASP C 224 ? 1.0238 1.1450 0.8294 -0.0967 -0.0263 -0.0351 202 ASP F OD1 4670 O OD2 . ASP C 224 ? 1.0640 1.1982 0.8959 -0.0730 -0.0189 -0.0440 202 ASP F OD2 4671 N N . ILE C 225 ? 0.8325 1.0250 0.6938 -0.0702 -0.0135 -0.0621 203 ILE F N 4672 C CA . ILE C 225 ? 0.8176 1.0303 0.7004 -0.0622 -0.0092 -0.0700 203 ILE F CA 4673 C C . ILE C 225 ? 0.8631 1.0646 0.7552 -0.0435 -0.0076 -0.0679 203 ILE F C 4674 O O . ILE C 225 ? 0.8592 1.0369 0.7448 -0.0377 -0.0078 -0.0607 203 ILE F O 4675 C CB . ILE C 225 ? 0.8523 1.0684 0.7406 -0.0677 -0.0057 -0.0713 203 ILE F CB 4676 C CG1 . ILE C 225 ? 0.8490 1.0831 0.7591 -0.0605 0.0011 -0.0824 203 ILE F CG1 4677 C CG2 . ILE C 225 ? 0.8643 1.0542 0.7442 -0.0631 -0.0058 -0.0614 203 ILE F CG2 4678 C CD1 . ILE C 225 ? 0.9458 1.2055 0.8638 -0.0752 0.0051 -0.0911 203 ILE F CD1 4679 N N . GLN C 226 ? 0.8176 1.0377 0.7237 -0.0344 -0.0070 -0.0738 204 GLN F N 4680 C CA . GLN C 226 ? 0.8177 1.0266 0.7307 -0.0175 -0.0073 -0.0695 204 GLN F CA 4681 C C . GLN C 226 ? 0.8717 1.0852 0.8032 -0.0050 -0.0034 -0.0765 204 GLN F C 4682 O O . GLN C 226 ? 0.8643 1.1045 0.8086 -0.0041 -0.0026 -0.0869 204 GLN F O 4683 C CB . GLN C 226 ? 0.8379 1.0596 0.7470 -0.0152 -0.0121 -0.0660 204 GLN F CB 4684 C CG . GLN C 226 ? 1.0199 1.2279 0.9097 -0.0259 -0.0142 -0.0594 204 GLN F CG 4685 C CD . GLN C 226 ? 1.2600 1.4893 1.1438 -0.0306 -0.0170 -0.0590 204 GLN F CD 4686 O OE1 . GLN C 226 ? 1.1985 1.4603 1.0887 -0.0315 -0.0180 -0.0652 204 GLN F OE1 4687 N NE2 . GLN C 226 ? 1.1699 1.3857 1.0408 -0.0354 -0.0175 -0.0533 204 GLN F NE2 4688 N N . SER C 227 ? 0.8389 1.0262 0.7704 0.0037 -0.0007 -0.0719 205 SER F N 4689 C CA . SER C 227 ? 0.8492 1.0281 0.7936 0.0154 0.0040 -0.0774 205 SER F CA 4690 C C . SER C 227 ? 0.9186 1.0743 0.8590 0.0287 0.0001 -0.0666 205 SER F C 4691 O O . SER C 227 ? 0.9141 1.0504 0.8402 0.0240 -0.0008 -0.0580 205 SER F O 4692 C CB . SER C 227 ? 0.8942 1.0606 0.8363 0.0069 0.0124 -0.0822 205 SER F CB 4693 O OG . SER C 227 ? 1.0227 1.1797 0.9761 0.0155 0.0189 -0.0905 205 SER F OG 4694 N N . ARG C 228 ? 0.8932 1.0532 0.8460 0.0452 -0.0028 -0.0671 206 ARG F N 4695 C CA . ARG C 228 ? 0.9125 1.0514 0.8614 0.0583 -0.0083 -0.0544 206 ARG F CA 4696 C C . ARG C 228 ? 0.9808 1.0791 0.9165 0.0555 -0.0042 -0.0495 206 ARG F C 4697 O O . ARG C 228 ? 0.9843 1.0667 0.9062 0.0536 -0.0090 -0.0370 206 ARG F O 4698 C CB . ARG C 228 ? 0.9337 1.0840 0.9003 0.0798 -0.0123 -0.0563 206 ARG F CB 4699 C CG . ARG C 228 ? 1.0557 1.2512 1.0306 0.0824 -0.0187 -0.0576 206 ARG F CG 4700 C CD . ARG C 228 ? 1.1937 1.3936 1.1614 0.0878 -0.0278 -0.0409 206 ARG F CD 4701 N NE . ARG C 228 ? 1.3001 1.5458 1.2694 0.0821 -0.0316 -0.0428 206 ARG F NE 4702 C CZ . ARG C 228 ? 1.4997 1.7839 1.4843 0.0958 -0.0357 -0.0476 206 ARG F CZ 4703 N NH1 . ARG C 228 ? 1.3635 1.6435 1.3662 0.1199 -0.0372 -0.0508 206 ARG F NH1 4704 N NH2 . ARG C 228 ? 1.3290 1.6569 1.3103 0.0856 -0.0379 -0.0501 206 ARG F NH2 4705 N N . THR C 229 ? 0.9436 1.0294 0.8821 0.0520 0.0054 -0.0605 207 THR F N 4706 C CA . THR C 229 ? 0.9587 1.0101 0.8823 0.0448 0.0122 -0.0596 207 THR F CA 4707 C C . THR C 229 ? 0.9905 1.0533 0.9131 0.0285 0.0224 -0.0715 207 THR F C 4708 O O . THR C 229 ? 0.9687 1.0594 0.9057 0.0264 0.0245 -0.0813 207 THR F O 4709 C CB . THR C 229 ? 1.1078 1.1271 1.0347 0.0588 0.0148 -0.0610 207 THR F CB 4710 O OG1 . THR C 229 ? 1.1065 1.1426 1.0559 0.0686 0.0195 -0.0761 207 THR F OG1 4711 C CG2 . THR C 229 ? 1.1185 1.1199 1.0407 0.0736 0.0036 -0.0445 207 THR F CG2 4712 N N . PRO C 230 ? 0.9519 0.9989 0.8575 0.0153 0.0286 -0.0711 208 PRO F N 4713 C CA . PRO C 230 ? 0.9326 0.9979 0.8385 0.0004 0.0377 -0.0810 208 PRO F CA 4714 C C . PRO C 230 ? 0.9872 1.0551 0.9055 -0.0019 0.0490 -0.0962 208 PRO F C 4715 O O . PRO C 230 ? 0.9633 1.0563 0.8863 -0.0148 0.0554 -0.1046 208 PRO F O 4716 C CB . PRO C 230 ? 0.9596 1.0121 0.8435 -0.0116 0.0409 -0.0767 208 PRO F CB 4717 C CG . PRO C 230 ? 1.0454 1.0633 0.9169 -0.0059 0.0381 -0.0694 208 PRO F CG 4718 C CD . PRO C 230 ? 0.9916 1.0096 0.8757 0.0113 0.0273 -0.0618 208 PRO F CD 4719 N N . GLU C 231 ? 0.9711 1.0136 0.8949 0.0107 0.0512 -0.0998 209 GLU F N 4720 C CA . GLU C 231 ? 0.9821 1.0222 0.9192 0.0110 0.0628 -0.1170 209 GLU F CA 4721 C C . GLU C 231 ? 1.0149 1.0824 0.9791 0.0248 0.0591 -0.1265 209 GLU F C 4722 O O . GLU C 231 ? 1.0168 1.0930 0.9965 0.0241 0.0688 -0.1443 209 GLU F O 4723 C CB . GLU C 231 ? 1.0445 1.0341 0.9695 0.0170 0.0686 -0.1171 209 GLU F CB 4724 C CG . GLU C 231 ? 1.1946 1.1626 1.0919 -0.0034 0.0776 -0.1156 209 GLU F CG 4725 C CD . GLU C 231 ? 1.4593 1.4151 1.3337 -0.0070 0.0679 -0.0979 209 GLU F CD 4726 O OE1 . GLU C 231 ? 1.4187 1.3471 1.2876 0.0065 0.0580 -0.0855 209 GLU F OE1 4727 O OE2 . GLU C 231 ? 1.3643 1.3405 1.2266 -0.0235 0.0701 -0.0968 209 GLU F OE2 4728 N N . SER C 232 ? 0.9514 1.0362 0.9206 0.0354 0.0458 -0.1164 210 SER F N 4729 C CA . SER C 232 ? 0.9380 1.0558 0.9295 0.0475 0.0404 -0.1242 210 SER F CA 4730 C C . SER C 232 ? 0.9588 1.1180 0.9646 0.0327 0.0472 -0.1419 210 SER F C 4731 O O . SER C 232 ? 0.9323 1.1068 0.9287 0.0124 0.0491 -0.1399 210 SER F O 4732 C CB . SER C 232 ? 0.9681 1.1016 0.9552 0.0527 0.0269 -0.1096 210 SER F CB 4733 O OG . SER C 232 ? 1.0733 1.2441 1.0788 0.0620 0.0218 -0.1175 210 SER F OG 4734 N N . LYS C 233 ? 0.9173 1.0960 0.9461 0.0432 0.0503 -0.1594 211 LYS F N 4735 C CA . LYS C 233 ? 0.8944 1.1184 0.9393 0.0282 0.0566 -0.1792 211 LYS F CA 4736 C C . LYS C 233 ? 0.9121 1.1802 0.9589 0.0219 0.0460 -0.1770 211 LYS F C 4737 O O . LYS C 233 ? 0.8874 1.1855 0.9310 -0.0013 0.0475 -0.1813 211 LYS F O 4738 C CB . LYS C 233 ? 0.9474 1.1766 1.0174 0.0422 0.0650 -0.2024 211 LYS F CB 4739 C CG . LYS C 233 ? 1.1582 1.3434 1.2243 0.0424 0.0787 -0.2092 211 LYS F CG 4740 C CD . LYS C 233 ? 1.2741 1.4807 1.3413 0.0134 0.0934 -0.2250 211 LYS F CD 4741 C CE . LYS C 233 ? 1.4437 1.6078 1.5034 0.0099 0.1090 -0.2329 211 LYS F CE 4742 N NZ . LYS C 233 ? 1.5911 1.7429 1.6732 0.0285 0.1172 -0.2553 211 LYS F NZ 4743 N N . ASP C 234 ? 0.8664 1.1384 0.9159 0.0409 0.0354 -0.1693 212 ASP F N 4744 C CA . ASP C 234 ? 0.8434 1.1557 0.8911 0.0346 0.0260 -0.1674 212 ASP F CA 4745 C C . ASP C 234 ? 0.8696 1.1634 0.8918 0.0246 0.0189 -0.1456 212 ASP F C 4746 O O . ASP C 234 ? 0.8753 1.1321 0.8873 0.0355 0.0165 -0.1306 212 ASP F O 4747 C CB . ASP C 234 ? 0.8793 1.2122 0.9433 0.0597 0.0191 -0.1716 212 ASP F CB 4748 C CG . ASP C 234 ? 1.0322 1.3719 1.1232 0.0792 0.0253 -0.1920 212 ASP F CG 4749 O OD1 . ASP C 234 ? 1.0643 1.3579 1.1569 0.0947 0.0299 -0.1888 212 ASP F OD1 4750 O OD2 . ASP C 234 ? 1.1024 1.4932 1.2120 0.0786 0.0256 -0.2121 212 ASP F OD2 4751 N N . VAL C 235 ? 0.7977 1.1159 0.8084 0.0027 0.0159 -0.1446 213 VAL F N 4752 C CA . VAL C 235 ? 0.7837 1.0848 0.7706 -0.0076 0.0099 -0.1268 213 VAL F CA 4753 C C . VAL C 235 ? 0.8113 1.1442 0.7894 -0.0197 0.0031 -0.1274 213 VAL F C 4754 O O . VAL C 235 ? 0.8006 1.1727 0.7864 -0.0304 0.0037 -0.1419 213 VAL F O 4755 C CB . VAL C 235 ? 0.8278 1.1090 0.8009 -0.0243 0.0138 -0.1205 213 VAL F CB 4756 C CG1 . VAL C 235 ? 0.8334 1.0802 0.8070 -0.0147 0.0201 -0.1167 213 VAL F CG1 4757 C CG2 . VAL C 235 ? 0.8169 1.1286 0.7940 -0.0454 0.0176 -0.1321 213 VAL F CG2 4758 N N . TYR C 236 ? 0.7587 1.0763 0.7190 -0.0208 -0.0027 -0.1131 214 TYR F N 4759 C CA . TYR C 236 ? 0.7511 1.0917 0.6964 -0.0363 -0.0077 -0.1128 214 TYR F CA 4760 C C . TYR C 236 ? 0.7902 1.1139 0.7143 -0.0590 -0.0080 -0.1067 214 TYR F C 4761 O O . TYR C 236 ? 0.7851 1.0737 0.7025 -0.0563 -0.0068 -0.0964 214 TYR F O 4762 C CB . TYR C 236 ? 0.7704 1.1042 0.7072 -0.0272 -0.0123 -0.1019 214 TYR F CB 4763 C CG . TYR C 236 ? 0.7954 1.1412 0.7095 -0.0478 -0.0154 -0.0998 214 TYR F CG 4764 C CD1 . TYR C 236 ? 0.8213 1.2133 0.7342 -0.0582 -0.0170 -0.1109 214 TYR F CD1 4765 C CD2 . TYR C 236 ? 0.8107 1.1218 0.7029 -0.0581 -0.0160 -0.0884 214 TYR F CD2 4766 C CE1 . TYR C 236 ? 0.8402 1.2405 0.7271 -0.0812 -0.0185 -0.1098 214 TYR F CE1 4767 C CE2 . TYR C 236 ? 0.8323 1.1472 0.7006 -0.0783 -0.0176 -0.0875 214 TYR F CE2 4768 C CZ . TYR C 236 ? 0.9280 1.2861 0.7920 -0.0913 -0.0185 -0.0977 214 TYR F CZ 4769 O OH . TYR C 236 ? 0.9527 1.3122 0.7886 -0.1149 -0.0189 -0.0975 214 TYR F OH 4770 N N . ALA C 237 ? 0.7409 1.0901 0.6534 -0.0814 -0.0101 -0.1129 215 ALA F N 4771 C CA . ALA C 237 ? 0.7413 1.0720 0.6311 -0.1032 -0.0121 -0.1052 215 ALA F CA 4772 C C . ALA C 237 ? 0.7928 1.1353 0.6574 -0.1262 -0.0165 -0.1055 215 ALA F C 4773 O O . ALA C 237 ? 0.7861 1.1715 0.6532 -0.1363 -0.0170 -0.1185 215 ALA F O 4774 C CB . ALA C 237 ? 0.7442 1.0879 0.6428 -0.1141 -0.0091 -0.1115 215 ALA F CB 4775 N N . ASN C 238 ? 0.7561 1.0601 0.5952 -0.1349 -0.0193 -0.0924 216 ASN F N 4776 C CA . ASN C 238 ? 0.7714 1.0706 0.5790 -0.1593 -0.0227 -0.0903 216 ASN F CA 4777 C C . ASN C 238 ? 0.8299 1.0810 0.6161 -0.1673 -0.0258 -0.0760 216 ASN F C 4778 O O . ASN C 238 ? 0.8331 1.0456 0.6109 -0.1568 -0.0258 -0.0667 216 ASN F O 4779 C CB . ASN C 238 ? 0.7811 1.0808 0.5811 -0.1543 -0.0216 -0.0903 216 ASN F CB 4780 C CG . ASN C 238 ? 1.0837 1.3817 0.8491 -0.1822 -0.0229 -0.0911 216 ASN F CG 4781 O OD1 . ASN C 238 ? 1.0228 1.3331 0.7699 -0.2080 -0.0252 -0.0952 216 ASN F OD1 4782 N ND2 . ASN C 238 ? 0.9939 1.2783 0.7477 -0.1804 -0.0208 -0.0880 216 ASN F ND2 4783 N N . THR C 239 ? 0.6954 1.1708 0.8687 -0.0788 -0.0036 0.0570 217 THR F N 4784 C CA . THR C 239 ? 0.6841 1.1079 0.8666 -0.0810 0.0076 0.0249 217 THR F CA 4785 C C . THR C 239 ? 0.7193 1.1138 0.9167 -0.0870 0.0111 -0.0091 217 THR F C 4786 O O . THR C 239 ? 0.7091 1.0610 0.9200 -0.0872 0.0208 -0.0316 217 THR F O 4787 C CB . THR C 239 ? 0.7705 1.1351 0.9644 -0.0634 0.0094 0.0472 217 THR F CB 4788 O OG1 . THR C 239 ? 0.7499 1.0795 0.9566 -0.0502 0.0027 0.0659 217 THR F OG1 4789 C CG2 . THR C 239 ? 0.7588 1.1456 0.9446 -0.0589 0.0106 0.0770 217 THR F CG2 4790 N N . GLN C 240 ? 0.6709 1.0896 0.8694 -0.0916 0.0041 -0.0108 218 GLN F N 4791 C CA . GLN C 240 ? 0.6632 1.0580 0.8788 -0.0978 0.0080 -0.0391 218 GLN F CA 4792 C C . GLN C 240 ? 0.6898 1.0097 0.9231 -0.0820 0.0099 -0.0303 218 GLN F C 4793 O O . GLN C 240 ? 0.6848 0.9697 0.9356 -0.0853 0.0194 -0.0545 218 GLN F O 4794 C CB . GLN C 240 ? 0.6969 1.1117 0.9188 -0.1186 0.0213 -0.0867 218 GLN F CB 4795 C CG . GLN C 240 ? 0.9210 1.4084 1.1347 -0.1387 0.0187 -0.1076 218 GLN F CG 4796 C CD . GLN C 240 ? 1.1928 1.6905 1.4224 -0.1602 0.0355 -0.1613 218 GLN F CD 4797 O OE1 . GLN C 240 ? 1.1528 1.6776 1.3760 -0.1719 0.0451 -0.1834 218 GLN F OE1 4798 N NE2 . GLN C 240 ? 1.0972 1.5729 1.3517 -0.1664 0.0416 -0.1845 218 GLN F NE2 4799 N N . LEU C 241 ? 0.6297 0.9289 0.8609 -0.0654 0.0018 0.0051 219 LEU F N 4800 C CA . LEU C 241 ? 0.6110 0.8503 0.8549 -0.0513 0.0022 0.0156 219 LEU F CA 4801 C C . LEU C 241 ? 0.6530 0.8792 0.9081 -0.0523 0.0008 0.0088 219 LEU F C 4802 O O . LEU C 241 ? 0.6473 0.9002 0.9005 -0.0524 -0.0064 0.0207 219 LEU F O 4803 C CB . LEU C 241 ? 0.6034 0.8329 0.8451 -0.0364 -0.0036 0.0505 219 LEU F CB 4804 C CG . LEU C 241 ? 0.6506 0.8261 0.9022 -0.0237 -0.0015 0.0588 219 LEU F CG 4805 C CD1 . LEU C 241 ? 0.6493 0.8233 0.9028 -0.0135 -0.0033 0.0865 219 LEU F CD1 4806 C CD2 . LEU C 241 ? 0.6753 0.8230 0.9365 -0.0194 -0.0031 0.0576 219 LEU F CD2 4807 N N . VAL C 242 ? 0.6053 0.7922 0.8749 -0.0528 0.0085 -0.0080 220 VAL F N 4808 C CA . VAL C 242 ? 0.5993 0.7680 0.8825 -0.0538 0.0101 -0.0137 220 VAL F CA 4809 C C . VAL C 242 ? 0.6350 0.7522 0.9273 -0.0415 0.0128 -0.0034 220 VAL F C 4810 O O . VAL C 242 ? 0.6318 0.7271 0.9323 -0.0400 0.0195 -0.0110 220 VAL F O 4811 C CB . VAL C 242 ? 0.6624 0.8463 0.9599 -0.0708 0.0196 -0.0471 220 VAL F CB 4812 C CG1 . VAL C 242 ? 0.6588 0.8219 0.9737 -0.0717 0.0228 -0.0501 220 VAL F CG1 4813 C CG2 . VAL C 242 ? 0.6705 0.9169 0.9563 -0.0855 0.0162 -0.0602 220 VAL F CG2 4814 N N . LEU C 243 ? 0.5786 0.6814 0.8706 -0.0332 0.0077 0.0141 221 LEU F N 4815 C CA . LEU C 243 ? 0.5687 0.6332 0.8660 -0.0231 0.0092 0.0245 221 LEU F CA 4816 C C . LEU C 243 ? 0.6200 0.6649 0.9344 -0.0269 0.0173 0.0149 221 LEU F C 4817 O O . LEU C 243 ? 0.6194 0.6763 0.9414 -0.0351 0.0197 0.0055 221 LEU F O 4818 C CB . LEU C 243 ? 0.5602 0.6210 0.8512 -0.0140 0.0029 0.0442 221 LEU F CB 4819 C CG . LEU C 243 ? 0.6149 0.6865 0.8979 -0.0079 -0.0019 0.0580 221 LEU F CG 4820 C CD1 . LEU C 243 ? 0.6112 0.6839 0.8977 -0.0014 -0.0048 0.0731 221 LEU F CD1 4821 C CD2 . LEU C 243 ? 0.6445 0.6961 0.9259 -0.0024 -0.0001 0.0597 221 LEU F CD2 4822 N N . GLN C 244 ? 0.5744 0.5919 0.8983 -0.0208 0.0220 0.0189 222 GLN F N 4823 C CA . GLN C 244 ? 0.5797 0.5763 0.9258 -0.0220 0.0316 0.0164 222 GLN F CA 4824 C C . GLN C 244 ? 0.6207 0.6010 0.9641 -0.0130 0.0290 0.0374 222 GLN F C 4825 O O . GLN C 244 ? 0.6074 0.5888 0.9338 -0.0055 0.0210 0.0500 222 GLN F O 4826 C CB . GLN C 244 ? 0.6056 0.5885 0.9716 -0.0214 0.0407 0.0082 222 GLN F CB 4827 C CG . GLN C 244 ? 0.8206 0.8220 1.1936 -0.0334 0.0473 -0.0187 222 GLN F CG 4828 C CD . GLN C 244 ? 1.0890 1.0775 1.4837 -0.0321 0.0574 -0.0281 222 GLN F CD 4829 O OE1 . GLN C 244 ? 1.0278 0.9990 1.4264 -0.0203 0.0555 -0.0115 222 GLN F OE1 4830 N NE2 . GLN C 244 ? 1.0145 1.0159 1.4254 -0.0451 0.0688 -0.0569 222 GLN F NE2 4831 N N . ARG C 245 ? 0.5806 0.5480 0.9426 -0.0149 0.0374 0.0402 223 ARG F N 4832 C CA . ARG C 245 ? 0.5764 0.5338 0.9362 -0.0081 0.0368 0.0609 223 ARG F CA 4833 C C . ARG C 245 ? 0.6232 0.5715 0.9840 0.0022 0.0351 0.0771 223 ARG F C 4834 O O . ARG C 245 ? 0.6254 0.5635 1.0082 0.0038 0.0420 0.0754 223 ARG F O 4835 C CB . ARG C 245 ? 0.5874 0.5352 0.9706 -0.0137 0.0483 0.0615 223 ARG F CB 4836 C CG . ARG C 245 ? 0.7105 0.6540 1.0892 -0.0080 0.0485 0.0845 223 ARG F CG 4837 C CD . ARG C 245 ? 0.8327 0.7669 1.2362 -0.0141 0.0613 0.0869 223 ARG F CD 4838 N NE . ARG C 245 ? 0.9248 0.8580 1.3238 -0.0083 0.0628 0.1129 223 ARG F NE 4839 C CZ . ARG C 245 ? 1.0792 1.0246 1.4588 -0.0096 0.0588 0.1174 223 ARG F CZ 4840 N NH1 . ARG C 245 ? 0.9098 0.8671 1.2764 -0.0149 0.0530 0.1003 223 ARG F NH1 4841 N NH2 . ARG C 245 ? 0.9026 0.8519 1.2772 -0.0057 0.0614 0.1402 223 ARG F NH2 4842 N N . PRO C 246 ? 0.5706 0.5261 0.9111 0.0086 0.0268 0.0911 224 PRO F N 4843 C CA . PRO C 246 ? 0.5701 0.5261 0.9111 0.0172 0.0237 0.1058 224 PRO F CA 4844 C C . PRO C 246 ? 0.6319 0.5806 0.9949 0.0217 0.0312 0.1258 224 PRO F C 4845 O O . PRO C 246 ? 0.6352 0.5791 1.0070 0.0183 0.0381 0.1316 224 PRO F O 4846 C CB . PRO C 246 ? 0.5851 0.5563 0.9003 0.0190 0.0149 0.1102 224 PRO F CB 4847 C CG . PRO C 246 ? 0.6403 0.6138 0.9486 0.0136 0.0169 0.1063 224 PRO F CG 4848 C CD . PRO C 246 ? 0.5821 0.5489 0.9019 0.0075 0.0210 0.0919 224 PRO F CD 4849 N N . ALA C 247 ? 0.5893 0.5392 0.9644 0.0298 0.0302 0.1386 225 ALA F N 4850 C CA . ALA C 247 ? 0.6018 0.5488 1.0031 0.0371 0.0369 0.1648 225 ALA F CA 4851 C C . ALA C 247 ? 0.6536 0.6197 1.0372 0.0391 0.0327 0.1876 225 ALA F C 4852 O O . ALA C 247 ? 0.6384 0.6231 0.9897 0.0366 0.0229 0.1817 225 ALA F O 4853 C CB . ALA C 247 ? 0.6128 0.5644 1.0293 0.0462 0.0342 0.1740 225 ALA F CB 4854 N N . ALA C 248 ? 0.6273 0.5899 1.0347 0.0427 0.0421 0.2131 226 ALA F N 4855 C CA . ALA C 248 ? 0.6355 0.6201 1.0286 0.0440 0.0405 0.2388 226 ALA F CA 4856 C C . ALA C 248 ? 0.6809 0.7025 1.0477 0.0488 0.0266 0.2514 226 ALA F C 4857 O O . ALA C 248 ? 0.6781 0.7093 1.0589 0.0575 0.0227 0.2655 226 ALA F O 4858 C CB . ALA C 248 ? 0.6682 0.6429 1.0999 0.0493 0.0545 0.2697 226 ALA F CB 4859 N N . GLY C 249 ? 0.6317 0.6753 0.9631 0.0422 0.0202 0.2423 227 GLY F N 4860 C CA . GLY C 249 ? 0.6294 0.7136 0.9333 0.0421 0.0086 0.2454 227 GLY F CA 4861 C C . GLY C 249 ? 0.6611 0.7484 0.9592 0.0432 -0.0006 0.2258 227 GLY F C 4862 O O . GLY C 249 ? 0.6580 0.7804 0.9450 0.0449 -0.0096 0.2324 227 GLY F O 4863 N N . THR C 250 ? 0.6018 0.6568 0.9078 0.0412 0.0018 0.2016 228 THR F N 4864 C CA . THR C 250 ? 0.5855 0.6388 0.8897 0.0419 -0.0044 0.1834 228 THR F CA 4865 C C . THR C 250 ? 0.6183 0.6616 0.9057 0.0341 -0.0051 0.1545 228 THR F C 4866 O O . THR C 250 ? 0.6071 0.6287 0.8978 0.0305 0.0007 0.1450 228 THR F O 4867 C CB . THR C 250 ? 0.6843 0.7139 1.0194 0.0483 0.0005 0.1867 228 THR F CB 4868 O OG1 . THR C 250 ? 0.6996 0.7402 1.0571 0.0574 0.0021 0.2176 228 THR F OG1 4869 C CG2 . THR C 250 ? 0.6508 0.6789 0.9856 0.0487 -0.0044 0.1689 228 THR F CG2 4870 N N . VAL C 251 ? 0.5691 0.6302 0.8426 0.0314 -0.0113 0.1413 229 VAL F N 4871 C CA . VAL C 251 ? 0.5543 0.6062 0.8196 0.0256 -0.0103 0.1176 229 VAL F CA 4872 C C . VAL C 251 ? 0.5911 0.6275 0.8670 0.0278 -0.0111 0.1085 229 VAL F C 4873 O O . VAL C 251 ? 0.5846 0.6333 0.8626 0.0294 -0.0155 0.1064 229 VAL F O 4874 C CB . VAL C 251 ? 0.6061 0.6837 0.8569 0.0192 -0.0120 0.1045 229 VAL F CB 4875 C CG1 . VAL C 251 ? 0.5940 0.6565 0.8458 0.0146 -0.0069 0.0848 229 VAL F CG1 4876 C CG2 . VAL C 251 ? 0.6174 0.7210 0.8555 0.0161 -0.0113 0.1142 229 VAL F CG2 4877 N N . HIS C 252 ? 0.5399 0.5536 0.8224 0.0271 -0.0067 0.1028 230 HIS F N 4878 C CA . HIS C 252 ? 0.5287 0.5307 0.8189 0.0274 -0.0059 0.0935 230 HIS F CA 4879 C C . HIS C 252 ? 0.5707 0.5606 0.8612 0.0235 -0.0018 0.0861 230 HIS F C 4880 O O . HIS C 252 ? 0.5661 0.5536 0.8551 0.0213 0.0006 0.0889 230 HIS F O 4881 C CB . HIS C 252 ? 0.5426 0.5413 0.8494 0.0326 -0.0052 0.1003 230 HIS F CB 4882 C CG . HIS C 252 ? 0.5925 0.5764 0.9159 0.0334 0.0018 0.1051 230 HIS F CG 4883 N ND1 . HIS C 252 ? 0.6231 0.6053 0.9489 0.0334 0.0048 0.1167 230 HIS F ND1 4884 C CD2 . HIS C 252 ? 0.6166 0.5883 0.9586 0.0331 0.0083 0.0979 230 HIS F CD2 4885 C CE1 . HIS C 252 ? 0.6225 0.5890 0.9708 0.0331 0.0135 0.1162 230 HIS F CE1 4886 N NE2 . HIS C 252 ? 0.6235 0.5840 0.9825 0.0325 0.0162 0.1032 230 HIS F NE2 4887 N N . VAL C 253 ? 0.5219 0.5089 0.8140 0.0220 -0.0011 0.0775 231 VAL F N 4888 C CA . VAL C 253 ? 0.5167 0.5028 0.8080 0.0175 0.0013 0.0716 231 VAL F CA 4889 C C . VAL C 253 ? 0.5680 0.5519 0.8687 0.0148 0.0053 0.0637 231 VAL F C 4890 O O . VAL C 253 ? 0.5607 0.5503 0.8598 0.0135 0.0055 0.0582 231 VAL F O 4891 C CB . VAL C 253 ? 0.5595 0.5527 0.8451 0.0167 0.0000 0.0706 231 VAL F CB 4892 C CG1 . VAL C 253 ? 0.5567 0.5577 0.8416 0.0129 0.0006 0.0697 231 VAL F CG1 4893 C CG2 . VAL C 253 ? 0.5559 0.5504 0.8393 0.0183 -0.0005 0.0729 231 VAL F CG2 4894 N N . PRO C 254 ? 0.5302 0.5065 0.8439 0.0131 0.0106 0.0620 232 PRO F N 4895 C CA . PRO C 254 ? 0.5331 0.5081 0.8611 0.0086 0.0178 0.0487 232 PRO F CA 4896 C C . PRO C 254 ? 0.5805 0.5710 0.9012 -0.0008 0.0188 0.0353 232 PRO F C 4897 O O . PRO C 254 ? 0.5730 0.5704 0.8861 -0.0035 0.0159 0.0379 232 PRO F O 4898 C CB . PRO C 254 ? 0.5657 0.5265 0.9169 0.0097 0.0255 0.0522 232 PRO F CB 4899 C CG . PRO C 254 ? 0.6220 0.5816 0.9647 0.0110 0.0224 0.0646 232 PRO F CG 4900 C CD . PRO C 254 ? 0.5554 0.5248 0.8747 0.0142 0.0127 0.0710 232 PRO F CD 4901 N N . TYR C 255 ? 0.5396 0.5409 0.8624 -0.0062 0.0227 0.0216 233 TYR F N 4902 C CA . TYR C 255 ? 0.5398 0.5673 0.8533 -0.0163 0.0228 0.0094 233 TYR F CA 4903 C C . TYR C 255 ? 0.6016 0.6406 0.9256 -0.0257 0.0324 -0.0134 233 TYR F C 4904 O O . TYR C 255 ? 0.5979 0.6245 0.9345 -0.0223 0.0379 -0.0171 233 TYR F O 4905 C CB . TYR C 255 ? 0.5462 0.5903 0.8397 -0.0131 0.0144 0.0227 233 TYR F CB 4906 C CG . TYR C 255 ? 0.5650 0.6075 0.8558 -0.0091 0.0148 0.0258 233 TYR F CG 4907 C CD1 . TYR C 255 ? 0.5953 0.6612 0.8802 -0.0157 0.0178 0.0176 233 TYR F CD1 4908 C CD2 . TYR C 255 ? 0.5679 0.5906 0.8619 0.0000 0.0124 0.0364 233 TYR F CD2 4909 C CE1 . TYR C 255 ? 0.6028 0.6675 0.8869 -0.0126 0.0195 0.0207 233 TYR F CE1 4910 C CE2 . TYR C 255 ? 0.5776 0.6004 0.8721 0.0027 0.0134 0.0376 233 TYR F CE2 4911 C CZ . TYR C 255 ? 0.6730 0.7146 0.9633 -0.0032 0.0173 0.0304 233 TYR F CZ 4912 O OH . TYR C 255 ? 0.6792 0.7211 0.9715 -0.0011 0.0194 0.0320 233 TYR F OH 4913 N N . SER C 256 ? 0.5674 0.6351 0.8873 -0.0384 0.0346 -0.0298 234 SER F N 4914 C CA . SER C 256 ? 0.5784 0.6683 0.9055 -0.0514 0.0446 -0.0571 234 SER F CA 4915 C C . SER C 256 ? 0.6271 0.7598 0.9274 -0.0570 0.0375 -0.0539 234 SER F C 4916 O O . SER C 256 ? 0.6189 0.7734 0.9045 -0.0575 0.0282 -0.0415 234 SER F O 4917 C CB . SER C 256 ? 0.6354 0.7310 0.9832 -0.0645 0.0548 -0.0824 234 SER F CB 4918 O OG . SER C 256 ? 0.7438 0.8635 1.0784 -0.0700 0.0469 -0.0793 234 SER F OG 4919 N N . GLN C 257 ? 0.5865 0.7322 0.8824 -0.0598 0.0421 -0.0614 235 GLN F N 4920 C CA . GLN C 257 ? 0.5864 0.7748 0.8579 -0.0644 0.0368 -0.0537 235 GLN F CA 4921 C C . GLN C 257 ? 0.6480 0.8598 0.9209 -0.0760 0.0482 -0.0787 235 GLN F C 4922 O O . GLN C 257 ? 0.6434 0.8266 0.9361 -0.0732 0.0580 -0.0906 235 GLN F O 4923 C CB . GLN C 257 ? 0.5906 0.7627 0.8519 -0.0494 0.0282 -0.0207 235 GLN F CB 4924 C CG . GLN C 257 ? 0.7701 0.9822 1.0110 -0.0502 0.0215 0.0000 235 GLN F CG 4925 C CD . GLN C 257 ? 0.9861 1.1762 1.2268 -0.0362 0.0173 0.0291 235 GLN F CD 4926 O OE1 . GLN C 257 ? 0.9214 1.0764 1.1722 -0.0290 0.0203 0.0288 235 GLN F OE1 4927 N NE2 . GLN C 257 ? 0.8801 1.0940 1.1131 -0.0326 0.0113 0.0549 235 GLN F NE2 4928 N N . ALA C 258 ? 0.6158 0.8839 0.8690 -0.0891 0.0473 -0.0857 236 ALA F N 4929 C CA . ALA C 258 ? 0.6298 0.9311 0.8799 -0.1027 0.0588 -0.1109 236 ALA F CA 4930 C C . ALA C 258 ? 0.6723 0.9605 0.9160 -0.0924 0.0589 -0.0906 236 ALA F C 4931 O O . ALA C 258 ? 0.6590 0.9503 0.8871 -0.0823 0.0482 -0.0560 236 ALA F O 4932 C CB . ALA C 258 ? 0.6549 1.0291 0.8811 -0.1194 0.0555 -0.1184 236 ALA F CB 4933 N N . PRO C 259 ? 0.6318 0.9028 0.8929 -0.0941 0.0721 -0.1113 237 PRO F N 4934 C CA . PRO C 259 ? 0.6235 0.8820 0.8815 -0.0847 0.0727 -0.0933 237 PRO F CA 4935 C C . PRO C 259 ? 0.6798 0.9883 0.9092 -0.0905 0.0699 -0.0769 237 PRO F C 4936 O O . PRO C 259 ? 0.6901 1.0531 0.9027 -0.1059 0.0716 -0.0899 237 PRO F O 4937 C CB . PRO C 259 ? 0.6533 0.8954 0.9387 -0.0889 0.0893 -0.1247 237 PRO F CB 4938 C CG . PRO C 259 ? 0.7137 0.9374 1.0248 -0.0934 0.0960 -0.1495 237 PRO F CG 4939 C CD . PRO C 259 ? 0.6629 0.9243 0.9531 -0.1044 0.0888 -0.1519 237 PRO F CD 4940 N N . SER C 260 ? 0.7719 0.8388 0.5450 -0.0970 -0.0445 0.0037 238 SER F N 4941 C CA . SER C 260 ? 0.7380 0.8210 0.5324 -0.0820 -0.0362 -0.0079 238 SER F CA 4942 C C . SER C 260 ? 0.7951 0.8498 0.5855 -0.0674 -0.0353 -0.0108 238 SER F C 4943 O O . SER C 260 ? 0.8091 0.8379 0.5930 -0.0545 -0.0387 -0.0050 238 SER F O 4944 C CB . SER C 260 ? 0.7605 0.8675 0.5728 -0.0717 -0.0324 -0.0077 238 SER F CB 4945 O OG . SER C 260 ? 0.8410 0.9582 0.6690 -0.0599 -0.0249 -0.0179 238 SER F OG 4946 N N . GLY C 261 ? 0.7382 0.8010 0.5329 -0.0701 -0.0308 -0.0202 239 GLY F N 4947 C CA . GLY C 261 ? 0.7399 0.7850 0.5323 -0.0609 -0.0287 -0.0246 239 GLY F CA 4948 C C . GLY C 261 ? 0.7734 0.8216 0.5805 -0.0420 -0.0258 -0.0269 239 GLY F C 4949 O O . GLY C 261 ? 0.7808 0.8093 0.5837 -0.0327 -0.0261 -0.0285 239 GLY F O 4950 N N . PHE C 262 ? 0.7040 0.7780 0.5270 -0.0382 -0.0225 -0.0288 240 PHE F N 4951 C CA . PHE C 262 ? 0.6868 0.7684 0.5205 -0.0248 -0.0191 -0.0318 240 PHE F CA 4952 C C . PHE C 262 ? 0.7478 0.8210 0.5776 -0.0148 -0.0225 -0.0267 240 PHE F C 4953 O O . PHE C 262 ? 0.7443 0.8126 0.5755 -0.0028 -0.0221 -0.0304 240 PHE F O 4954 C CB . PHE C 262 ? 0.6874 0.7947 0.5346 -0.0273 -0.0135 -0.0356 240 PHE F CB 4955 C CG . PHE C 262 ? 0.6968 0.8126 0.5500 -0.0187 -0.0092 -0.0388 240 PHE F CG 4956 C CD1 . PHE C 262 ? 0.7320 0.8431 0.5861 -0.0130 -0.0075 -0.0430 240 PHE F CD1 4957 C CD2 . PHE C 262 ? 0.7193 0.8519 0.5754 -0.0195 -0.0066 -0.0377 240 PHE F CD2 4958 C CE1 . PHE C 262 ? 0.7383 0.8584 0.5937 -0.0091 -0.0036 -0.0466 240 PHE F CE1 4959 C CE2 . PHE C 262 ? 0.7481 0.8920 0.6060 -0.0149 -0.0017 -0.0420 240 PHE F CE2 4960 C CZ . PHE C 262 ? 0.7229 0.8592 0.5794 -0.0103 -0.0004 -0.0467 240 PHE F CZ 4961 N N . LYS C 263 ? 0.7142 0.7891 0.5392 -0.0197 -0.0265 -0.0184 241 LYS F N 4962 C CA . LYS C 263 ? 0.7284 0.7977 0.5496 -0.0086 -0.0317 -0.0107 241 LYS F CA 4963 C C . LYS C 263 ? 0.8108 0.8429 0.6201 0.0016 -0.0368 -0.0091 241 LYS F C 4964 O O . LYS C 263 ? 0.8145 0.8424 0.6263 0.0191 -0.0390 -0.0097 241 LYS F O 4965 C CB . LYS C 263 ? 0.7668 0.8456 0.5832 -0.0197 -0.0361 0.0003 241 LYS F CB 4966 C CG . LYS C 263 ? 0.9163 1.0356 0.7458 -0.0256 -0.0303 -0.0017 241 LYS F CG 4967 C CD . LYS C 263 ? 1.0543 1.1889 0.8839 -0.0174 -0.0343 0.0079 241 LYS F CD 4968 C CE . LYS C 263 ? 1.1749 1.3481 1.0169 -0.0162 -0.0256 0.0008 241 LYS F CE 4969 N NZ . LYS C 263 ? 1.2800 1.4826 1.1286 -0.0367 -0.0186 -0.0023 241 LYS F NZ 4970 N N . TYR C 264 ? 0.7869 0.7942 0.5832 -0.0101 -0.0380 -0.0091 242 TYR F N 4971 C CA . TYR C 264 ? 0.8194 0.7871 0.6016 -0.0048 -0.0407 -0.0099 242 TYR F CA 4972 C C . TYR C 264 ? 0.8583 0.8287 0.6500 0.0059 -0.0353 -0.0227 242 TYR F C 4973 O O . TYR C 264 ? 0.8734 0.8245 0.6636 0.0208 -0.0369 -0.0260 242 TYR F O 4974 C CB . TYR C 264 ? 0.8562 0.8017 0.6187 -0.0256 -0.0416 -0.0079 242 TYR F CB 4975 C CG . TYR C 264 ? 0.9233 0.8213 0.6662 -0.0234 -0.0435 -0.0083 242 TYR F CG 4976 C CD1 . TYR C 264 ? 0.9892 0.8513 0.7187 -0.0143 -0.0511 0.0022 242 TYR F CD1 4977 C CD2 . TYR C 264 ? 0.9374 0.8258 0.6749 -0.0306 -0.0373 -0.0193 242 TYR F CD2 4978 C CE1 . TYR C 264 ? 1.0466 0.8581 0.7570 -0.0112 -0.0520 0.0006 242 TYR F CE1 4979 C CE2 . TYR C 264 ? 0.9920 0.8353 0.7106 -0.0308 -0.0369 -0.0221 242 TYR F CE2 4980 C CZ . TYR C 264 ? 1.1308 0.9324 0.8355 -0.0206 -0.0439 -0.0128 242 TYR F CZ 4981 O OH . TYR C 264 ? 1.1916 0.9421 0.8765 -0.0199 -0.0428 -0.0167 242 TYR F OH 4982 N N . TRP C 265 ? 0.7860 0.7819 0.5879 -0.0012 -0.0294 -0.0299 243 TRP F N 4983 C CA . TRP C 265 ? 0.7730 0.7772 0.5831 0.0046 -0.0249 -0.0405 243 TRP F CA 4984 C C . TRP C 265 ? 0.8172 0.8366 0.6378 0.0209 -0.0249 -0.0446 243 TRP F C 4985 O O . TRP C 265 ? 0.8183 0.8334 0.6408 0.0292 -0.0239 -0.0536 243 TRP F O 4986 C CB . TRP C 265 ? 0.7308 0.7581 0.5482 -0.0060 -0.0205 -0.0437 243 TRP F CB 4987 C CG . TRP C 265 ? 0.7319 0.7703 0.5561 -0.0025 -0.0172 -0.0520 243 TRP F CG 4988 C CD1 . TRP C 265 ? 0.7788 0.8085 0.5986 -0.0059 -0.0154 -0.0586 243 TRP F CD1 4989 C CD2 . TRP C 265 ? 0.7104 0.7712 0.5446 0.0021 -0.0152 -0.0550 243 TRP F CD2 4990 N NE1 . TRP C 265 ? 0.7581 0.8064 0.5859 -0.0038 -0.0133 -0.0650 243 TRP F NE1 4991 C CE2 . TRP C 265 ? 0.7589 0.8245 0.5941 0.0006 -0.0134 -0.0624 243 TRP F CE2 4992 C CE3 . TRP C 265 ? 0.7120 0.7898 0.5523 0.0044 -0.0139 -0.0527 243 TRP F CE3 4993 C CZ2 . TRP C 265 ? 0.7371 0.8222 0.5772 0.0008 -0.0118 -0.0664 243 TRP F CZ2 4994 C CZ3 . TRP C 265 ? 0.7193 0.8134 0.5632 0.0048 -0.0112 -0.0574 243 TRP F CZ3 4995 C CH2 . TRP C 265 ? 0.7283 0.8253 0.5713 0.0028 -0.0108 -0.0636 243 TRP F CH2 4996 N N . LEU C 266 ? 0.7639 0.8050 0.5909 0.0239 -0.0255 -0.0396 244 LEU F N 4997 C CA . LEU C 266 ? 0.7562 0.8201 0.5913 0.0368 -0.0250 -0.0438 244 LEU F CA 4998 C C . LEU C 266 ? 0.8372 0.8876 0.6709 0.0553 -0.0297 -0.0461 244 LEU F C 4999 O O . LEU C 266 ? 0.8275 0.8973 0.6682 0.0661 -0.0283 -0.0561 244 LEU F O 5000 C CB . LEU C 266 ? 0.7424 0.8322 0.5816 0.0336 -0.0240 -0.0373 244 LEU F CB 5001 C CG . LEU C 266 ? 0.7756 0.8866 0.6199 0.0204 -0.0171 -0.0403 244 LEU F CG 5002 C CD1 . LEU C 266 ? 0.7684 0.9047 0.6158 0.0161 -0.0148 -0.0359 244 LEU F CD1 5003 C CD2 . LEU C 266 ? 0.7934 0.9167 0.6401 0.0214 -0.0126 -0.0507 244 LEU F CD2 5004 N N . LYS C 267 ? 0.8295 0.8467 0.6533 0.0588 -0.0354 -0.0375 245 LYS F N 5005 C CA . LYS C 267 ? 0.8639 0.8593 0.6855 0.0793 -0.0407 -0.0387 245 LYS F CA 5006 C C . LYS C 267 ? 0.9422 0.9033 0.7574 0.0795 -0.0385 -0.0490 245 LYS F C 5007 O O . LYS C 267 ? 0.9601 0.9089 0.7783 0.0981 -0.0401 -0.0573 245 LYS F O 5008 C CB . LYS C 267 ? 0.9251 0.9012 0.7375 0.0849 -0.0494 -0.0213 245 LYS F CB 5009 C CG . LYS C 267 ? 1.1514 1.0864 0.9446 0.0679 -0.0522 -0.0113 245 LYS F CG 5010 C CD . LYS C 267 ? 1.3204 1.2396 1.1026 0.0704 -0.0619 0.0077 245 LYS F CD 5011 C CE . LYS C 267 ? 1.5225 1.3825 1.2806 0.0652 -0.0672 0.0151 245 LYS F CE 5012 N NZ . LYS C 267 ? 1.6850 1.5094 1.4409 0.0921 -0.0719 0.0132 245 LYS F NZ 5013 N N . GLU C 268 ? 0.8974 0.8467 0.7045 0.0590 -0.0342 -0.0499 246 GLU F N 5014 C CA . GLU C 268 ? 0.9190 0.8395 0.7175 0.0532 -0.0304 -0.0597 246 GLU F CA 5015 C C . GLU C 268 ? 0.9446 0.8913 0.7525 0.0444 -0.0231 -0.0737 246 GLU F C 5016 O O . GLU C 268 ? 0.9561 0.8857 0.7579 0.0372 -0.0187 -0.0831 246 GLU F O 5017 C CB . GLU C 268 ? 0.9605 0.8469 0.7381 0.0350 -0.0313 -0.0505 246 GLU F CB 5018 C CG . GLU C 268 ? 1.1592 0.9917 0.9187 0.0398 -0.0332 -0.0510 246 GLU F CG 5019 C CD . GLU C 268 ? 1.4774 1.2866 1.2359 0.0635 -0.0418 -0.0426 246 GLU F CD 5020 O OE1 . GLU C 268 ? 1.4318 1.2347 1.1998 0.0853 -0.0415 -0.0536 246 GLU F OE1 5021 O OE2 . GLU C 268 ? 1.4260 1.2258 1.1745 0.0605 -0.0492 -0.0254 246 GLU F OE2 5022 N N . ARG C 269 ? 0.8653 0.8523 0.6859 0.0435 -0.0217 -0.0750 247 ARG F N 5023 C CA . ARG C 269 ? 0.8401 0.8532 0.6677 0.0341 -0.0166 -0.0852 247 ARG F CA 5024 C C . ARG C 269 ? 0.9034 0.9211 0.7367 0.0416 -0.0140 -0.1023 247 ARG F C 5025 O O . ARG C 269 ? 0.8929 0.9213 0.7271 0.0290 -0.0096 -0.1109 247 ARG F O 5026 C CB . ARG C 269 ? 0.8071 0.8547 0.6427 0.0308 -0.0161 -0.0816 247 ARG F CB 5027 C CG . ARG C 269 ? 0.9159 0.9826 0.7576 0.0449 -0.0182 -0.0823 247 ARG F CG 5028 C CD . ARG C 269 ? 0.9797 1.0702 0.8236 0.0371 -0.0165 -0.0761 247 ARG F CD 5029 N NE . ARG C 269 ? 1.0470 1.1692 0.8949 0.0411 -0.0147 -0.0844 247 ARG F NE 5030 C CZ . ARG C 269 ? 1.2107 1.3521 1.0602 0.0485 -0.0152 -0.0823 247 ARG F CZ 5031 N NH1 . ARG C 269 ? 1.0563 1.1883 0.9053 0.0530 -0.0180 -0.0709 247 ARG F NH1 5032 N NH2 . ARG C 269 ? 1.0283 1.2026 0.8787 0.0488 -0.0128 -0.0919 247 ARG F NH2 5033 N N . GLY C 270 ? 0.8778 0.8913 0.7156 0.0619 -0.0171 -0.1074 248 GLY F N 5034 C CA . GLY C 270 ? 0.8882 0.9103 0.7342 0.0727 -0.0150 -0.1267 248 GLY F CA 5035 C C . GLY C 270 ? 0.9090 0.9804 0.7652 0.0694 -0.0133 -0.1370 248 GLY F C 5036 O O . GLY C 270 ? 0.8795 0.9736 0.7359 0.0648 -0.0146 -0.1280 248 GLY F O 5037 N N . ALA C 271 ? 0.8716 0.9601 0.7349 0.0692 -0.0098 -0.1572 249 ALA F N 5038 C CA . ALA C 271 ? 0.8474 0.9846 0.7172 0.0620 -0.0084 -0.1694 249 ALA F CA 5039 C C . ALA C 271 ? 0.8746 1.0254 0.7382 0.0354 -0.0061 -0.1623 249 ALA F C 5040 O O . ALA C 271 ? 0.8741 1.0078 0.7334 0.0220 -0.0035 -0.1593 249 ALA F O 5041 C CB . ALA C 271 ? 0.8706 1.0243 0.7503 0.0682 -0.0055 -0.1949 249 ALA F CB 5042 N N . SER C 272 ? 0.8098 0.9912 0.6713 0.0277 -0.0071 -0.1591 250 SER F N 5043 C CA . SER C 272 ? 0.7906 0.9824 0.6449 0.0051 -0.0064 -0.1507 250 SER F CA 5044 C C . SER C 272 ? 0.8381 1.0558 0.6930 -0.0120 -0.0045 -0.1651 250 SER F C 5045 O O . SER C 272 ? 0.8422 1.0746 0.7047 -0.0062 -0.0027 -0.1847 250 SER F O 5046 C CB . SER C 272 ? 0.8226 1.0306 0.6708 0.0020 -0.0075 -0.1428 250 SER F CB 5047 O OG . SER C 272 ? 0.9336 1.1772 0.7827 0.0047 -0.0072 -0.1580 250 SER F OG 5048 N N . LEU C 273 ? 0.7846 1.0092 0.6320 -0.0328 -0.0051 -0.1554 251 LEU F N 5049 C CA . LEU C 273 ? 0.7805 1.0326 0.6263 -0.0539 -0.0044 -0.1650 251 LEU F CA 5050 C C . LEU C 273 ? 0.8294 1.1216 0.6751 -0.0593 -0.0043 -0.1845 251 LEU F C 5051 O O . LEU C 273 ? 0.8267 1.1445 0.6763 -0.0719 -0.0025 -0.2009 251 LEU F O 5052 C CB . LEU C 273 ? 0.7748 1.0252 0.6109 -0.0727 -0.0073 -0.1465 251 LEU F CB 5053 C CG . LEU C 273 ? 0.8364 1.0656 0.6741 -0.0747 -0.0067 -0.1339 251 LEU F CG 5054 C CD1 . LEU C 273 ? 0.8344 1.0582 0.6646 -0.0831 -0.0111 -0.1126 251 LEU F CD1 5055 C CD2 . LEU C 273 ? 0.8721 1.1176 0.7138 -0.0887 -0.0031 -0.1463 251 LEU F CD2 5056 N N . GLN C 274 ? 0.7839 1.0858 0.6254 -0.0510 -0.0056 -0.1846 252 GLN F N 5057 C CA . GLN C 274 ? 0.7817 1.1273 0.6214 -0.0553 -0.0053 -0.2041 252 GLN F CA 5058 C C . GLN C 274 ? 0.8448 1.2086 0.7012 -0.0399 -0.0031 -0.2295 252 GLN F C 5059 O O . GLN C 274 ? 0.8397 1.2471 0.6977 -0.0497 -0.0023 -0.2512 252 GLN F O 5060 C CB . GLN C 274 ? 0.7941 1.1438 0.6262 -0.0465 -0.0057 -0.1979 252 GLN F CB 5061 C CG . GLN C 274 ? 0.9649 1.3642 0.7950 -0.0467 -0.0049 -0.2190 252 GLN F CG 5062 C CD . GLN C 274 ? 1.1906 1.6251 1.0043 -0.0782 -0.0053 -0.2279 252 GLN F CD 5063 O OE1 . GLN C 274 ? 1.1309 1.5551 0.9247 -0.0984 -0.0061 -0.2131 252 GLN F OE1 5064 N NE2 . GLN C 274 ? 1.0914 1.5684 0.9121 -0.0837 -0.0049 -0.2531 252 GLN F NE2 5065 N N . HIS C 275 ? 0.8165 1.1454 0.6839 -0.0171 -0.0020 -0.2271 253 HIS F N 5066 C CA . HIS C 275 ? 0.8332 1.1646 0.7160 0.0026 0.0001 -0.2488 253 HIS F CA 5067 C C . HIS C 275 ? 0.9020 1.2151 0.7902 -0.0058 0.0047 -0.2567 253 HIS F C 5068 O O . HIS C 275 ? 0.9098 1.2374 0.8099 0.0010 0.0082 -0.2816 253 HIS F O 5069 C CB . HIS C 275 ? 0.8549 1.1563 0.7430 0.0346 -0.0023 -0.2407 253 HIS F CB 5070 C CG . HIS C 275 ? 0.8852 1.2050 0.7679 0.0416 -0.0056 -0.2313 253 HIS F CG 5071 N ND1 . HIS C 275 ? 0.9073 1.2715 0.7959 0.0539 -0.0066 -0.2486 253 HIS F ND1 5072 C CD2 . HIS C 275 ? 0.8953 1.1980 0.7675 0.0367 -0.0070 -0.2083 253 HIS F CD2 5073 C CE1 . HIS C 275 ? 0.8884 1.2612 0.7682 0.0541 -0.0081 -0.2347 253 HIS F CE1 5074 N NE2 . HIS C 275 ? 0.8858 1.2209 0.7560 0.0437 -0.0081 -0.2108 253 HIS F NE2 5075 N N . THR C 276 ? 0.8623 1.1462 0.7420 -0.0202 0.0054 -0.2373 254 THR F N 5076 C CA . THR C 276 ? 0.8757 1.1432 0.7574 -0.0310 0.0109 -0.2430 254 THR F CA 5077 C C . THR C 276 ? 0.9238 1.2238 0.8021 -0.0638 0.0131 -0.2464 254 THR F C 5078 O O . THR C 276 ? 0.9295 1.2321 0.8126 -0.0743 0.0195 -0.2606 254 THR F O 5079 C CB . THR C 276 ? 0.9842 1.2005 0.8591 -0.0241 0.0112 -0.2228 254 THR F CB 5080 O OG1 . THR C 276 ? 0.9577 1.1719 0.8229 -0.0353 0.0071 -0.1985 254 THR F OG1 5081 C CG2 . THR C 276 ? 0.9870 1.1679 0.8643 0.0059 0.0091 -0.2207 254 THR F CG2 5082 N N . ALA C 277 ? 1.4790 1.0378 0.5705 -0.3837 -0.0536 -0.0055 255 ALA F N 5083 C CA . ALA C 277 ? 1.4204 1.0452 0.5738 -0.3732 -0.0405 -0.0038 255 ALA F CA 5084 C C . ALA C 277 ? 1.4767 1.0775 0.6294 -0.3449 -0.0559 -0.0054 255 ALA F C 5085 O O . ALA C 277 ? 1.4750 1.0442 0.6219 -0.3135 -0.0689 -0.0124 255 ALA F O 5086 C CB . ALA C 277 ? 1.3550 1.0544 0.5857 -0.3532 -0.0190 -0.0078 255 ALA F CB 5087 N N . PRO C 278 ? 1.4333 1.0535 0.5943 -0.3543 -0.0545 -0.0003 256 PRO F N 5088 C CA . PRO C 278 ? 1.4312 1.0326 0.5932 -0.3265 -0.0687 -0.0017 256 PRO F CA 5089 C C . PRO C 278 ? 1.4199 1.0744 0.6536 -0.2888 -0.0567 -0.0075 256 PRO F C 5090 O O . PRO C 278 ? 1.3699 1.0729 0.6508 -0.2851 -0.0384 -0.0095 256 PRO F O 5091 C CB . PRO C 278 ? 1.4624 1.0751 0.6162 -0.3511 -0.0676 0.0060 256 PRO F CB 5092 C CG . PRO C 278 ? 1.5382 1.1666 0.6744 -0.3955 -0.0561 0.0104 256 PRO F CG 5093 C CD . PRO C 278 ? 1.4481 1.1110 0.6181 -0.3896 -0.0404 0.0055 256 PRO F CD 5094 N N . PHE C 279 ? 1.3793 1.0226 0.6169 -0.2618 -0.0683 -0.0104 257 PHE F N 5095 C CA . PHE C 279 ? 1.3230 1.0110 0.6199 -0.2287 -0.0592 -0.0157 257 PHE F CA 5096 C C . PHE C 279 ? 1.3596 1.0566 0.6791 -0.2068 -0.0558 -0.0246 257 PHE F C 5097 O O . PHE C 279 ? 1.3032 1.0466 0.6763 -0.1882 -0.0429 -0.0277 257 PHE F O 5098 C CB . PHE C 279 ? 1.2922 1.0446 0.6454 -0.2342 -0.0379 -0.0109 257 PHE F CB 5099 C CG . PHE C 279 ? 1.3283 1.0785 0.6655 -0.2540 -0.0402 -0.0039 257 PHE F CG 5100 C CD1 . PHE C 279 ? 1.3726 1.1439 0.7070 -0.2867 -0.0297 0.0005 257 PHE F CD1 5101 C CD2 . PHE C 279 ? 1.3652 1.0967 0.6916 -0.2396 -0.0528 -0.0029 257 PHE F CD2 5102 C CE1 . PHE C 279 ? 1.3989 1.1720 0.7200 -0.3060 -0.0316 0.0057 257 PHE F CE1 5103 C CE2 . PHE C 279 ? 1.4160 1.1444 0.7280 -0.2575 -0.0555 0.0037 257 PHE F CE2 5104 C CZ . PHE C 279 ? 1.3970 1.1461 0.7066 -0.2913 -0.0448 0.0079 257 PHE F CZ 5105 N N . GLY C 280 ? 1.3663 1.0150 0.6405 -0.2099 -0.0687 -0.0289 258 GLY F N 5106 C CA . GLY C 280 ? 1.3571 1.0054 0.6437 -0.1901 -0.0688 -0.0385 258 GLY F CA 5107 C C . GLY C 280 ? 1.3669 1.0670 0.7055 -0.1946 -0.0458 -0.0362 258 GLY F C 5108 O O . GLY C 280 ? 1.3299 1.0522 0.7027 -0.1726 -0.0410 -0.0433 258 GLY F O 5109 N N . CYS C 281 ? 1.3268 1.0476 0.6696 -0.2232 -0.0326 -0.0276 259 CYS F N 5110 C CA . CYS C 281 ? 1.2857 1.0563 0.6727 -0.2279 -0.0130 -0.0261 259 CYS F CA 5111 C C . CYS C 281 ? 1.3356 1.0867 0.7131 -0.2220 -0.0150 -0.0311 259 CYS F C 5112 O O . CYS C 281 ? 1.3810 1.0792 0.7048 -0.2332 -0.0276 -0.0322 259 CYS F O 5113 C CB . CYS C 281 ? 1.2948 1.0926 0.6812 -0.2592 -0.0017 -0.0192 259 CYS F CB 5114 S SG . CYS C 281 ? 1.3214 1.1572 0.7341 -0.2629 0.0046 -0.0150 259 CYS F SG 5115 N N . GLN C 282 ? 1.2407 1.0306 0.6665 -0.2051 -0.0036 -0.0340 260 GLN F N 5116 C CA . GLN C 282 ? 1.2372 1.0174 0.6636 -0.1977 -0.0033 -0.0384 260 GLN F CA 5117 C C . GLN C 282 ? 1.2588 1.0801 0.7080 -0.2144 0.0126 -0.0332 260 GLN F C 5118 O O . GLN C 282 ? 1.2127 1.0838 0.7035 -0.2119 0.0242 -0.0309 260 GLN F O 5119 C CB . GLN C 282 ? 1.2202 1.0170 0.6840 -0.1675 -0.0028 -0.0458 260 GLN F CB 5120 C CG . GLN C 282 ? 1.4186 1.1930 0.8700 -0.1476 -0.0169 -0.0541 260 GLN F CG 5121 C CD . GLN C 282 ? 1.7126 1.4242 1.1072 -0.1429 -0.0372 -0.0625 260 GLN F CD 5122 O OE1 . GLN C 282 ? 1.6686 1.3595 1.0532 -0.1341 -0.0418 -0.0694 260 GLN F OE1 5123 N NE2 . GLN C 282 ? 1.6473 1.3234 1.0002 -0.1468 -0.0518 -0.0627 260 GLN F NE2 5124 N N . ILE C 283 ? 1.2416 1.0415 0.6596 -0.2316 0.0118 -0.0324 261 ILE F N 5125 C CA . ILE C 283 ? 1.2203 1.0632 0.6561 -0.2480 0.0258 -0.0295 261 ILE F CA 5126 C C . ILE C 283 ? 1.2487 1.0988 0.7037 -0.2330 0.0293 -0.0328 261 ILE F C 5127 O O . ILE C 283 ? 1.2733 1.0772 0.6978 -0.2292 0.0204 -0.0358 261 ILE F O 5128 C CB . ILE C 283 ? 1.3042 1.1333 0.6939 -0.2855 0.0260 -0.0255 261 ILE F CB 5129 C CG1 . ILE C 283 ? 1.3295 1.1480 0.6983 -0.3006 0.0208 -0.0217 261 ILE F CG1 5130 C CG2 . ILE C 283 ? 1.2948 1.1797 0.7050 -0.3024 0.0410 -0.0254 261 ILE F CG2 5131 C CD1 . ILE C 283 ? 1.3776 1.2568 0.7944 -0.2963 0.0315 -0.0208 261 ILE F CD1 5132 N N . ALA C 284 ? 1.1575 1.0624 0.6601 -0.2230 0.0403 -0.0329 262 ALA F N 5133 C CA . ALA C 284 ? 1.1334 1.0521 0.6588 -0.2076 0.0435 -0.0352 262 ALA F CA 5134 C C . ALA C 284 ? 1.1712 1.1368 0.7078 -0.2211 0.0536 -0.0349 262 ALA F C 5135 O O . ALA C 284 ? 1.1623 1.1620 0.7019 -0.2373 0.0594 -0.0345 262 ALA F O 5136 C CB . ALA C 284 ? 1.1025 1.0408 0.6704 -0.1806 0.0441 -0.0368 262 ALA F CB 5137 N N . THR C 285 ? 1.1231 1.0929 0.6655 -0.2132 0.0548 -0.0367 263 THR F N 5138 C CA . THR C 285 ? 1.1113 1.1288 0.6642 -0.2218 0.0628 -0.0388 263 THR F CA 5139 C C . THR C 285 ? 1.1216 1.1708 0.7146 -0.1939 0.0631 -0.0413 263 THR F C 5140 O O . THR C 285 ? 1.1005 1.1287 0.7095 -0.1718 0.0577 -0.0404 263 THR F O 5141 C CB . THR C 285 ? 1.2528 1.2460 0.7659 -0.2429 0.0633 -0.0385 263 THR F CB 5142 O OG1 . THR C 285 ? 1.2601 1.2020 0.7611 -0.2265 0.0554 -0.0385 263 THR F OG1 5143 C CG2 . THR C 285 ? 1.2794 1.2481 0.7467 -0.2774 0.0631 -0.0358 263 THR F CG2 5144 N N . ASN C 286 ? 1.0659 1.1668 0.6724 -0.1958 0.0682 -0.0456 264 ASN F N 5145 C CA . ASN C 286 ? 1.0340 1.1677 0.6715 -0.1702 0.0658 -0.0493 264 ASN F CA 5146 C C . ASN C 286 ? 1.0546 1.1932 0.7199 -0.1480 0.0611 -0.0489 264 ASN F C 5147 O O . ASN C 286 ? 1.0376 1.1523 0.7141 -0.1281 0.0552 -0.0464 264 ASN F O 5148 C CB . ASN C 286 ? 1.0518 1.1594 0.6841 -0.1583 0.0620 -0.0481 264 ASN F CB 5149 C CG . ASN C 286 ? 1.3390 1.4844 0.9939 -0.1372 0.0590 -0.0526 264 ASN F CG 5150 O OD1 . ASN C 286 ? 1.2661 1.4639 0.9256 -0.1418 0.0623 -0.0594 264 ASN F OD1 5151 N ND2 . ASN C 286 ? 1.2304 1.3509 0.8978 -0.1132 0.0515 -0.0502 264 ASN F ND2 5152 N N . PRO C 287 ? 1.0028 1.1706 0.6773 -0.1519 0.0632 -0.0517 265 PRO F N 5153 C CA . PRO C 287 ? 1.0102 1.2120 0.6752 -0.1751 0.0699 -0.0559 265 PRO F CA 5154 C C . PRO C 287 ? 1.0814 1.2476 0.7229 -0.1974 0.0723 -0.0499 265 PRO F C 5155 O O . PRO C 287 ? 1.0795 1.2018 0.7178 -0.1894 0.0679 -0.0444 265 PRO F O 5156 C CB . PRO C 287 ? 1.0107 1.2524 0.6989 -0.1599 0.0674 -0.0628 265 PRO F CB 5157 C CG . PRO C 287 ? 1.0547 1.2605 0.7543 -0.1393 0.0609 -0.0570 265 PRO F CG 5158 C CD . PRO C 287 ? 1.0029 1.1696 0.6974 -0.1326 0.0581 -0.0511 265 PRO F CD 5159 N N . VAL C 288 ? 1.0551 1.2413 0.6780 -0.2254 0.0781 -0.0520 266 VAL F N 5160 C CA . VAL C 288 ? 1.0794 1.2280 0.6735 -0.2475 0.0777 -0.0462 266 VAL F CA 5161 C C . VAL C 288 ? 1.1100 1.2583 0.7199 -0.2377 0.0757 -0.0450 266 VAL F C 5162 O O . VAL C 288 ? 1.0813 1.2751 0.7150 -0.2305 0.0782 -0.0510 266 VAL F O 5163 C CB . VAL C 288 ? 1.1653 1.3219 0.7251 -0.2854 0.0830 -0.0467 266 VAL F CB 5164 C CG1 . VAL C 288 ? 1.1825 1.3333 0.7230 -0.2951 0.0850 -0.0473 266 VAL F CG1 5165 C CG2 . VAL C 288 ? 1.1519 1.3754 0.7269 -0.2985 0.0901 -0.0548 266 VAL F CG2 5166 N N . ARG C 289 ? 1.0782 1.1753 0.6747 -0.2338 0.0698 -0.0388 267 ARG F N 5167 C CA . ARG C 289 ? 1.0624 1.1543 0.6721 -0.2232 0.0675 -0.0370 267 ARG F CA 5168 C C . ARG C 289 ? 1.1374 1.1780 0.7179 -0.2305 0.0607 -0.0320 267 ARG F C 5169 O O . ARG C 289 ? 1.1578 1.1560 0.7111 -0.2334 0.0548 -0.0304 267 ARG F O 5170 C CB . ARG C 289 ? 1.0367 1.1338 0.6782 -0.1940 0.0655 -0.0380 267 ARG F CB 5171 C CG . ARG C 289 ? 1.1791 1.2409 0.8181 -0.1805 0.0608 -0.0360 267 ARG F CG 5172 C CD . ARG C 289 ? 1.2970 1.3761 0.9643 -0.1586 0.0601 -0.0378 267 ARG F CD 5173 N NE . ARG C 289 ? 1.4262 1.4733 1.0938 -0.1459 0.0556 -0.0366 267 ARG F NE 5174 C CZ . ARG C 289 ? 1.6257 1.6619 1.2875 -0.1427 0.0539 -0.0375 267 ARG F CZ 5175 N NH1 . ARG C 289 ? 1.4743 1.5301 1.1288 -0.1523 0.0570 -0.0390 267 ARG F NH1 5176 N NH2 . ARG C 289 ? 1.4681 1.4768 1.1318 -0.1299 0.0493 -0.0381 267 ARG F NH2 5177 N N . ALA C 290 ? 1.0889 1.1320 0.6731 -0.2310 0.0598 -0.0306 268 ALA F N 5178 C CA . ALA C 290 ? 1.1098 1.1085 0.6680 -0.2334 0.0513 -0.0269 268 ALA F CA 5179 C C . ALA C 290 ? 1.1362 1.1278 0.7180 -0.2068 0.0484 -0.0275 268 ALA F C 5180 O O . ALA C 290 ? 1.1021 1.1233 0.7132 -0.1964 0.0531 -0.0282 268 ALA F O 5181 C CB . ALA C 290 ? 1.1298 1.1388 0.6772 -0.2514 0.0520 -0.0251 268 ALA F CB 5182 N N . VAL C 291 ? 1.1083 1.0622 0.6758 -0.1959 0.0403 -0.0288 269 VAL F N 5183 C CA . VAL C 291 ? 1.0878 1.0391 0.6760 -0.1730 0.0378 -0.0314 269 VAL F CA 5184 C C . VAL C 291 ? 1.1617 1.0820 0.7271 -0.1687 0.0273 -0.0328 269 VAL F C 5185 O O . VAL C 291 ? 1.1941 1.0747 0.7195 -0.1758 0.0168 -0.0339 269 VAL F O 5186 C CB . VAL C 291 ? 1.1293 1.0739 0.7274 -0.1590 0.0367 -0.0354 269 VAL F CB 5187 C CG1 . VAL C 291 ? 1.1019 1.0592 0.7284 -0.1399 0.0376 -0.0383 269 VAL F CG1 5188 C CG2 . VAL C 291 ? 1.1144 1.0825 0.7255 -0.1637 0.0439 -0.0341 269 VAL F CG2 5189 N N . ASN C 292 ? 1.1002 1.0366 0.6872 -0.1566 0.0289 -0.0332 270 ASN F N 5190 C CA . ASN C 292 ? 1.1128 1.0300 0.6855 -0.1475 0.0193 -0.0360 270 ASN F CA 5191 C C . ASN C 292 ? 1.1988 1.0885 0.7343 -0.1610 0.0104 -0.0325 270 ASN F C 5192 O O . ASN C 292 ? 1.2252 1.0776 0.7271 -0.1550 -0.0045 -0.0366 270 ASN F O 5193 C CB . ASN C 292 ? 1.1299 1.0281 0.6954 -0.1295 0.0100 -0.0454 270 ASN F CB 5194 C CG . ASN C 292 ? 1.3694 1.2932 0.9690 -0.1187 0.0179 -0.0490 270 ASN F CG 5195 O OD1 . ASN C 292 ? 1.2584 1.2140 0.8890 -0.1198 0.0290 -0.0447 270 ASN F OD1 5196 N ND2 . ASN C 292 ? 1.2787 1.1857 0.8696 -0.1077 0.0107 -0.0576 270 ASN F ND2 5197 N N . CYS C 293 ? 1.1534 1.0615 0.6931 -0.1782 0.0178 -0.0262 271 CYS F N 5198 C CA . CYS C 293 ? 1.1831 1.0694 0.6896 -0.1945 0.0104 -0.0220 271 CYS F CA 5199 C C . CYS C 293 ? 1.2380 1.1263 0.7524 -0.1810 0.0064 -0.0218 271 CYS F C 5200 O O . CYS C 293 ? 1.2004 1.1235 0.7483 -0.1769 0.0168 -0.0203 271 CYS F O 5201 C CB . CYS C 293 ? 1.1797 1.0934 0.6910 -0.2181 0.0206 -0.0180 271 CYS F CB 5202 S SG . CYS C 293 ? 1.2456 1.1559 0.7384 -0.2384 0.0241 -0.0185 271 CYS F SG 5203 N N . ALA C 294 ? 1.2372 1.0869 0.7190 -0.1718 -0.0100 -0.0245 272 ALA F N 5204 C CA . ALA C 294 ? 1.2364 1.0865 0.7220 -0.1565 -0.0160 -0.0254 272 ALA F CA 5205 C C . ALA C 294 ? 1.3115 1.1568 0.7835 -0.1712 -0.0179 -0.0181 272 ALA F C 5206 O O . ALA C 294 ? 1.3459 1.1515 0.7763 -0.1735 -0.0345 -0.0169 272 ALA F O 5207 C CB . ALA C 294 ? 1.2762 1.0904 0.7306 -0.1375 -0.0352 -0.0340 272 ALA F CB 5208 N N . VAL C 295 ? 1.2477 1.1322 0.7526 -0.1800 -0.0023 -0.0142 273 VAL F N 5209 C CA . VAL C 295 ? 1.2563 1.1456 0.7558 -0.1938 -0.0018 -0.0091 273 VAL F CA 5210 C C . VAL C 295 ? 1.2796 1.2069 0.8202 -0.1823 0.0098 -0.0093 273 VAL F C 5211 O O . VAL C 295 ? 1.2438 1.2038 0.8171 -0.1782 0.0224 -0.0120 273 VAL F O 5212 C CB . VAL C 295 ? 1.3262 1.2167 0.8064 -0.2245 0.0013 -0.0061 273 VAL F CB 5213 C CG1 . VAL C 295 ? 1.2931 1.2268 0.8062 -0.2297 0.0174 -0.0094 273 VAL F CG1 5214 C CG2 . VAL C 295 ? 1.3364 1.2291 0.8054 -0.2406 -0.0006 -0.0020 273 VAL F CG2 5215 N N . GLY C 296 ? 1.2525 1.1698 0.7864 -0.1763 0.0033 -0.0069 274 GLY F N 5216 C CA . GLY C 296 ? 1.2261 1.1697 0.7904 -0.1652 0.0116 -0.0071 274 GLY F CA 5217 C C . GLY C 296 ? 1.2627 1.2192 0.8519 -0.1439 0.0166 -0.0104 274 GLY F C 5218 O O . GLY C 296 ? 1.2631 1.2075 0.8447 -0.1339 0.0109 -0.0134 274 GLY F O 5219 N N . ASN C 297 ? 1.2055 1.1861 0.8215 -0.1376 0.0266 -0.0110 275 ASN F N 5220 C CA . ASN C 297 ? 1.1890 1.1823 0.8258 -0.1225 0.0328 -0.0134 275 ASN F CA 5221 C C . ASN C 297 ? 1.2312 1.2473 0.8906 -0.1242 0.0442 -0.0157 275 ASN F C 5222 O O . ASN C 297 ? 1.2229 1.2502 0.8849 -0.1338 0.0471 -0.0169 275 ASN F O 5223 C CB . ASN C 297 ? 1.1977 1.1874 0.8353 -0.1111 0.0306 -0.0119 275 ASN F CB 5224 C CG . ASN C 297 ? 1.4979 1.4901 1.1374 -0.1156 0.0320 -0.0101 275 ASN F CG 5225 O OD1 . ASN C 297 ? 1.4466 1.4238 1.0688 -0.1198 0.0235 -0.0071 275 ASN F OD1 5226 N ND2 . ASN C 297 ? 1.3812 1.3905 1.0388 -0.1139 0.0411 -0.0127 275 ASN F ND2 5227 N N . MET C 298 ? 1.1887 1.2122 0.8613 -0.1154 0.0494 -0.0172 276 MET F N 5228 C CA . MET C 298 ? 1.1808 1.2173 0.8673 -0.1157 0.0568 -0.0192 276 MET F CA 5229 C C . MET C 298 ? 1.2387 1.2750 0.9303 -0.1086 0.0608 -0.0193 276 MET F C 5230 O O . MET C 298 ? 1.2332 1.2694 0.9260 -0.1054 0.0624 -0.0190 276 MET F O 5231 C CB . MET C 298 ? 1.2080 1.2481 0.8987 -0.1177 0.0582 -0.0206 276 MET F CB 5232 C CG . MET C 298 ? 1.2475 1.2971 0.9475 -0.1184 0.0626 -0.0225 276 MET F CG 5233 S SD . MET C 298 ? 1.2981 1.3496 1.0038 -0.1191 0.0638 -0.0235 276 MET F SD 5234 C CE . MET C 298 ? 1.2605 1.3118 0.9597 -0.1261 0.0605 -0.0241 276 MET F CE 5235 N N . PRO C 299 ? 1.2057 1.2425 0.8980 -0.1065 0.0620 -0.0211 277 PRO F N 5236 C CA . PRO C 299 ? 1.2124 1.2407 0.9020 -0.1010 0.0645 -0.0213 277 PRO F CA 5237 C C . PRO C 299 ? 1.2798 1.3065 0.9689 -0.1034 0.0671 -0.0222 277 PRO F C 5238 O O . PRO C 299 ? 1.2721 1.3044 0.9637 -0.1049 0.0657 -0.0248 277 PRO F O 5239 C CB . PRO C 299 ? 1.2367 1.2628 0.9233 -0.0961 0.0621 -0.0255 277 PRO F CB 5240 C CG . PRO C 299 ? 1.2866 1.3263 0.9768 -0.1015 0.0595 -0.0272 277 PRO F CG 5241 C CD . PRO C 299 ? 1.2257 1.2716 0.9187 -0.1091 0.0603 -0.0250 277 PRO F CD 5242 N N . ILE C 300 ? 1.2561 1.2763 0.9405 -0.1051 0.0705 -0.0202 278 ILE F N 5243 C CA . ILE C 300 ? 1.2690 1.2839 0.9480 -0.1111 0.0724 -0.0201 278 ILE F CA 5244 C C . ILE C 300 ? 1.3558 1.3498 1.0162 -0.1127 0.0729 -0.0195 278 ILE F C 5245 O O . ILE C 300 ? 1.3541 1.3468 1.0111 -0.1134 0.0763 -0.0178 278 ILE F O 5246 C CB . ILE C 300 ? 1.3016 1.3318 0.9900 -0.1173 0.0762 -0.0193 278 ILE F CB 5247 C CG1 . ILE C 300 ? 1.2953 1.3354 0.9942 -0.1160 0.0735 -0.0207 278 ILE F CG1 5248 C CG2 . ILE C 300 ? 1.3232 1.3485 1.0034 -0.1274 0.0793 -0.0185 278 ILE F CG2 5249 C CD1 . ILE C 300 ? 1.3811 1.4346 1.0879 -0.1162 0.0740 -0.0227 278 ILE F CD1 5250 N N . SER C 301 ? 1.3436 1.3184 0.9880 -0.1124 0.0678 -0.0217 279 SER F N 5251 C CA . SER C 301 ? 1.3776 1.3214 0.9940 -0.1144 0.0649 -0.0220 279 SER F CA 5252 C C . SER C 301 ? 1.4638 1.3946 1.0643 -0.1280 0.0647 -0.0192 279 SER F C 5253 O O . SER C 301 ? 1.4574 1.3884 1.0588 -0.1269 0.0597 -0.0206 279 SER F O 5254 C CB . SER C 301 ? 1.4353 1.3608 1.0374 -0.1006 0.0547 -0.0294 279 SER F CB 5255 O OG . SER C 301 ? 1.5821 1.4686 1.1494 -0.1008 0.0488 -0.0309 279 SER F OG 5256 N N . ILE C 302 ? 1.4536 1.3752 1.0393 -0.1421 0.0702 -0.0154 280 ILE F N 5257 C CA . ILE C 302 ? 1.4827 1.3918 1.0493 -0.1604 0.0707 -0.0123 280 ILE F CA 5258 C C . ILE C 302 ? 1.5955 1.4601 1.1180 -0.1699 0.0663 -0.0109 280 ILE F C 5259 O O . ILE C 302 ? 1.5969 1.4606 1.1127 -0.1757 0.0728 -0.0094 280 ILE F O 5260 C CB . ILE C 302 ? 1.5057 1.4525 1.0940 -0.1747 0.0822 -0.0106 280 ILE F CB 5261 C CG1 . ILE C 302 ? 1.4719 1.4564 1.0981 -0.1623 0.0849 -0.0134 280 ILE F CG1 5262 C CG2 . ILE C 302 ? 1.5365 1.4749 1.1092 -0.1938 0.0815 -0.0084 280 ILE F CG2 5263 C CD1 . ILE C 302 ? 1.5507 1.5726 1.1964 -0.1663 0.0936 -0.0158 280 ILE F CD1 5264 N N . ASP C 303 ? 1.6019 1.4266 1.0905 -0.1709 0.0537 -0.0118 281 ASP F N 5265 C CA . ASP C 303 ? 1.6615 1.4317 1.0968 -0.1806 0.0455 -0.0110 281 ASP F CA 5266 C C . ASP C 303 ? 1.7570 1.5190 1.1706 -0.2113 0.0500 -0.0043 281 ASP F C 5267 O O . ASP C 303 ? 1.7680 1.5138 1.1664 -0.2175 0.0415 -0.0031 281 ASP F O 5268 C CB . ASP C 303 ? 1.7138 1.4403 1.1168 -0.1619 0.0252 -0.0180 281 ASP F CB 5269 C CG . ASP C 303 ? 1.8957 1.5611 1.2426 -0.1614 0.0135 -0.0210 281 ASP F CG 5270 O OD1 . ASP C 303 ? 1.9493 1.5760 1.2525 -0.1852 0.0114 -0.0152 281 ASP F OD1 5271 O OD2 . ASP C 303 ? 1.9707 1.6253 1.3144 -0.1379 0.0054 -0.0299 281 ASP F OD2 5272 N N . ILE C 304 ? 1.4053 1.3771 1.3499 -0.0321 0.0026 -0.0116 282 ILE F N 5273 C CA . ILE C 304 ? 1.4097 1.3802 1.3542 -0.0308 0.0013 -0.0103 282 ILE F CA 5274 C C . ILE C 304 ? 1.4740 1.4469 1.4228 -0.0285 0.0015 -0.0106 282 ILE F C 5275 O O . ILE C 304 ? 1.4661 1.4408 1.4177 -0.0270 0.0012 -0.0106 282 ILE F O 5276 C CB . ILE C 304 ? 1.4489 1.4176 1.3918 -0.0300 -0.0009 -0.0085 282 ILE F CB 5277 C CG1 . ILE C 304 ? 1.4581 1.4239 1.3966 -0.0324 -0.0017 -0.0082 282 ILE F CG1 5278 C CG2 . ILE C 304 ? 1.4576 1.4251 1.4005 -0.0289 -0.0021 -0.0074 282 ILE F CG2 5279 C CD1 . ILE C 304 ? 1.5510 1.5165 1.4893 -0.0316 -0.0032 -0.0073 282 ILE F CD1 5280 N N . PRO C 305 ? 1.4452 1.4178 1.3943 -0.0283 0.0019 -0.0108 283 PRO F N 5281 C CA . PRO C 305 ? 1.4459 1.4203 1.3987 -0.0263 0.0018 -0.0111 283 PRO F CA 5282 C C . PRO C 305 ? 1.5073 1.4816 1.4608 -0.0244 0.0001 -0.0096 283 PRO F C 5283 O O . PRO C 305 ? 1.5018 1.4748 1.4532 -0.0245 -0.0009 -0.0083 283 PRO F O 5284 C CB . PRO C 305 ? 1.4687 1.4422 1.4206 -0.0269 0.0025 -0.0116 283 PRO F CB 5285 C CG . PRO C 305 ? 1.5258 1.4965 1.4733 -0.0287 0.0022 -0.0106 283 PRO F CG 5286 C CD . PRO C 305 ? 1.4694 1.4396 1.4151 -0.0301 0.0023 -0.0108 283 PRO F CD 5287 N N . GLU C 306 ? 1.4740 1.4496 1.4304 -0.0230 -0.0004 -0.0098 284 GLU F N 5288 C CA . GLU C 306 ? 1.4761 1.4516 1.4330 -0.0217 -0.0018 -0.0087 284 GLU F CA 5289 C C . GLU C 306 ? 1.5393 1.5136 1.4943 -0.0216 -0.0024 -0.0076 284 GLU F C 5290 O O . GLU C 306 ? 1.5333 1.5072 1.4876 -0.0213 -0.0032 -0.0068 284 GLU F O 5291 C CB . GLU C 306 ? 1.4929 1.4692 1.4527 -0.0207 -0.0025 -0.0092 284 GLU F CB 5292 C CG . GLU C 306 ? 1.6228 1.5986 1.5827 -0.0201 -0.0040 -0.0083 284 GLU F CG 5293 C CD . GLU C 306 ? 1.8722 1.8470 1.8311 -0.0197 -0.0050 -0.0076 284 GLU F CD 5294 O OE1 . GLU C 306 ? 1.7904 1.7647 1.7473 -0.0200 -0.0048 -0.0069 284 GLU F OE1 5295 O OE2 . GLU C 306 ? 1.7965 1.7708 1.7568 -0.0193 -0.0063 -0.0078 284 GLU F OE2 5296 N N . ALA C 307 ? 1.5078 1.4814 1.4620 -0.0219 -0.0020 -0.0079 285 ALA F N 5297 C CA . ALA C 307 ? 1.5114 1.4838 1.4638 -0.0219 -0.0025 -0.0070 285 ALA F CA 5298 C C . ALA C 307 ? 1.5743 1.5455 1.5249 -0.0224 -0.0030 -0.0062 285 ALA F C 5299 O O . ALA C 307 ? 1.5679 1.5387 1.5182 -0.0220 -0.0038 -0.0055 285 ALA F O 5300 C CB . ALA C 307 ? 1.5218 1.4936 1.4736 -0.0223 -0.0019 -0.0074 285 ALA F CB 5301 N N . ALA C 308 ? 1.5438 1.5144 1.4934 -0.0234 -0.0028 -0.0063 286 ALA F N 5302 C CA . ALA C 308 ? 1.5485 1.5174 1.4963 -0.0240 -0.0038 -0.0057 286 ALA F CA 5303 C C . ALA C 308 ? 1.6103 1.5801 1.5596 -0.0230 -0.0046 -0.0053 286 ALA F C 5304 O O . ALA C 308 ? 1.6046 1.5733 1.5537 -0.0229 -0.0058 -0.0049 286 ALA F O 5305 C CB . ALA C 308 ? 1.5602 1.5278 1.5059 -0.0257 -0.0034 -0.0060 286 ALA F CB 5306 N N . PHE C 309 ? 1.5778 1.5492 1.5287 -0.0223 -0.0042 -0.0057 287 PHE F N 5307 C CA . PHE C 309 ? 1.5803 1.5524 1.5322 -0.0216 -0.0047 -0.0055 287 PHE F CA 5308 C C . PHE C 309 ? 1.6422 1.6150 1.5951 -0.0210 -0.0048 -0.0055 287 PHE F C 5309 O O . PHE C 309 ? 1.6363 1.6093 1.5893 -0.0209 -0.0046 -0.0055 287 PHE F O 5310 C CB . PHE C 309 ? 1.6027 1.5758 1.5554 -0.0216 -0.0042 -0.0057 287 PHE F CB 5311 C CG . PHE C 309 ? 1.6237 1.5963 1.5752 -0.0224 -0.0040 -0.0059 287 PHE F CG 5312 C CD1 . PHE C 309 ? 1.6636 1.6353 1.6142 -0.0227 -0.0048 -0.0056 287 PHE F CD1 5313 C CD2 . PHE C 309 ? 1.6517 1.6247 1.6032 -0.0231 -0.0031 -0.0065 287 PHE F CD2 5314 C CE1 . PHE C 309 ? 1.6768 1.6477 1.6257 -0.0238 -0.0047 -0.0057 287 PHE F CE1 5315 C CE2 . PHE C 309 ? 1.6890 1.6616 1.6391 -0.0244 -0.0027 -0.0069 287 PHE F CE2 5316 C CZ . PHE C 309 ? 1.6657 1.6370 1.6141 -0.0248 -0.0036 -0.0063 287 PHE F CZ 5317 N N . THR C 310 ? 1.6097 1.5828 1.5633 -0.0208 -0.0052 -0.0056 288 THR F N 5318 C CA . THR C 310 ? 1.6122 1.5860 1.5665 -0.0207 -0.0051 -0.0059 288 THR F CA 5319 C C . THR C 310 ? 1.6730 1.6473 1.6277 -0.0209 -0.0048 -0.0062 288 THR F C 5320 O O . THR C 310 ? 1.6671 1.6415 1.6223 -0.0208 -0.0049 -0.0064 288 THR F O 5321 C CB . THR C 310 ? 1.7162 1.6899 1.6715 -0.0206 -0.0056 -0.0062 288 THR F CB 5322 O OG1 . THR C 310 ? 1.7117 1.6849 1.6678 -0.0204 -0.0063 -0.0064 288 THR F OG1 5323 C CG2 . THR C 310 ? 1.6995 1.6723 1.6538 -0.0206 -0.0059 -0.0058 288 THR F CG2 5324 N N . ARG C 311 ? 1.6396 1.6140 1.5937 -0.0213 -0.0046 -0.0062 289 ARG F N 5325 C CA . ARG C 311 ? 1.6425 1.6169 1.5962 -0.0221 -0.0043 -0.0065 289 ARG F CA 5326 C C . ARG C 311 ? 1.7030 1.6781 1.6576 -0.0225 -0.0037 -0.0075 289 ARG F C 5327 O O . ARG C 311 ? 1.6971 1.6728 1.6526 -0.0224 -0.0037 -0.0080 289 ARG F O 5328 C CB . ARG C 311 ? 1.6485 1.6219 1.6006 -0.0229 -0.0047 -0.0062 289 ARG F CB 5329 C CG . ARG C 311 ? 1.7846 1.7573 1.7368 -0.0225 -0.0055 -0.0056 289 ARG F CG 5330 C CD . ARG C 311 ? 1.9169 1.8880 1.8676 -0.0233 -0.0066 -0.0054 289 ARG F CD 5331 N NE . ARG C 311 ? 2.0310 2.0014 1.9826 -0.0229 -0.0077 -0.0050 289 ARG F NE 5332 C CZ . ARG C 311 ? 2.2124 2.1830 2.1654 -0.0220 -0.0082 -0.0051 289 ARG F CZ 5333 N NH1 . ARG C 311 ? 2.0521 2.0232 2.0050 -0.0216 -0.0078 -0.0053 289 ARG F NH1 5334 N NH2 . ARG C 311 ? 2.0462 2.0165 2.0009 -0.0216 -0.0092 -0.0052 289 ARG F NH2 5335 N N . VAL C 312 ? 1.6696 1.6446 1.6241 -0.0231 -0.0033 -0.0078 290 VAL F N 5336 C CA . VAL C 312 ? 1.6722 1.6480 1.6280 -0.0236 -0.0025 -0.0092 290 VAL F CA 5337 C C . VAL C 312 ? 1.7332 1.7096 1.6888 -0.0248 -0.0017 -0.0104 290 VAL F C 5338 O O . VAL C 312 ? 1.7269 1.7047 1.6849 -0.0248 -0.0011 -0.0119 290 VAL F O 5339 C CB . VAL C 312 ? 1.7224 1.6978 1.6777 -0.0242 -0.0021 -0.0094 290 VAL F CB 5340 C CG1 . VAL C 312 ? 1.7190 1.6942 1.6750 -0.0230 -0.0028 -0.0087 290 VAL F CG1 5341 C CG2 . VAL C 312 ? 1.7214 1.6953 1.6739 -0.0256 -0.0021 -0.0086 290 VAL F CG2 5342 N N . VAL C 313 ? 1.7003 1.6756 1.6533 -0.0260 -0.0019 -0.0098 291 VAL F N 5343 C CA . VAL C 313 ? 1.7037 1.6792 1.6555 -0.0276 -0.0012 -0.0107 291 VAL F CA 5344 C C . VAL C 313 ? 1.7622 1.7387 1.7155 -0.0265 -0.0015 -0.0108 291 VAL F C 5345 O O . VAL C 313 ? 1.7564 1.7342 1.7109 -0.0272 -0.0007 -0.0122 291 VAL F O 5346 C CB . VAL C 313 ? 1.7555 1.7286 1.7034 -0.0293 -0.0019 -0.0099 291 VAL F CB 5347 C CG1 . VAL C 313 ? 1.7553 1.7282 1.7011 -0.0316 -0.0012 -0.0110 291 VAL F CG1 5348 C CG2 . VAL C 313 ? 1.7544 1.7259 1.7007 -0.0303 -0.0021 -0.0094 291 VAL F CG2 5349 N N . ASP C 314 ? 1.7269 1.7029 1.6803 -0.0249 -0.0026 -0.0094 292 ASP F N 5350 C CA . ASP C 314 ? 1.7284 1.7048 1.6827 -0.0240 -0.0031 -0.0091 292 ASP F CA 5351 C C . ASP C 314 ? 1.7870 1.7644 1.7444 -0.0229 -0.0033 -0.0097 292 ASP F C 5352 O O . ASP C 314 ? 1.7810 1.7587 1.7393 -0.0225 -0.0036 -0.0098 292 ASP F O 5353 C CB . ASP C 314 ? 1.7514 1.7266 1.7044 -0.0232 -0.0040 -0.0077 292 ASP F CB 5354 C CG . ASP C 314 ? 1.8757 1.8496 1.8262 -0.0240 -0.0045 -0.0071 292 ASP F CG 5355 O OD1 . ASP C 314 ? 1.8822 1.8558 1.8313 -0.0248 -0.0045 -0.0073 292 ASP F OD1 5356 O OD2 . ASP C 314 ? 1.9486 1.9216 1.8986 -0.0238 -0.0050 -0.0065 292 ASP F OD2 5357 N N . ALA C 315 ? 1.7522 1.7297 1.7110 -0.0224 -0.0034 -0.0100 293 ALA F N 5358 C CA . ALA C 315 ? 1.7538 1.7316 1.7154 -0.0214 -0.0042 -0.0105 293 ALA F CA 5359 C C . ALA C 315 ? 1.8133 1.7928 1.7783 -0.0216 -0.0036 -0.0126 293 ALA F C 5360 O O . ALA C 315 ? 1.8078 1.7881 1.7724 -0.0228 -0.0022 -0.0136 293 ALA F O 5361 C CB . ALA C 315 ? 1.7632 1.7400 1.7243 -0.0208 -0.0048 -0.0097 293 ALA F CB 5362 N N . PRO C 316 ? 1.7652 1.8792 1.8011 0.1021 0.1920 0.0348 294 PRO F N 5363 C CA . PRO C 316 ? 1.7655 1.8788 1.8071 0.1042 0.1889 0.0326 294 PRO F CA 5364 C C . PRO C 316 ? 1.8199 1.9460 1.8466 0.1121 0.1743 0.0353 294 PRO F C 5365 O O . PRO C 316 ? 1.8067 1.9423 1.8221 0.1082 0.1591 0.0324 294 PRO F O 5366 C CB . PRO C 316 ? 1.7791 1.8897 1.8331 0.0871 0.1786 0.0195 294 PRO F CB 5367 C CG . PRO C 316 ? 1.8332 1.9414 1.8925 0.0775 0.1816 0.0149 294 PRO F CG 5368 C CD . PRO C 316 ? 1.7778 1.8903 1.8207 0.0850 0.1815 0.0238 294 PRO F CD 5369 N N . SER C 317 ? 1.7900 1.9161 1.8180 0.1231 0.1798 0.0402 295 SER F N 5370 C CA . SER C 317 ? 1.7885 1.9278 1.8051 0.1316 0.1680 0.0419 295 SER F CA 5371 C C . SER C 317 ? 1.8394 1.9771 1.8608 0.1204 0.1532 0.0336 295 SER F C 5372 O O . SER C 317 ? 1.8348 1.9613 1.8690 0.1149 0.1584 0.0308 295 SER F O 5373 C CB . SER C 317 ? 1.8438 1.9857 1.8584 0.1520 0.1829 0.0528 295 SER F CB 5374 O OG . SER C 317 ? 1.9525 2.1122 1.9554 0.1619 0.1717 0.0537 295 SER F OG 5375 N N . LEU C 318 ? 1.7963 1.9456 1.8083 0.1172 0.1360 0.0292 296 LEU F N 5376 C CA . LEU C 318 ? 1.7903 1.9389 1.8048 0.1075 0.1225 0.0225 296 LEU F CA 5377 C C . LEU C 318 ? 1.8467 2.0038 1.8566 0.1169 0.1181 0.0250 296 LEU F C 5378 O O . LEU C 318 ? 1.8396 2.0114 1.8405 0.1253 0.1142 0.0259 296 LEU F O 5379 C CB . LEU C 318 ? 1.7836 1.9363 1.7937 0.0952 0.1083 0.0149 296 LEU F CB 5380 C CG . LEU C 318 ? 1.8415 1.9861 1.8587 0.0822 0.1071 0.0092 296 LEU F CG 5381 C CD1 . LEU C 318 ? 1.8423 1.9806 1.8694 0.0755 0.1063 0.0047 296 LEU F CD1 5382 C CD2 . LEU C 318 ? 1.8783 2.0179 1.8990 0.0831 0.1192 0.0118 296 LEU F CD2 5383 N N . THR C 319 ? 1.8112 1.9604 1.8280 0.1158 0.1189 0.0253 297 THR F N 5384 C CA . THR C 319 ? 1.8116 1.9664 1.8258 0.1238 0.1149 0.0280 297 THR F CA 5385 C C . THR C 319 ? 1.8639 2.0118 1.8824 0.1124 0.1058 0.0230 297 THR F C 5386 O O . THR C 319 ? 1.8563 1.9957 1.8810 0.1008 0.1052 0.0180 297 THR F O 5387 C CB . THR C 319 ? 1.9224 2.0738 1.9397 0.1403 0.1304 0.0377 297 THR F CB 5388 O OG1 . THR C 319 ? 1.9225 2.0569 1.9519 0.1362 0.1434 0.0385 297 THR F OG1 5389 C CG2 . THR C 319 ? 1.9102 2.0750 1.9192 0.1569 0.1381 0.0441 297 THR F CG2 5390 N N . ASP C 320 ? 1.8252 1.9788 1.8402 0.1165 0.0990 0.0239 298 ASP F N 5391 C CA . ASP C 320 ? 1.8216 1.9699 1.8386 0.1079 0.0908 0.0209 298 ASP F CA 5392 C C . ASP C 320 ? 1.8736 2.0205 1.8899 0.0930 0.0820 0.0134 298 ASP F C 5393 O O . ASP C 320 ? 1.8666 2.0058 1.8875 0.0852 0.0811 0.0108 298 ASP F O 5394 C CB . ASP C 320 ? 1.8489 1.9839 1.8745 0.1098 0.0992 0.0245 298 ASP F CB 5395 C CG . ASP C 320 ? 1.9792 2.1144 2.0053 0.1263 0.1080 0.0332 298 ASP F CG 5396 O OD1 . ASP C 320 ? 1.9820 2.1230 2.0038 0.1314 0.1017 0.0355 298 ASP F OD1 5397 O OD2 . ASP C 320 ? 2.0615 2.1907 2.0931 0.1345 0.1225 0.0380 298 ASP F OD2 5398 N N . MET C 321 ? 1.8345 1.9903 1.8454 0.0903 0.0765 0.0098 299 MET F N 5399 C CA . MET C 321 ? 1.8318 1.9867 1.8417 0.0789 0.0699 0.0040 299 MET F CA 5400 C C . MET C 321 ? 1.8857 2.0434 1.8927 0.0744 0.0622 0.0015 299 MET F C 5401 O O . MET C 321 ? 1.8785 2.0440 1.8832 0.0790 0.0598 0.0014 299 MET F O 5402 C CB . MET C 321 ? 1.8614 2.0216 1.8684 0.0778 0.0698 0.0014 299 MET F CB 5403 C CG . MET C 321 ? 1.9111 2.0660 1.9216 0.0784 0.0777 0.0031 299 MET F CG 5404 S SD . MET C 321 ? 1.9618 2.1180 1.9700 0.0713 0.0748 -0.0011 299 MET F SD 5405 C CE . MET C 321 ? 1.9193 2.0882 1.9197 0.0778 0.0721 -0.0015 299 MET F CE 5406 N N . SER C 322 ? 1.8485 2.0013 1.8559 0.0663 0.0593 -0.0010 300 SER F N 5407 C CA . SER C 322 ? 1.8474 2.0009 1.8519 0.0619 0.0546 -0.0023 300 SER F CA 5408 C C . SER C 322 ? 1.9049 2.0577 1.9083 0.0558 0.0533 -0.0054 300 SER F C 5409 O O . SER C 322 ? 1.8999 2.0511 1.9055 0.0540 0.0547 -0.0068 300 SER F O 5410 C CB . SER C 322 ? 1.8925 2.0410 1.8974 0.0621 0.0540 0.0007 300 SER F CB 5411 O OG . SER C 322 ? 2.0057 2.1495 2.0143 0.0598 0.0564 -0.0001 300 SER F OG 5412 N N . CYS C 323 ? 1.8685 2.0229 1.8695 0.0534 0.0520 -0.0068 301 CYS F N 5413 C CA . CYS C 323 ? 1.8708 2.0245 1.8703 0.0501 0.0524 -0.0084 301 CYS F CA 5414 C C . CYS C 323 ? 1.9227 2.0747 1.9193 0.0490 0.0536 -0.0065 301 CYS F C 5415 O O . CYS C 323 ? 1.9162 2.0679 1.9131 0.0488 0.0547 -0.0062 301 CYS F O 5416 C CB . CYS C 323 ? 1.8766 2.0327 1.8771 0.0494 0.0533 -0.0117 301 CYS F CB 5417 S SG . CYS C 323 ? 1.9289 2.0830 1.9280 0.0476 0.0555 -0.0124 301 CYS F SG 5418 N N . GLU C 324 ? 1.8832 2.0359 1.8772 0.0492 0.0543 -0.0057 302 GLU F N 5419 C CA . GLU C 324 ? 1.8843 2.0369 1.8738 0.0505 0.0572 -0.0025 302 GLU F CA 5420 C C . GLU C 324 ? 1.9373 2.0928 1.9245 0.0531 0.0603 -0.0024 302 GLU F C 5421 O O . GLU C 324 ? 1.9303 2.0905 1.9188 0.0537 0.0581 -0.0052 302 GLU F O 5422 C CB . GLU C 324 ? 1.9014 2.0553 1.8882 0.0513 0.0553 -0.0004 302 GLU F CB 5423 C CG . GLU C 324 ? 2.0349 2.1943 2.0241 0.0515 0.0527 -0.0042 302 GLU F CG 5424 C CD . GLU C 324 ? 2.2883 2.4471 2.2790 0.0510 0.0510 -0.0044 302 GLU F CD 5425 O OE1 . GLU C 324 ? 2.2134 2.3697 2.1996 0.0517 0.0511 -0.0002 302 GLU F OE1 5426 O OE2 . GLU C 324 ? 2.2106 2.3713 2.2080 0.0499 0.0507 -0.0090 302 GLU F OE2 5427 N N . VAL C 325 ? 1.8992 2.0522 1.8841 0.0553 0.0669 0.0008 303 VAL F N 5428 C CA . VAL C 325 ? 1.9021 2.0572 1.8845 0.0604 0.0724 0.0027 303 VAL F CA 5429 C C . VAL C 325 ? 1.9566 2.1167 1.9315 0.0671 0.0770 0.0081 303 VAL F C 5430 O O . VAL C 325 ? 1.9546 2.1094 1.9274 0.0686 0.0847 0.0128 303 VAL F O 5431 C CB . VAL C 325 ? 1.9547 2.1026 1.9420 0.0594 0.0795 0.0019 303 VAL F CB 5432 C CG1 . VAL C 325 ? 1.9583 2.1066 1.9433 0.0667 0.0872 0.0053 303 VAL F CG1 5433 C CG2 . VAL C 325 ? 1.9482 2.0950 1.9414 0.0542 0.0743 -0.0041 303 VAL F CG2 5434 N N . PRO C 326 ? 1.9142 2.0861 1.8853 0.0714 0.0731 0.0068 304 PRO F N 5435 C CA . PRO C 326 ? 1.9168 2.0976 1.8795 0.0795 0.0774 0.0113 304 PRO F CA 5436 C C . PRO C 326 ? 1.9744 2.1573 1.9323 0.0898 0.0881 0.0175 304 PRO F C 5437 O O . PRO C 326 ? 1.9740 2.1588 1.9246 0.0968 0.0961 0.0242 304 PRO F O 5438 C CB . PRO C 326 ? 1.9355 2.1322 1.8986 0.0810 0.0700 0.0048 304 PRO F CB 5439 C CG . PRO C 326 ? 1.9876 2.1836 1.9586 0.0763 0.0650 -0.0014 304 PRO F CG 5440 C CD . PRO C 326 ? 1.9297 2.1093 1.9050 0.0693 0.0656 0.0001 304 PRO F CD 5441 N N . ALA C 327 ? 1.9334 2.1157 1.8950 0.0918 0.0893 0.0159 305 ALA F N 5442 C CA . ALA C 327 ? 1.9397 2.1232 1.8978 0.1032 0.1005 0.0220 305 ALA F CA 5443 C C . ALA C 327 ? 1.9900 2.1616 1.9557 0.1003 0.1039 0.0209 305 ALA F C 5444 O O . ALA C 327 ? 1.9777 2.1493 1.9485 0.0936 0.0948 0.0146 305 ALA F O 5445 C CB . ALA C 327 ? 1.9505 2.1551 1.9027 0.1147 0.0981 0.0211 305 ALA F CB 5446 N N . CYS C 328 ? 1.9561 2.1174 1.9231 0.1055 0.1185 0.0270 306 CYS F N 5447 C CA . CYS C 328 ? 1.9568 2.1065 1.9321 0.1038 0.1246 0.0256 306 CYS F CA 5448 C C . CYS C 328 ? 2.0181 2.1614 1.9933 0.1159 0.1436 0.0339 306 CYS F C 5449 O O . CYS C 328 ? 2.0188 2.1582 1.9917 0.1206 0.1561 0.0402 306 CYS F O 5450 C CB . CYS C 328 ? 1.9559 2.0940 1.9411 0.0897 0.1219 0.0185 306 CYS F CB 5451 S SG . CYS C 328 ? 2.0051 2.1338 2.0007 0.0858 0.1245 0.0131 306 CYS F SG 5452 N N . THR C 329 ? 1.9785 2.1196 1.9568 0.1212 0.1467 0.0343 307 THR F N 5453 C CA . THR C 329 ? 1.9885 2.1215 1.9689 0.1339 0.1659 0.0420 307 THR F CA 5454 C C . THR C 329 ? 2.0374 2.1577 2.0293 0.1270 0.1669 0.0362 307 THR F C 5455 O O . THR C 329 ? 2.0244 2.1501 2.0154 0.1240 0.1535 0.0318 307 THR F O 5456 C CB . THR C 329 ? 2.0946 2.2441 2.0636 0.1531 0.1683 0.0502 307 THR F CB 5457 O OG1 . THR C 329 ? 2.0896 2.2525 2.0482 0.1588 0.1675 0.0541 307 THR F OG1 5458 C CG2 . THR C 329 ? 2.0901 2.2314 2.0608 0.1694 0.1897 0.0599 307 THR F CG2 5459 N N . HIS C 330 ? 2.0022 2.1061 2.0059 0.1236 0.1830 0.0351 308 HIS F N 5460 C CA . HIS C 330 ? 1.9999 2.0926 2.0160 0.1170 0.1854 0.0280 308 HIS F CA 5461 C C . HIS C 330 ? 2.0577 2.1459 2.0737 0.1314 0.1963 0.0353 308 HIS F C 5462 O O . HIS C 330 ? 2.0646 2.1436 2.0846 0.1427 0.2182 0.0428 308 HIS F O 5463 C CB . HIS C 330 ? 2.0116 2.0921 2.0436 0.1053 0.1964 0.0193 308 HIS F CB 5464 C CG . HIS C 330 ? 2.0675 2.1375 2.1057 0.1127 0.2214 0.0256 308 HIS F CG 5465 N ND1 . HIS C 330 ? 2.1016 2.1585 2.1491 0.1221 0.2430 0.0297 308 HIS F ND1 5466 C CD2 . HIS C 330 ? 2.0922 2.1620 2.1295 0.1118 0.2288 0.0284 308 HIS F CD2 5467 C CE1 . HIS C 330 ? 2.1046 2.1538 2.1567 0.1270 0.2643 0.0351 308 HIS F CE1 5468 N NE2 . HIS C 330 ? 2.1035 2.1603 2.1492 0.1208 0.2561 0.0346 308 HIS F NE2 5469 N N . SER C 331 ? 2.0079 2.1034 2.0189 0.1321 0.1817 0.0338 309 SER F N 5470 C CA . SER C 331 ? 2.0114 2.1053 2.0210 0.1460 0.1878 0.0404 309 SER F CA 5471 C C . SER C 331 ? 2.0516 2.1444 2.0638 0.1373 0.1732 0.0332 309 SER F C 5472 O O . SER C 331 ? 2.0360 2.1301 2.0505 0.1214 0.1593 0.0236 309 SER F O 5473 C CB . SER C 331 ? 2.0586 2.1707 2.0539 0.1636 0.1859 0.0501 309 SER F CB 5474 O OG . SER C 331 ? 2.1566 2.2863 2.1439 0.1569 0.1642 0.0446 309 SER F OG 5475 N N . SER C 332 ? 2.0126 2.1032 2.0238 0.1488 0.1770 0.0387 310 SER F N 5476 C CA . SER C 332 ? 2.0030 2.0919 2.0155 0.1427 0.1647 0.0339 310 SER F CA 5477 C C . SER C 332 ? 2.0398 2.1466 2.0426 0.1377 0.1425 0.0305 310 SER F C 5478 O O . SER C 332 ? 2.0250 2.1303 2.0293 0.1258 0.1299 0.0237 310 SER F O 5479 C CB . SER C 332 ? 2.0562 2.1387 2.0697 0.1586 0.1757 0.0422 310 SER F CB 5480 O OG . SER C 332 ? 2.1786 2.2421 2.2041 0.1625 0.1987 0.0443 310 SER F OG 5481 N N . ASP C 333 ? 1.9971 2.1214 1.9907 0.1470 0.1390 0.0348 311 ASP F N 5482 C CA . ASP C 333 ? 1.9851 2.1280 1.9721 0.1429 0.1208 0.0301 311 ASP F CA 5483 C C . ASP C 333 ? 2.0275 2.1734 2.0146 0.1290 0.1128 0.0235 311 ASP F C 5484 O O . ASP C 333 ? 2.0247 2.1595 2.0161 0.1230 0.1204 0.0227 311 ASP F O 5485 C CB . ASP C 333 ? 2.0115 2.1757 1.9903 0.1614 0.1216 0.0357 311 ASP F CB 5486 C CG . ASP C 333 ? 2.1410 2.3134 2.1147 0.1712 0.1314 0.0409 311 ASP F CG 5487 O OD1 . ASP C 333 ? 2.1565 2.3148 2.1325 0.1772 0.1487 0.0478 311 ASP F OD1 5488 O OD2 . ASP C 333 ? 2.2099 2.4032 2.1779 0.1732 0.1228 0.0377 311 ASP F OD2 5489 N N . PHE C 334 ? 1.9757 2.1367 1.9595 0.1241 0.0986 0.0182 312 PHE F N 5490 C CA . PHE C 334 ? 1.9676 2.1316 1.9516 0.1124 0.0912 0.0125 312 PHE F CA 5491 C C . PHE C 334 ? 2.0190 2.1930 1.9982 0.1197 0.0961 0.0157 312 PHE F C 5492 O O . PHE C 334 ? 2.0103 2.2026 1.9856 0.1234 0.0897 0.0132 312 PHE F O 5493 C CB . PHE C 334 ? 1.9812 2.1548 1.9661 0.1039 0.0771 0.0053 312 PHE F CB 5494 C CG . PHE C 334 ? 1.9972 2.1604 1.9855 0.0961 0.0726 0.0028 312 PHE F CG 5495 C CD1 . PHE C 334 ? 2.0336 2.1851 2.0252 0.0843 0.0711 -0.0005 312 PHE F CD1 5496 C CD2 . PHE C 334 ? 2.0237 2.1908 2.0114 0.1015 0.0700 0.0039 312 PHE F CD2 5497 C CE1 . PHE C 334 ? 2.0422 2.1860 2.0356 0.0783 0.0676 -0.0026 312 PHE F CE1 5498 C CE2 . PHE C 334 ? 2.0559 2.2130 2.0457 0.0943 0.0661 0.0023 312 PHE F CE2 5499 C CZ . PHE C 334 ? 2.0295 2.1751 2.0216 0.0828 0.0651 -0.0009 312 PHE F CZ 5500 N N . GLY C 335 ? 1.9817 2.1440 1.9619 0.1216 0.1085 0.0205 313 GLY F N 5501 C CA . GLY C 335 ? 1.9842 2.1524 1.9591 0.1287 0.1158 0.0253 313 GLY F CA 5502 C C . GLY C 335 ? 2.0264 2.1933 2.0019 0.1167 0.1098 0.0209 313 GLY F C 5503 O O . GLY C 335 ? 2.0239 2.1957 1.9945 0.1213 0.1147 0.0248 313 GLY F O 5504 N N . GLY C 336 ? 1.9743 2.1353 1.9552 0.1026 0.1000 0.0137 314 GLY F N 5505 C CA . GLY C 336 ? 1.9663 2.1259 1.9485 0.0920 0.0939 0.0096 314 GLY F CA 5506 C C . GLY C 336 ? 2.0054 2.1763 1.9867 0.0871 0.0811 0.0040 314 GLY F C 5507 O O . GLY C 336 ? 1.9960 2.1711 1.9790 0.0859 0.0750 0.0005 314 GLY F O 5508 N N . VAL C 337 ? 1.9585 2.1336 1.9379 0.0843 0.0781 0.0030 315 VAL F N 5509 C CA . VAL C 337 ? 1.9493 2.1337 1.9301 0.0794 0.0687 -0.0029 315 VAL F CA 5510 C C . VAL C 337 ? 1.9923 2.1676 1.9760 0.0701 0.0660 -0.0044 315 VAL F C 5511 O O . VAL C 337 ? 1.9890 2.1589 1.9706 0.0702 0.0704 -0.0007 315 VAL F O 5512 C CB . VAL C 337 ? 2.0003 2.2024 1.9764 0.0873 0.0682 -0.0035 315 VAL F CB 5513 C CG1 . VAL C 337 ? 1.9923 2.2029 1.9731 0.0810 0.0605 -0.0115 315 VAL F CG1 5514 C CG2 . VAL C 337 ? 2.0013 2.2169 1.9746 0.0988 0.0705 -0.0028 315 VAL F CG2 5515 N N . ALA C 338 ? 1.9419 2.1159 1.9304 0.0632 0.0599 -0.0091 316 ALA F N 5516 C CA . ALA C 338 ? 1.9360 2.1033 1.9270 0.0571 0.0578 -0.0100 316 ALA F CA 5517 C C . ALA C 338 ? 1.9779 2.1496 1.9730 0.0539 0.0536 -0.0142 316 ALA F C 5518 O O . ALA C 338 ? 1.9704 2.1459 1.9694 0.0528 0.0519 -0.0180 316 ALA F O 5519 C CB . ALA C 338 ? 1.9446 2.1037 1.9382 0.0535 0.0585 -0.0105 316 ALA F CB 5520 N N . ILE C 339 ? 1.9312 2.1017 1.9267 0.0526 0.0530 -0.0137 317 ILE F N 5521 C CA . ILE C 339 ? 1.9255 2.0979 1.9269 0.0499 0.0516 -0.0177 317 ILE F CA 5522 C C . ILE C 339 ? 1.9691 2.1324 1.9727 0.0478 0.0521 -0.0155 317 ILE F C 5523 O O . ILE C 339 ? 1.9629 2.1220 1.9635 0.0484 0.0521 -0.0118 317 ILE F O 5524 C CB . ILE C 339 ? 1.9655 2.1451 1.9663 0.0514 0.0512 -0.0194 317 ILE F CB 5525 C CG1 . ILE C 339 ? 1.9725 2.1667 1.9709 0.0561 0.0511 -0.0226 317 ILE F CG1 5526 C CG2 . ILE C 339 ? 1.9736 2.1530 1.9833 0.0482 0.0518 -0.0244 317 ILE F CG2 5527 C CD1 . ILE C 339 ? 2.0670 2.2700 2.0598 0.0605 0.0515 -0.0218 317 ILE F CD1 5528 N N . ILE C 340 ? 1.9228 2.0845 1.9317 0.0464 0.0534 -0.0176 318 ILE F N 5529 C CA . ILE C 340 ? 1.9195 2.0753 1.9299 0.0473 0.0554 -0.0149 318 ILE F CA 5530 C C . ILE C 340 ? 1.9650 2.1188 1.9831 0.0475 0.0597 -0.0164 318 ILE F C 5531 O O . ILE C 340 ? 1.9598 2.1151 1.9847 0.0455 0.0630 -0.0206 318 ILE F O 5532 C CB . ILE C 340 ? 1.9594 2.1144 1.9681 0.0477 0.0558 -0.0144 318 ILE F CB 5533 C CG1 . ILE C 340 ? 1.9647 2.1206 1.9684 0.0474 0.0534 -0.0140 318 ILE F CG1 5534 C CG2 . ILE C 340 ? 1.9699 2.1230 1.9791 0.0515 0.0588 -0.0115 318 ILE F CG2 5535 C CD1 . ILE C 340 ? 2.0603 2.2166 2.0631 0.0465 0.0532 -0.0154 318 ILE F CD1 5536 N N . LYS C 341 ? 1.9188 2.0687 1.9369 0.0499 0.0606 -0.0132 319 LYS F N 5537 C CA . LYS C 341 ? 1.9170 2.0626 1.9434 0.0513 0.0667 -0.0135 319 LYS F CA 5538 C C . LYS C 341 ? 1.9643 2.1057 1.9919 0.0566 0.0726 -0.0090 319 LYS F C 5539 O O . LYS C 341 ? 1.9576 2.1008 1.9782 0.0604 0.0699 -0.0050 319 LYS F O 5540 C CB . LYS C 341 ? 1.9486 2.0917 1.9739 0.0526 0.0651 -0.0113 319 LYS F CB 5541 C CG . LYS C 341 ? 2.1312 2.2800 2.1568 0.0487 0.0619 -0.0163 319 LYS F CG 5542 C CD . LYS C 341 ? 2.2602 2.4060 2.2832 0.0500 0.0602 -0.0133 319 LYS F CD 5543 C CE . LYS C 341 ? 2.3987 2.5530 2.4200 0.0476 0.0573 -0.0181 319 LYS F CE 5544 N NZ . LYS C 341 ? 2.5138 2.6647 2.5313 0.0487 0.0556 -0.0144 319 LYS F NZ 5545 N N . TYR C 342 ? 1.9219 2.0591 1.9591 0.0575 0.0819 -0.0103 320 TYR F N 5546 C CA . TYR C 342 ? 1.9226 2.0562 1.9605 0.0646 0.0903 -0.0048 320 TYR F CA 5547 C C . TYR C 342 ? 1.9724 2.0978 2.0217 0.0689 0.1036 -0.0032 320 TYR F C 5548 O O . TYR C 342 ? 1.9667 2.0894 2.0264 0.0640 0.1069 -0.0091 320 TYR F O 5549 C CB . TYR C 342 ? 1.9383 2.0746 1.9748 0.0622 0.0912 -0.0063 320 TYR F CB 5550 C CG . TYR C 342 ? 1.9614 2.0972 2.0087 0.0551 0.0958 -0.0138 320 TYR F CG 5551 C CD1 . TYR C 342 ? 1.9921 2.1220 2.0505 0.0566 0.1096 -0.0141 320 TYR F CD1 5552 C CD2 . TYR C 342 ? 1.9665 2.1092 2.0137 0.0481 0.0877 -0.0208 320 TYR F CD2 5553 C CE1 . TYR C 342 ? 2.0023 2.1338 2.0734 0.0493 0.1146 -0.0232 320 TYR F CE1 5554 C CE2 . TYR C 342 ? 1.9779 2.1243 2.0360 0.0424 0.0913 -0.0295 320 TYR F CE2 5555 C CZ . TYR C 342 ? 2.0759 2.2170 2.1467 0.0421 0.1045 -0.0316 320 TYR F CZ 5556 O OH . TYR C 342 ? 2.0871 2.2337 2.1712 0.0357 0.1089 -0.0422 320 TYR F OH 5557 N N . ALA C 343 ? 1.9310 2.0538 1.9788 0.0791 0.1126 0.0045 321 ALA F N 5558 C CA . ALA C 343 ? 1.9352 2.0489 1.9936 0.0864 0.1292 0.0085 321 ALA F CA 5559 C C . ALA C 343 ? 1.9857 2.0991 2.0430 0.0922 0.1398 0.0130 321 ALA F C 5560 O O . ALA C 343 ? 1.9806 2.1005 2.0266 0.1021 0.1386 0.0202 321 ALA F O 5561 C CB . ALA C 343 ? 1.9469 2.0586 2.0017 0.0977 0.1308 0.0165 321 ALA F CB 5562 N N . ALA C 344 ? 1.9431 2.0515 2.0123 0.0857 0.1495 0.0076 322 ALA F N 5563 C CA . ALA C 344 ? 1.9454 2.0523 2.0146 0.0896 0.1609 0.0116 322 ALA F CA 5564 C C . ALA C 344 ? 2.0028 2.0985 2.0842 0.0990 0.1844 0.0173 322 ALA F C 5565 O O . ALA C 344 ? 1.9996 2.0869 2.0969 0.0959 0.1936 0.0124 322 ALA F O 5566 C CB . ALA C 344 ? 1.9505 2.0597 2.0250 0.0764 0.1570 0.0020 322 ALA F CB 5567 N N . SER C 345 ? 1.9654 2.0614 2.0396 0.1112 0.1955 0.0276 323 SER F N 5568 C CA . SER C 345 ? 1.9757 2.0609 2.0597 0.1234 0.2212 0.0359 323 SER F CA 5569 C C . SER C 345 ? 2.0276 2.1027 2.1307 0.1134 0.2373 0.0285 323 SER F C 5570 O O . SER C 345 ? 2.0313 2.0939 2.1519 0.1171 0.2588 0.0290 323 SER F O 5571 C CB . SER C 345 ? 2.0271 2.1194 2.0953 0.1412 0.2278 0.0494 323 SER F CB 5572 O OG . SER C 345 ? 2.1337 2.2334 2.1921 0.1357 0.2207 0.0478 323 SER F OG 5573 N N . LYS C 346 ? 1.9765 2.0571 2.0776 0.1009 0.2279 0.0211 324 LYS F N 5574 C CA . LYS C 346 ? 1.9761 2.0508 2.0952 0.0900 0.2406 0.0121 324 LYS F CA 5575 C C . LYS C 346 ? 2.0117 2.0965 2.1297 0.0737 0.2212 -0.0005 324 LYS F C 5576 O O . LYS C 346 ? 1.9969 2.0913 2.0984 0.0719 0.1997 -0.0002 324 LYS F O 5577 C CB . LYS C 346 ? 2.0194 2.0872 2.1381 0.0998 0.2625 0.0227 324 LYS F CB 5578 C CG . LYS C 346 ? 2.1984 2.2756 2.2929 0.1068 0.2522 0.0326 324 LYS F CG 5579 C CD . LYS C 346 ? 2.3373 2.4081 2.4302 0.1194 0.2764 0.0449 324 LYS F CD 5580 C CE . LYS C 346 ? 2.4725 2.5552 2.5403 0.1296 0.2673 0.0551 324 LYS F CE 5581 N NZ . LYS C 346 ? 2.5888 2.6813 2.6418 0.1470 0.2626 0.0644 324 LYS F NZ 5582 N N . LYS C 347 ? 1.9683 2.0513 2.1050 0.0625 0.2305 -0.0120 325 LYS F N 5583 C CA . LYS C 347 ? 1.9558 2.0499 2.0941 0.0487 0.2151 -0.0246 325 LYS F CA 5584 C C . LYS C 347 ? 2.0025 2.0985 2.1265 0.0496 0.2111 -0.0175 325 LYS F C 5585 O O . LYS C 347 ? 2.0052 2.0927 2.1287 0.0565 0.2284 -0.0082 325 LYS F O 5586 C CB . LYS C 347 ? 1.9895 2.0843 2.1561 0.0375 0.2279 -0.0415 325 LYS F CB 5587 C CG . LYS C 347 ? 2.1600 2.2714 2.3305 0.0250 0.2105 -0.0573 325 LYS F CG 5588 C CD . LYS C 347 ? 2.2873 2.4035 2.4879 0.0147 0.2246 -0.0762 325 LYS F CD 5589 C CE . LYS C 347 ? 2.4110 2.5479 2.6148 0.0048 0.2079 -0.0919 325 LYS F CE 5590 N NZ . LYS C 347 ? 2.5259 2.6720 2.7610 -0.0052 0.2216 -0.1132 325 LYS F NZ 5591 N N . GLY C 348 ? 1.9489 2.0554 2.0610 0.0434 0.1897 -0.0214 326 GLY F N 5592 C CA . GLY C 348 ? 1.9437 2.0527 2.0419 0.0430 0.1829 -0.0161 326 GLY F CA 5593 C C . GLY C 348 ? 1.9810 2.1003 2.0650 0.0391 0.1590 -0.0187 326 GLY F C 5594 O O . GLY C 348 ? 1.9706 2.0952 2.0530 0.0382 0.1477 -0.0227 326 GLY F O 5595 N N . LYS C 349 ? 1.9338 2.0550 2.0077 0.0373 0.1525 -0.0160 327 LYS F N 5596 C CA . LYS C 349 ? 1.9225 2.0516 1.9837 0.0345 0.1325 -0.0176 327 LYS F CA 5597 C C . LYS C 349 ? 1.9697 2.0992 2.0125 0.0425 0.1245 -0.0082 327 LYS F C 5598 O O . LYS C 349 ? 1.9690 2.0952 2.0036 0.0499 0.1321 0.0007 327 LYS F O 5599 C CB . LYS C 349 ? 1.9513 2.0821 2.0116 0.0289 0.1294 -0.0196 327 LYS F CB 5600 C CG . LYS C 349 ? 2.1314 2.2699 2.2084 0.0201 0.1286 -0.0330 327 LYS F CG 5601 C CD . LYS C 349 ? 2.2648 2.3988 2.3596 0.0160 0.1474 -0.0372 327 LYS F CD 5602 C CE . LYS C 349 ? 2.3982 2.5441 2.5113 0.0071 0.1463 -0.0533 327 LYS F CE 5603 N NZ . LYS C 349 ? 2.5121 2.6673 2.6387 0.0050 0.1454 -0.0652 327 LYS F NZ 5604 N N . CYS C 350 ? 1.9199 2.0550 1.9569 0.0416 0.1103 -0.0110 328 CYS F N 5605 C CA . CYS C 350 ? 1.9158 2.0536 1.9387 0.0475 0.1023 -0.0056 328 CYS F CA 5606 C C . CYS C 350 ? 1.9556 2.0976 1.9711 0.0436 0.0884 -0.0085 328 CYS F C 5607 O O . CYS C 350 ? 1.9459 2.0907 1.9666 0.0385 0.0825 -0.0145 328 CYS F O 5608 C CB . CYS C 350 ? 1.9208 2.0596 1.9451 0.0516 0.1020 -0.0052 328 CYS F CB 5609 S SG . CYS C 350 ? 1.9788 2.1132 2.0049 0.0625 0.1182 0.0029 328 CYS F SG 5610 N N . ALA C 351 ? 1.9098 2.0534 1.9139 0.0471 0.0845 -0.0045 329 ALA F N 5611 C CA . ALA C 351 ? 1.9019 2.0477 1.9001 0.0444 0.0739 -0.0068 329 ALA F CA 5612 C C . ALA C 351 ? 1.9460 2.0953 1.9428 0.0454 0.0675 -0.0092 329 ALA F C 5613 O O . ALA C 351 ? 1.9417 2.0938 1.9370 0.0501 0.0696 -0.0077 329 ALA F O 5614 C CB . ALA C 351 ? 1.9121 2.0589 1.9006 0.0471 0.0738 -0.0033 329 ALA F CB 5615 N N . VAL C 352 ? 1.8983 2.0476 1.8956 0.0420 0.0608 -0.0125 330 VAL F N 5616 C CA . VAL C 352 ? 1.8942 2.0454 1.8909 0.0427 0.0566 -0.0145 330 VAL F CA 5617 C C . VAL C 352 ? 1.9405 2.0915 1.9328 0.0426 0.0531 -0.0155 330 VAL F C 5618 O O . VAL C 352 ? 1.9338 2.0821 1.9254 0.0410 0.0511 -0.0156 330 VAL F O 5619 C CB . VAL C 352 ? 1.9425 2.0950 1.9442 0.0410 0.0547 -0.0170 330 VAL F CB 5620 C CG1 . VAL C 352 ? 1.9400 2.0935 1.9404 0.0424 0.0525 -0.0174 330 VAL F CG1 5621 C CG2 . VAL C 352 ? 1.9412 2.0948 1.9500 0.0401 0.0590 -0.0183 330 VAL F CG2 5622 N N . HIS C 353 ? 1.8963 2.0508 1.8869 0.0446 0.0530 -0.0173 331 HIS F N 5623 C CA . HIS C 353 ? 1.8932 2.0482 1.8828 0.0440 0.0517 -0.0208 331 HIS F CA 5624 C C . HIS C 353 ? 1.9395 2.0984 1.9325 0.0446 0.0524 -0.0251 331 HIS F C 5625 O O . HIS C 353 ? 1.9336 2.0986 1.9268 0.0470 0.0531 -0.0256 331 HIS F O 5626 C CB . HIS C 353 ? 1.9032 2.0625 1.8881 0.0456 0.0522 -0.0214 331 HIS F CB 5627 C CG . HIS C 353 ? 1.9455 2.1036 1.9305 0.0437 0.0510 -0.0255 331 HIS F CG 5628 N ND1 . HIS C 353 ? 1.9678 2.1343 1.9548 0.0446 0.0518 -0.0328 331 HIS F ND1 5629 C CD2 . HIS C 353 ? 1.9666 2.1167 1.9512 0.0414 0.0497 -0.0241 331 HIS F CD2 5630 C CE1 . HIS C 353 ? 1.9601 2.1220 1.9486 0.0421 0.0518 -0.0358 331 HIS F CE1 5631 N NE2 . HIS C 353 ? 1.9638 2.1149 1.9502 0.0407 0.0505 -0.0298 331 HIS F NE2 5632 N N . SER C 354 ? 1.8953 2.0506 1.8916 0.0428 0.0535 -0.0283 332 SER F N 5633 C CA . SER C 354 ? 1.8935 2.0514 1.8955 0.0423 0.0565 -0.0336 332 SER F CA 5634 C C . SER C 354 ? 1.9410 2.1082 1.9454 0.0422 0.0573 -0.0419 332 SER F C 5635 O O . SER C 354 ? 1.9354 2.1013 1.9394 0.0411 0.0574 -0.0442 332 SER F O 5636 C CB . SER C 354 ? 1.9406 2.0897 1.9466 0.0416 0.0606 -0.0330 332 SER F CB 5637 O OG . SER C 354 ? 2.0527 2.2028 2.0656 0.0407 0.0659 -0.0377 332 SER F OG 5638 N N . MET C 355 ? 1.8964 2.0751 1.9036 0.0438 0.0576 -0.0469 333 MET F N 5639 C CA . MET C 355 ? 1.8933 2.0870 1.9041 0.0450 0.0583 -0.0573 333 MET F CA 5640 C C . MET C 355 ? 1.9416 2.1357 1.9644 0.0406 0.0638 -0.0681 333 MET F C 5641 O O . MET C 355 ? 1.9351 2.1430 1.9640 0.0403 0.0653 -0.0799 333 MET F O 5642 C CB . MET C 355 ? 1.9220 2.1314 1.9306 0.0508 0.0566 -0.0586 333 MET F CB 5643 C CG . MET C 355 ? 1.9688 2.1862 1.9680 0.0572 0.0548 -0.0543 333 MET F CG 5644 S SD . MET C 355 ? 2.0218 2.2579 2.0209 0.0597 0.0549 -0.0656 333 MET F SD 5645 C CE . MET C 355 ? 1.9818 2.2267 1.9676 0.0703 0.0551 -0.0561 333 MET F CE 5646 N N . THR C 356 ? 1.8997 2.0797 1.9268 0.0378 0.0682 -0.0644 334 THR F N 5647 C CA . THR C 356 ? 1.9002 2.0760 1.9400 0.0341 0.0771 -0.0724 334 THR F CA 5648 C C . THR C 356 ? 1.9512 2.1121 1.9910 0.0335 0.0809 -0.0684 334 THR F C 5649 O O . THR C 356 ? 1.9459 2.0962 1.9777 0.0359 0.0787 -0.0570 334 THR F O 5650 C CB . THR C 356 ? 2.0052 2.1768 2.0491 0.0336 0.0816 -0.0700 334 THR F CB 5651 O OG1 . THR C 356 ? 1.9967 2.1809 2.0377 0.0355 0.0761 -0.0709 334 THR F OG1 5652 C CG2 . THR C 356 ? 1.9918 2.1610 2.0513 0.0299 0.0937 -0.0798 334 THR F CG2 5653 N N . ASN C 357 ? 1.9093 2.0711 1.9589 0.0310 0.0868 -0.0786 335 ASN F N 5654 C CA . ASN C 357 ? 1.9102 2.0579 1.9614 0.0312 0.0915 -0.0758 335 ASN F CA 5655 C C . ASN C 357 ? 1.9635 2.0949 2.0189 0.0336 0.1017 -0.0684 335 ASN F C 5656 O O . ASN C 357 ? 1.9602 2.0797 2.0127 0.0370 0.1039 -0.0611 335 ASN F O 5657 C CB . ASN C 357 ? 1.9227 2.0766 1.9854 0.0277 0.0964 -0.0904 335 ASN F CB 5658 C CG . ASN C 357 ? 2.2132 2.3846 2.2692 0.0277 0.0870 -0.0964 335 ASN F CG 5659 O OD1 . ASN C 357 ? 2.1402 2.3104 2.1819 0.0303 0.0784 -0.0867 335 ASN F OD1 5660 N ND2 . ASN C 357 ? 2.1103 2.3000 2.1771 0.0254 0.0895 -0.1130 335 ASN F ND2 5661 N N . ALA C 358 ? 1.9219 2.0536 1.9836 0.0331 0.1083 -0.0697 336 ALA F N 5662 C CA . ALA C 358 ? 1.9262 2.0444 1.9912 0.0370 0.1200 -0.0621 336 ALA F CA 5663 C C . ALA C 358 ? 1.9731 2.0875 2.0232 0.0431 0.1135 -0.0470 336 ALA F C 5664 O O . ALA C 358 ? 1.9730 2.0779 2.0225 0.0494 0.1224 -0.0388 336 ALA F O 5665 C CB . ALA C 358 ? 1.9383 2.0594 2.0152 0.0338 0.1298 -0.0694 336 ALA F CB 5666 N N . VAL C 359 ? 1.9227 2.0459 1.9618 0.0422 0.0996 -0.0441 337 VAL F N 5667 C CA . VAL C 359 ? 1.9187 2.0419 1.9461 0.0466 0.0927 -0.0333 337 VAL F CA 5668 C C . VAL C 359 ? 1.9622 2.0875 1.9815 0.0469 0.0826 -0.0304 337 VAL F C 5669 O O . VAL C 359 ? 1.9527 2.0836 1.9715 0.0431 0.0771 -0.0356 337 VAL F O 5670 C CB . VAL C 359 ? 1.9657 2.0961 1.9901 0.0451 0.0883 -0.0327 337 VAL F CB 5671 C CG1 . VAL C 359 ? 1.9617 2.0936 1.9762 0.0489 0.0820 -0.0239 337 VAL F CG1 5672 C CG2 . VAL C 359 ? 1.9677 2.0955 2.0001 0.0446 0.0988 -0.0350 337 VAL F CG2 5673 N N . THR C 360 ? 1.9188 2.0415 1.9320 0.0522 0.0809 -0.0225 338 THR F N 5674 C CA . THR C 360 ? 1.9121 2.0369 1.9191 0.0523 0.0724 -0.0199 338 THR F CA 5675 C C . THR C 360 ? 1.9567 2.0880 1.9581 0.0550 0.0672 -0.0152 338 THR F C 5676 O O . THR C 360 ? 1.9536 2.0860 1.9541 0.0609 0.0711 -0.0112 338 THR F O 5677 C CB . THR C 360 ? 2.0181 2.1355 2.0259 0.0561 0.0758 -0.0176 338 THR F CB 5678 O OG1 . THR C 360 ? 2.0169 2.1277 2.0331 0.0543 0.0843 -0.0230 338 THR F OG1 5679 C CG2 . THR C 360 ? 1.9961 2.1149 1.9988 0.0540 0.0674 -0.0169 338 THR F CG2 5680 N N . ILE C 361 ? 1.9081 2.0445 1.9065 0.0513 0.0597 -0.0162 339 ILE F N 5681 C CA . ILE C 361 ? 1.9035 2.0470 1.8998 0.0523 0.0557 -0.0146 339 ILE F CA 5682 C C . ILE C 361 ? 1.9496 2.0960 1.9446 0.0544 0.0523 -0.0133 339 ILE F C 5683 O O . ILE C 361 ? 1.9421 2.0849 1.9363 0.0518 0.0503 -0.0136 339 ILE F O 5684 C CB . ILE C 361 ? 1.9404 2.0872 1.9369 0.0477 0.0527 -0.0167 339 ILE F CB 5685 C CG1 . ILE C 361 ? 1.9474 2.0934 1.9454 0.0467 0.0554 -0.0182 339 ILE F CG1 5686 C CG2 . ILE C 361 ? 1.9481 2.1014 1.9454 0.0480 0.0504 -0.0168 339 ILE F CG2 5687 C CD1 . ILE C 361 ? 2.0394 2.1887 2.0373 0.0444 0.0535 -0.0200 339 ILE F CD1 5688 N N . ARG C 362 ? 1.9063 2.0611 1.9011 0.0595 0.0518 -0.0125 340 ARG F N 5689 C CA . ARG C 362 ? 1.9020 2.0645 1.8971 0.0629 0.0487 -0.0130 340 ARG F CA 5690 C C . ARG C 362 ? 1.9462 2.1116 1.9442 0.0562 0.0445 -0.0168 340 ARG F C 5691 O O . ARG C 362 ? 1.9387 2.1027 1.9365 0.0555 0.0425 -0.0165 340 ARG F O 5692 C CB . ARG C 362 ? 1.9070 2.0833 1.9019 0.0711 0.0495 -0.0134 340 ARG F CB 5693 C CG . ARG C 362 ? 2.0372 2.2248 2.0322 0.0785 0.0475 -0.0139 340 ARG F CG 5694 C CD . ARG C 362 ? 2.1601 2.3689 2.1575 0.0835 0.0456 -0.0193 340 ARG F CD 5695 N NE . ARG C 362 ? 2.2737 2.4887 2.2665 0.0935 0.0505 -0.0156 340 ARG F NE 5696 C CZ . ARG C 362 ? 2.4553 2.6901 2.4484 0.0994 0.0498 -0.0199 340 ARG F CZ 5697 N NH1 . ARG C 362 ? 2.2917 2.5424 2.2918 0.0953 0.0446 -0.0300 340 ARG F NH1 5698 N NH2 . ARG C 362 ? 2.2934 2.5330 2.2806 0.1095 0.0555 -0.0149 340 ARG F NH2 5699 N N . GLU C 363 ? 1.9017 2.0701 1.9028 0.0517 0.0445 -0.0200 341 GLU F N 5700 C CA . GLU C 363 ? 1.8969 2.0667 1.9026 0.0459 0.0441 -0.0234 341 GLU F CA 5701 C C . GLU C 363 ? 1.9456 2.1050 1.9487 0.0416 0.0458 -0.0206 341 GLU F C 5702 O O . GLU C 363 ? 1.9407 2.0955 1.9408 0.0417 0.0470 -0.0187 341 GLU F O 5703 C CB . GLU C 363 ? 1.9140 2.0931 1.9268 0.0443 0.0455 -0.0290 341 GLU F CB 5704 C CG . GLU C 363 ? 2.0504 2.2284 2.0615 0.0455 0.0467 -0.0278 341 GLU F CG 5705 C CD . GLU C 363 ? 2.3113 2.4977 2.3196 0.0520 0.0458 -0.0276 341 GLU F CD 5706 O OE1 . GLU C 363 ? 2.2399 2.4205 2.2423 0.0560 0.0468 -0.0224 341 GLU F OE1 5707 O OE2 . GLU C 363 ? 2.2363 2.4360 2.2490 0.0537 0.0453 -0.0332 341 GLU F OE2 5708 N N . ALA C 364 ? 1.9020 2.0595 1.9060 0.0386 0.0463 -0.0205 342 ALA F N 5709 C CA . ALA C 364 ? 1.9011 2.0513 1.9012 0.0364 0.0487 -0.0173 342 ALA F CA 5710 C C . ALA C 364 ? 1.9525 2.1027 1.9571 0.0343 0.0548 -0.0178 342 ALA F C 5711 O O . ALA C 364 ? 1.9487 2.0954 1.9491 0.0356 0.0581 -0.0143 342 ALA F O 5712 C CB . ALA C 364 ? 1.9091 2.0558 1.9060 0.0353 0.0471 -0.0153 342 ALA F CB 5713 N N . GLU C 365 ? 1.9096 2.0652 1.9238 0.0322 0.0574 -0.0226 343 GLU F N 5714 C CA . GLU C 365 ? 1.9104 2.0647 1.9322 0.0303 0.0660 -0.0239 343 GLU F CA 5715 C C . GLU C 365 ? 1.9603 2.1222 1.9930 0.0289 0.0675 -0.0313 343 GLU F C 5716 O O . GLU C 365 ? 1.9517 2.1236 1.9887 0.0285 0.0630 -0.0374 343 GLU F O 5717 C CB . GLU C 365 ? 1.9284 2.0800 1.9541 0.0271 0.0719 -0.0237 343 GLU F CB 5718 C CG . GLU C 365 ? 2.0643 2.2102 2.0954 0.0272 0.0845 -0.0214 343 GLU F CG 5719 C CD . GLU C 365 ? 2.3146 2.4567 2.3497 0.0243 0.0927 -0.0204 343 GLU F CD 5720 O OE1 . GLU C 365 ? 2.2399 2.3757 2.2654 0.0274 0.0966 -0.0122 343 GLU F OE1 5721 O OE2 . GLU C 365 ? 2.2330 2.3801 2.2812 0.0191 0.0956 -0.0285 343 GLU F OE2 5722 N N . ILE C 366 ? 1.9212 2.0799 1.9584 0.0295 0.0742 -0.0308 344 ILE F N 5723 C CA . ILE C 366 ? 1.9196 2.0843 1.9681 0.0280 0.0772 -0.0382 344 ILE F CA 5724 C C . ILE C 366 ? 1.9737 2.1327 2.0340 0.0263 0.0906 -0.0396 344 ILE F C 5725 O O . ILE C 366 ? 1.9717 2.1212 2.0273 0.0294 0.0974 -0.0316 344 ILE F O 5726 C CB . ILE C 366 ? 1.9586 2.1247 2.0013 0.0312 0.0718 -0.0365 344 ILE F CB 5727 C CG1 . ILE C 366 ? 1.9670 2.1237 2.0026 0.0351 0.0744 -0.0282 344 ILE F CG1 5728 C CG2 . ILE C 366 ? 1.9647 2.1371 1.9992 0.0334 0.0621 -0.0363 344 ILE F CG2 5729 C CD1 . ILE C 366 ? 2.0638 2.2175 2.1072 0.0362 0.0820 -0.0289 344 ILE F CD1 5730 N N . GLU C 367 ? 1.9315 2.0975 2.0076 0.0224 0.0958 -0.0503 345 GLU F N 5731 C CA . GLU C 367 ? 1.9351 2.0949 2.0263 0.0206 0.1114 -0.0531 345 GLU F CA 5732 C C . GLU C 367 ? 1.9873 2.1415 2.0786 0.0246 0.1147 -0.0498 345 GLU F C 5733 O O . GLU C 367 ? 1.9789 2.1407 2.0726 0.0237 0.1089 -0.0559 345 GLU F O 5734 C CB . GLU C 367 ? 1.9513 2.1227 2.0630 0.0137 0.1169 -0.0689 345 GLU F CB 5735 C CG . GLU C 367 ? 2.0898 2.2527 2.2191 0.0107 0.1364 -0.0720 345 GLU F CG 5736 C CD . GLU C 367 ? 2.3401 2.5165 2.4937 0.0028 0.1433 -0.0908 345 GLU F CD 5737 O OE1 . GLU C 367 ? 2.2647 2.4450 2.4249 -0.0015 0.1465 -0.0954 345 GLU F OE1 5738 O OE2 . GLU C 367 ? 2.2614 2.4458 2.4279 0.0009 0.1456 -0.1018 345 GLU F OE2 5739 N N . VAL C 368 ? 1.9502 2.0920 2.0373 0.0303 0.1240 -0.0394 346 VAL F N 5740 C CA . VAL C 368 ? 1.9517 2.0872 2.0381 0.0362 0.1284 -0.0342 346 VAL F CA 5741 C C . VAL C 368 ? 2.0075 2.1376 2.1145 0.0347 0.1458 -0.0403 346 VAL F C 5742 O O . VAL C 368 ? 2.0059 2.1323 2.1246 0.0323 0.1592 -0.0429 346 VAL F O 5743 C CB . VAL C 368 ? 2.0039 2.1334 2.0742 0.0456 0.1283 -0.0204 346 VAL F CB 5744 C CG1 . VAL C 368 ? 2.0103 2.1302 2.0858 0.0539 0.1458 -0.0130 346 VAL F CG1 5745 C CG2 . VAL C 368 ? 1.9968 2.1307 2.0537 0.0483 0.1140 -0.0172 346 VAL F CG2 5746 N N . GLU C 369 ? 1.9655 2.0951 2.0782 0.0357 0.1463 -0.0431 347 GLU F N 5747 C CA . GLU C 369 ? 1.9696 2.0938 2.1038 0.0341 0.1632 -0.0503 347 GLU F CA 5748 C C . GLU C 369 ? 2.0258 2.1368 2.1587 0.0441 0.1736 -0.0393 347 GLU F C 5749 O O . GLU C 369 ? 2.0285 2.1286 2.1689 0.0498 0.1923 -0.0335 347 GLU F O 5750 C CB . GLU C 369 ? 1.9822 2.1191 2.1293 0.0259 0.1576 -0.0668 347 GLU F CB 5751 C CG . GLU C 369 ? 2.1100 2.2614 2.2678 0.0172 0.1555 -0.0811 347 GLU F CG 5752 C CD . GLU C 369 ? 2.3629 2.5131 2.5469 0.0114 0.1751 -0.0930 347 GLU F CD 5753 O OE1 . GLU C 369 ? 2.2949 2.4294 2.4895 0.0147 0.1939 -0.0884 347 GLU F OE1 5754 O OE2 . GLU C 369 ? 2.2768 2.4423 2.4716 0.0040 0.1727 -0.1073 347 GLU F OE2 5755 N N . GLY C 370 ? 1.9802 2.0928 2.1037 0.0472 0.1626 -0.0361 348 GLY F N 5756 C CA . GLY C 370 ? 1.9839 2.0863 2.1052 0.0574 0.1698 -0.0260 348 GLY F CA 5757 C C . GLY C 370 ? 2.0279 2.1346 2.1354 0.0592 0.1532 -0.0227 348 GLY F C 5758 O O . GLY C 370 ? 2.0185 2.1298 2.1084 0.0626 0.1411 -0.0155 348 GLY F O 5759 N N . ASN C 371 ? 1.9844 2.0901 2.1010 0.0566 0.1536 -0.0288 349 ASN F N 5760 C CA . ASN C 371 ? 1.9768 2.0857 2.0819 0.0576 0.1394 -0.0260 349 ASN F CA 5761 C C . ASN C 371 ? 2.0180 2.1405 2.1206 0.0480 0.1253 -0.0367 349 ASN F C 5762 O O . ASN C 371 ? 2.0099 2.1359 2.1149 0.0453 0.1209 -0.0419 349 ASN F O 5763 C CB . ASN C 371 ? 1.9925 2.0914 2.1063 0.0627 0.1484 -0.0236 349 ASN F CB 5764 C CG . ASN C 371 ? 2.2901 2.3864 2.4274 0.0565 0.1618 -0.0365 349 ASN F CG 5765 O OD1 . ASN C 371 ? 2.2257 2.3165 2.3783 0.0560 0.1784 -0.0401 349 ASN F OD1 5766 N ND2 . ASN C 371 ? 2.1847 2.2852 2.3261 0.0517 0.1559 -0.0443 349 ASN F ND2 5767 N N . SER C 372 ? 1.9713 2.1023 2.0682 0.0441 0.1187 -0.0393 350 SER F N 5768 C CA . SER C 372 ? 1.9632 2.1088 2.0568 0.0378 0.1068 -0.0480 350 SER F CA 5769 C C . SER C 372 ? 2.0081 2.1569 2.0818 0.0402 0.0932 -0.0399 350 SER F C 5770 O O . SER C 372 ? 2.0028 2.1442 2.0666 0.0457 0.0918 -0.0295 350 SER F O 5771 C CB . SER C 372 ? 2.0081 2.1617 2.1134 0.0321 0.1114 -0.0586 350 SER F CB 5772 O OG . SER C 372 ? 2.1138 2.2848 2.2187 0.0280 0.1019 -0.0687 350 SER F OG 5773 N N . GLN C 373 ? 1.9615 2.1227 2.0307 0.0370 0.0843 -0.0454 351 GLN F N 5774 C CA . GLN C 373 ? 1.9563 2.1204 2.0096 0.0390 0.0741 -0.0392 351 GLN F CA 5775 C C . GLN C 373 ? 2.0027 2.1754 2.0546 0.0371 0.0707 -0.0432 351 GLN F C 5776 O O . GLN C 373 ? 1.9960 2.1787 2.0583 0.0340 0.0729 -0.0532 351 GLN F O 5777 C CB . GLN C 373 ? 1.9719 2.1407 2.0179 0.0402 0.0676 -0.0383 351 GLN F CB 5778 C CG . GLN C 373 ? 2.1741 2.3574 2.2270 0.0382 0.0668 -0.0493 351 GLN F CG 5779 C CD . GLN C 373 ? 2.4254 2.6167 2.4663 0.0412 0.0599 -0.0467 351 GLN F CD 5780 O OE1 . GLN C 373 ? 2.3692 2.5722 2.4048 0.0434 0.0562 -0.0485 351 GLN F OE1 5781 N NE2 . GLN C 373 ? 2.3298 2.5150 2.3662 0.0425 0.0590 -0.0417 351 GLN F NE2 5782 N N . LEU C 374 ? 1.9584 2.1284 1.9988 0.0392 0.0657 -0.0362 352 LEU F N 5783 C CA . LEU C 374 ? 1.9547 2.1308 1.9921 0.0386 0.0623 -0.0380 352 LEU F CA 5784 C C . LEU C 374 ? 2.0014 2.1825 2.0282 0.0418 0.0559 -0.0350 352 LEU F C 5785 O O . LEU C 374 ? 1.9960 2.1718 2.0159 0.0437 0.0544 -0.0293 352 LEU F O 5786 C CB . LEU C 374 ? 1.9565 2.1243 1.9918 0.0384 0.0646 -0.0332 352 LEU F CB 5787 C CG . LEU C 374 ? 2.0173 2.1773 2.0428 0.0416 0.0629 -0.0249 352 LEU F CG 5788 C CD1 . LEU C 374 ? 2.0181 2.1792 2.0357 0.0421 0.0580 -0.0230 352 LEU F CD1 5789 C CD2 . LEU C 374 ? 2.0518 2.2052 2.0791 0.0435 0.0694 -0.0211 352 LEU F CD2 5790 N N . GLN C 375 ? 1.9564 2.1480 1.9828 0.0432 0.0534 -0.0389 353 GLN F N 5791 C CA . GLN C 375 ? 1.9543 2.1506 1.9713 0.0484 0.0503 -0.0351 353 GLN F CA 5792 C C . GLN C 375 ? 2.0008 2.1941 2.0142 0.0496 0.0493 -0.0322 353 GLN F C 5793 O O . GLN C 375 ? 1.9935 2.1918 2.0120 0.0483 0.0489 -0.0367 353 GLN F O 5794 C CB . GLN C 375 ? 1.9717 2.1863 1.9900 0.0526 0.0491 -0.0414 353 GLN F CB 5795 C CG . GLN C 375 ? 2.1754 2.3934 2.1828 0.0601 0.0489 -0.0351 353 GLN F CG 5796 C CD . GLN C 375 ? 2.4287 2.6687 2.4357 0.0671 0.0482 -0.0410 353 GLN F CD 5797 O OE1 . GLN C 375 ? 2.3740 2.6232 2.3839 0.0666 0.0480 -0.0464 353 GLN F OE1 5798 N NE2 . GLN C 375 ? 2.3342 2.5845 2.3371 0.0749 0.0483 -0.0400 353 GLN F NE2 5799 N N . ILE C 376 ? 1.9576 2.1423 1.9634 0.0518 0.0496 -0.0253 354 ILE F N 5800 C CA . ILE C 376 ? 1.9550 2.1349 1.9578 0.0531 0.0495 -0.0225 354 ILE F CA 5801 C C . ILE C 376 ? 2.0040 2.1857 2.0012 0.0602 0.0518 -0.0184 354 ILE F C 5802 O O . ILE C 376 ? 2.0001 2.1822 1.9940 0.0631 0.0543 -0.0157 354 ILE F O 5803 C CB . ILE C 376 ? 1.9945 2.1625 1.9966 0.0490 0.0502 -0.0199 354 ILE F CB 5804 C CG1 . ILE C 376 ? 2.0013 2.1640 2.0012 0.0487 0.0517 -0.0173 354 ILE F CG1 5805 C CG2 . ILE C 376 ? 2.0021 2.1690 2.0088 0.0449 0.0502 -0.0223 354 ILE F CG2 5806 C CD1 . ILE C 376 ? 2.0970 2.2532 2.0954 0.0481 0.0533 -0.0161 354 ILE F CD1 5807 N N . SER C 377 ? 1.9598 2.1417 1.9559 0.0636 0.0521 -0.0171 355 SER F N 5808 C CA . SER C 377 ? 1.9614 2.1430 1.9531 0.0720 0.0569 -0.0121 355 SER F CA 5809 C C . SER C 377 ? 2.0098 2.1766 2.0018 0.0695 0.0603 -0.0093 355 SER F C 5810 O O . SER C 377 ? 2.0013 2.1636 1.9951 0.0647 0.0571 -0.0111 355 SER F O 5811 C CB . SER C 377 ? 2.0065 2.2009 1.9977 0.0797 0.0555 -0.0132 355 SER F CB 5812 O OG . SER C 377 ? 2.1150 2.3275 2.1075 0.0826 0.0529 -0.0185 355 SER F OG 5813 N N . PHE C 378 ? 1.9697 2.1294 1.9608 0.0723 0.0676 -0.0056 356 PHE F N 5814 C CA . PHE C 378 ? 1.9687 2.1162 1.9631 0.0693 0.0724 -0.0056 356 PHE F CA 5815 C C . PHE C 378 ? 2.0216 2.1630 2.0167 0.0773 0.0836 -0.0009 356 PHE F C 5816 O O . PHE C 378 ? 2.0199 2.1657 2.0116 0.0857 0.0894 0.0039 356 PHE F O 5817 C CB . PHE C 378 ? 1.9901 2.1334 1.9874 0.0616 0.0720 -0.0091 356 PHE F CB 5818 C CG . PHE C 378 ? 2.0133 2.1562 2.0105 0.0630 0.0773 -0.0071 356 PHE F CG 5819 C CD1 . PHE C 378 ? 2.0506 2.2001 2.0444 0.0629 0.0731 -0.0063 356 PHE F CD1 5820 C CD2 . PHE C 378 ? 2.0461 2.1815 2.0477 0.0638 0.0876 -0.0067 356 PHE F CD2 5821 C CE1 . PHE C 378 ? 2.0649 2.2135 2.0576 0.0640 0.0778 -0.0038 356 PHE F CE1 5822 C CE2 . PHE C 378 ? 2.0851 2.2194 2.0867 0.0646 0.0935 -0.0045 356 PHE F CE2 5823 C CZ . PHE C 378 ? 2.0583 2.1992 2.0544 0.0649 0.0879 -0.0025 356 PHE F CZ 5824 N N . SER C 379 ? 1.9784 2.1099 1.9783 0.0754 0.0879 -0.0024 357 SER F N 5825 C CA . SER C 379 ? 1.9833 2.1058 1.9869 0.0826 0.1012 0.0013 357 SER F CA 5826 C C . SER C 379 ? 2.0317 2.1444 2.0449 0.0755 0.1091 -0.0044 357 SER F C 5827 O O . SER C 379 ? 2.0207 2.1332 2.0374 0.0667 0.1031 -0.0117 357 SER F O 5828 C CB . SER C 379 ? 2.0296 2.1497 2.0325 0.0878 0.1007 0.0036 357 SER F CB 5829 O OG . SER C 379 ? 2.1507 2.2621 2.1571 0.0976 0.1155 0.0089 357 SER F OG 5830 N N . THR C 380 ? 1.9945 2.1009 2.0124 0.0799 0.1237 -0.0018 358 THR F N 5831 C CA . THR C 380 ? 1.9948 2.0932 2.0252 0.0735 0.1345 -0.0089 358 THR F CA 5832 C C . THR C 380 ? 2.0525 2.1399 2.0899 0.0821 0.1555 -0.0039 358 THR F C 5833 O O . THR C 380 ? 2.0522 2.1404 2.0819 0.0942 0.1612 0.0068 358 THR F O 5834 C CB . THR C 380 ? 2.0948 2.1996 2.1263 0.0651 0.1289 -0.0144 358 THR F CB 5835 O OG1 . THR C 380 ? 2.0923 2.1934 2.1378 0.0581 0.1376 -0.0246 358 THR F OG1 5836 C CG2 . THR C 380 ? 2.0805 2.1877 2.1054 0.0702 0.1322 -0.0068 358 THR F CG2 5837 N N . ALA C 381 ? 2.0118 2.0903 2.0645 0.0767 0.1682 -0.0121 359 ALA F N 5838 C CA . ALA C 381 ? 2.0212 2.0867 2.0846 0.0836 0.1921 -0.0089 359 ALA F CA 5839 C C . ALA C 381 ? 2.0710 2.1352 2.1440 0.0777 0.2031 -0.0140 359 ALA F C 5840 O O . ALA C 381 ? 2.0766 2.1305 2.1568 0.0843 0.2245 -0.0091 359 ALA F O 5841 C CB . ALA C 381 ? 2.0343 2.0896 2.1115 0.0817 0.2015 -0.0161 359 ALA F CB 5842 N N . LEU C 382 ? 2.0164 2.0912 2.0894 0.0664 0.1892 -0.0230 360 LEU F N 5843 C CA . LEU C 382 ? 2.0134 2.0901 2.0954 0.0595 0.1957 -0.0295 360 LEU F CA 5844 C C . LEU C 382 ? 2.0606 2.1391 2.1301 0.0652 0.1955 -0.0177 360 LEU F C 5845 O O . LEU C 382 ? 2.0494 2.1354 2.1025 0.0693 0.1805 -0.0099 360 LEU F O 5846 C CB . LEU C 382 ? 2.0033 2.0933 2.0893 0.0476 0.1801 -0.0436 360 LEU F CB 5847 C CG . LEU C 382 ? 2.0629 2.1549 2.1681 0.0395 0.1862 -0.0609 360 LEU F CG 5848 C CD1 . LEU C 382 ? 2.0620 2.1545 2.1634 0.0402 0.1772 -0.0625 360 LEU F CD1 5849 C CD2 . LEU C 382 ? 2.0864 2.1945 2.1983 0.0303 0.1777 -0.0749 360 LEU F CD2 5850 N N . ALA C 383 ? 2.0221 2.0941 2.1004 0.0651 0.2131 -0.0173 361 ALA F N 5851 C CA . ALA C 383 ? 2.0208 2.0939 2.0882 0.0701 0.2155 -0.0066 361 ALA F CA 5852 C C . ALA C 383 ? 2.0544 2.1394 2.1168 0.0608 0.1966 -0.0120 361 ALA F C 5853 O O . ALA C 383 ? 2.0456 2.1357 2.0928 0.0647 0.1872 -0.0030 361 ALA F O 5854 C CB . ALA C 383 ? 2.0420 2.1034 2.1222 0.0721 0.2421 -0.0051 361 ALA F CB 5855 N N . SER C 384 ? 2.0022 2.0928 2.0777 0.0495 0.1916 -0.0272 362 SER F N 5856 C CA . SER C 384 ? 1.9880 2.0910 2.0606 0.0421 0.1748 -0.0334 362 SER F CA 5857 C C . SER C 384 ? 2.0242 2.1366 2.0948 0.0389 0.1581 -0.0407 362 SER F C 5858 O O . SER C 384 ? 2.0163 2.1337 2.1004 0.0331 0.1598 -0.0543 362 SER F O 5859 C CB . SER C 384 ? 2.0338 2.1396 2.1235 0.0340 0.1843 -0.0454 362 SER F CB 5860 O OG . SER C 384 ? 2.1546 2.2502 2.2465 0.0370 0.2018 -0.0379 362 SER F OG 5861 N N . ALA C 385 ? 1.9737 2.0891 2.0282 0.0431 0.1435 -0.0320 363 ALA F N 5862 C CA . ALA C 385 ? 1.9632 2.0860 2.0137 0.0414 0.1291 -0.0361 363 ALA F CA 5863 C C . ALA C 385 ? 1.9994 2.1342 2.0462 0.0376 0.1146 -0.0402 363 ALA F C 5864 O O . ALA C 385 ? 1.9905 2.1270 2.0266 0.0398 0.1064 -0.0327 363 ALA F O 5865 C CB . ALA C 385 ? 1.9734 2.0928 2.0115 0.0482 0.1240 -0.0258 363 ALA F CB 5866 N N . GLU C 386 ? 1.9496 2.0942 2.0061 0.0329 0.1126 -0.0529 364 GLU F N 5867 C CA . GLU C 386 ? 1.9388 2.0975 1.9928 0.0318 0.1008 -0.0576 364 GLU F CA 5868 C C . GLU C 386 ? 1.9802 2.1441 2.0293 0.0331 0.0923 -0.0592 364 GLU F C 5869 O O . GLU C 386 ? 1.9749 2.1423 2.0320 0.0310 0.0959 -0.0685 364 GLU F O 5870 C CB . GLU C 386 ? 1.9550 2.1258 2.0234 0.0276 0.1053 -0.0717 364 GLU F CB 5871 C CG . GLU C 386 ? 2.0883 2.2582 2.1585 0.0267 0.1087 -0.0693 364 GLU F CG 5872 C CD . GLU C 386 ? 2.3494 2.5079 2.4301 0.0240 0.1257 -0.0700 364 GLU F CD 5873 O OE1 . GLU C 386 ? 2.2743 2.4399 2.3713 0.0191 0.1343 -0.0829 364 GLU F OE1 5874 O OE2 . GLU C 386 ? 2.2785 2.4223 2.3518 0.0274 0.1316 -0.0581 364 GLU F OE2 5875 N N . PHE C 387 ? 1.9312 2.0948 1.9678 0.0364 0.0825 -0.0504 365 PHE F N 5876 C CA . PHE C 387 ? 1.9252 2.0920 1.9564 0.0378 0.0759 -0.0501 365 PHE F CA 5877 C C . PHE C 387 ? 1.9654 2.1392 1.9885 0.0411 0.0671 -0.0460 365 PHE F C 5878 O O . PHE C 387 ? 1.9586 2.1305 1.9778 0.0426 0.0648 -0.0401 365 PHE F O 5879 C CB . PHE C 387 ? 1.9509 2.1061 1.9779 0.0388 0.0776 -0.0435 365 PHE F CB 5880 C CG . PHE C 387 ? 1.9717 2.1201 1.9907 0.0417 0.0759 -0.0330 365 PHE F CG 5881 C CD1 . PHE C 387 ? 2.0147 2.1572 2.0346 0.0431 0.0829 -0.0290 365 PHE F CD1 5882 C CD2 . PHE C 387 ? 1.9966 2.1458 2.0080 0.0433 0.0686 -0.0280 365 PHE F CD2 5883 C CE1 . PHE C 387 ? 2.0272 2.1674 2.0393 0.0470 0.0812 -0.0206 365 PHE F CE1 5884 C CE2 . PHE C 387 ? 2.0330 2.1796 2.0391 0.0459 0.0673 -0.0212 365 PHE F CE2 5885 C CZ . PHE C 387 ? 2.0122 2.1557 2.0182 0.0481 0.0730 -0.0178 365 PHE F CZ 5886 N N . ARG C 388 ? 1.9169 2.0985 1.9376 0.0429 0.0634 -0.0489 366 ARG F N 5887 C CA . ARG C 388 ? 1.9111 2.0989 1.9247 0.0477 0.0582 -0.0445 366 ARG F CA 5888 C C . ARG C 388 ? 1.9560 2.1352 1.9631 0.0478 0.0563 -0.0374 366 ARG F C 5889 O O . ARG C 388 ? 1.9507 2.1266 1.9578 0.0458 0.0570 -0.0391 366 ARG F O 5890 C CB . ARG C 388 ? 1.9140 2.1197 1.9291 0.0516 0.0573 -0.0527 366 ARG F CB 5891 C CG . ARG C 388 ? 2.0437 2.2634 2.0661 0.0530 0.0582 -0.0611 366 ARG F CG 5892 C CD . ARG C 388 ? 2.1648 2.4065 2.1913 0.0565 0.0581 -0.0732 366 ARG F CD 5893 N NE . ARG C 388 ? 2.2705 2.5116 2.3056 0.0501 0.0621 -0.0835 366 ARG F NE 5894 C CZ . ARG C 388 ? 2.4471 2.7045 2.4853 0.0516 0.0623 -0.0945 366 ARG F CZ 5895 N NH1 . ARG C 388 ? 2.2850 2.5625 2.3170 0.0605 0.0587 -0.0961 366 ARG F NH1 5896 N NH2 . ARG C 388 ? 2.2803 2.5346 2.3280 0.0452 0.0671 -0.1040 366 ARG F NH2 5897 N N . VAL C 389 ? 1.9097 2.0852 1.9124 0.0500 0.0546 -0.0302 367 VAL F N 5898 C CA . VAL C 389 ? 1.9067 2.0756 1.9057 0.0496 0.0539 -0.0249 367 VAL F CA 5899 C C . VAL C 389 ? 1.9530 2.1268 1.9489 0.0546 0.0549 -0.0220 367 VAL F C 5900 O O . VAL C 389 ? 1.9477 2.1244 1.9439 0.0588 0.0560 -0.0196 367 VAL F O 5901 C CB . VAL C 389 ? 1.9566 2.1179 1.9561 0.0477 0.0536 -0.0208 367 VAL F CB 5902 C CG1 . VAL C 389 ? 1.9543 2.1122 1.9528 0.0469 0.0534 -0.0181 367 VAL F CG1 5903 C CG2 . VAL C 389 ? 1.9553 2.1126 1.9563 0.0456 0.0549 -0.0218 367 VAL F CG2 5904 N N . GLN C 390 ? 1.9080 2.0823 1.9009 0.0552 0.0556 -0.0214 368 GLN F N 5905 C CA . GLN C 390 ? 1.9071 2.0852 1.8963 0.0611 0.0592 -0.0173 368 GLN F CA 5906 C C . GLN C 390 ? 1.9537 2.1220 1.9442 0.0589 0.0622 -0.0123 368 GLN F C 5907 O O . GLN C 390 ? 1.9472 2.1108 1.9370 0.0548 0.0613 -0.0124 368 GLN F O 5908 C CB . GLN C 390 ? 1.9249 2.1125 1.9096 0.0644 0.0594 -0.0200 368 GLN F CB 5909 C CG . GLN C 390 ? 2.1284 2.3235 2.1078 0.0739 0.0650 -0.0150 368 GLN F CG 5910 C CD . GLN C 390 ? 2.3797 2.5868 2.3531 0.0780 0.0650 -0.0181 368 GLN F CD 5911 O OE1 . GLN C 390 ? 2.3252 2.5497 2.2974 0.0845 0.0644 -0.0235 368 GLN F OE1 5912 N NE2 . GLN C 390 ? 2.2828 2.4828 2.2529 0.0743 0.0655 -0.0157 368 GLN F NE2 5913 N N . VAL C 391 ? 1.9100 2.0755 1.9037 0.0615 0.0663 -0.0089 369 VAL F N 5914 C CA . VAL C 391 ? 1.9087 2.0665 1.9072 0.0593 0.0716 -0.0064 369 VAL F CA 5915 C C . VAL C 391 ? 1.9596 2.1188 1.9561 0.0672 0.0808 -0.0010 369 VAL F C 5916 O O . VAL C 391 ? 1.9561 2.1189 1.9520 0.0751 0.0849 0.0021 369 VAL F O 5917 C CB . VAL C 391 ? 1.9581 2.1119 1.9634 0.0569 0.0719 -0.0076 369 VAL F CB 5918 C CG1 . VAL C 391 ? 1.9574 2.1061 1.9710 0.0536 0.0782 -0.0085 369 VAL F CG1 5919 C CG2 . VAL C 391 ? 1.9521 2.1068 1.9569 0.0520 0.0641 -0.0113 369 VAL F CG2 5920 N N . CYS C 392 ? 1.9165 2.0734 1.9111 0.0662 0.0845 0.0007 370 CYS F N 5921 C CA . CYS C 392 ? 1.9193 2.0775 1.9102 0.0744 0.0949 0.0070 370 CYS F CA 5922 C C . CYS C 392 ? 1.9655 2.1374 1.9467 0.0836 0.0925 0.0078 370 CYS F C 5923 O O . CYS C 392 ? 1.9560 2.1333 1.9324 0.0803 0.0848 0.0034 370 CYS F O 5924 C CB . CYS C 392 ? 1.9292 2.0811 1.9278 0.0792 0.1077 0.0115 370 CYS F CB 5925 S SG . CYS C 392 ? 1.9822 2.1228 1.9905 0.0736 0.1197 0.0122 370 CYS F SG 5926 N N . SER C 393 ? 1.9244 2.1033 1.9037 0.0955 0.0991 0.0122 371 SER F N 5927 C CA . SER C 393 ? 1.9217 2.1189 1.8927 0.1062 0.0972 0.0114 371 SER F CA 5928 C C . SER C 393 ? 1.9644 2.1706 1.9377 0.1091 0.0912 0.0071 371 SER F C 5929 O O . SER C 393 ? 1.9590 2.1839 1.9274 0.1188 0.0898 0.0046 371 SER F O 5930 C CB . SER C 393 ? 1.9756 2.1793 1.9403 0.1215 0.1105 0.0204 371 SER F CB 5931 O OG . SER C 393 ? 2.0903 2.2891 2.0508 0.1192 0.1153 0.0236 371 SER F OG 5932 N N . THR C 394 ? 1.9155 2.1105 1.8964 0.1009 0.0875 0.0055 372 THR F N 5933 C CA . THR C 394 ? 1.9091 2.1100 1.8925 0.1023 0.0822 0.0022 372 THR F CA 5934 C C . THR C 394 ? 1.9474 2.1453 1.9341 0.0898 0.0721 -0.0058 372 THR F C 5935 O O . THR C 394 ? 1.9399 2.1257 1.9292 0.0802 0.0703 -0.0064 372 THR F O 5936 C CB . THR C 394 ? 2.0166 2.2087 2.0049 0.1069 0.0887 0.0085 372 THR F CB 5937 O OG1 . THR C 394 ? 2.0198 2.2102 2.0067 0.1176 0.1016 0.0168 372 THR F OG1 5938 C CG2 . THR C 394 ? 1.9976 2.1988 1.9863 0.1130 0.0851 0.0074 372 THR F CG2 5939 N N . GLN C 395 ? 1.8982 2.1084 1.8854 0.0911 0.0670 -0.0121 373 GLN F N 5940 C CA . GLN C 395 ? 1.8901 2.0984 1.8814 0.0812 0.0606 -0.0196 373 GLN F CA 5941 C C . GLN C 395 ? 1.9338 2.1359 1.9292 0.0785 0.0588 -0.0185 373 GLN F C 5942 O O . GLN C 395 ? 1.9290 2.1358 1.9243 0.0860 0.0604 -0.0154 373 GLN F O 5943 C CB . GLN C 395 ? 1.9058 2.1326 1.8978 0.0836 0.0582 -0.0294 373 GLN F CB 5944 C CG . GLN C 395 ? 2.1070 2.3305 2.1043 0.0732 0.0553 -0.0378 373 GLN F CG 5945 C CD . GLN C 395 ? 2.3635 2.5815 2.3582 0.0691 0.0554 -0.0383 373 GLN F CD 5946 O OE1 . GLN C 395 ? 2.3108 2.5143 2.3071 0.0616 0.0548 -0.0366 373 GLN F OE1 5947 N NE2 . GLN C 395 ? 2.2656 2.4964 2.2558 0.0751 0.0564 -0.0403 373 GLN F NE2 5948 N N . VAL C 396 ? 1.8861 2.0781 1.8843 0.0690 0.0561 -0.0206 374 VAL F N 5949 C CA . VAL C 396 ? 1.8813 2.0672 1.8821 0.0658 0.0547 -0.0194 374 VAL F CA 5950 C C . VAL C 396 ? 1.9256 2.1105 1.9298 0.0590 0.0535 -0.0252 374 VAL F C 5951 O O . VAL C 396 ? 1.9201 2.1007 1.9245 0.0547 0.0540 -0.0271 374 VAL F O 5952 C CB . VAL C 396 ? 1.9319 2.1054 1.9327 0.0639 0.0559 -0.0132 374 VAL F CB 5953 C CG1 . VAL C 396 ? 1.9296 2.0960 1.9304 0.0577 0.0556 -0.0137 374 VAL F CG1 5954 C CG2 . VAL C 396 ? 1.9285 2.0981 1.9306 0.0626 0.0546 -0.0114 374 VAL F CG2 5955 N N . HIS C 397 ? 1.8790 2.0680 1.8864 0.0588 0.0533 -0.0279 375 HIS F N 5956 C CA . HIS C 397 ? 1.8755 2.0629 1.8881 0.0530 0.0554 -0.0334 375 HIS F CA 5957 C C . HIS C 397 ? 1.9232 2.0973 1.9338 0.0491 0.0568 -0.0275 375 HIS F C 5958 O O . HIS C 397 ? 1.9166 2.0867 1.9242 0.0505 0.0552 -0.0219 375 HIS F O 5959 C CB . HIS C 397 ? 1.8834 2.0829 1.9019 0.0543 0.0560 -0.0403 375 HIS F CB 5960 C CG . HIS C 397 ? 1.9268 2.1254 1.9537 0.0481 0.0612 -0.0477 375 HIS F CG 5961 N ND1 . HIS C 397 ? 1.9494 2.1553 1.9835 0.0456 0.0645 -0.0580 375 HIS F ND1 5962 C CD2 . HIS C 397 ? 1.9495 2.1402 1.9793 0.0443 0.0652 -0.0460 375 HIS F CD2 5963 C CE1 . HIS C 397 ? 1.9435 2.1448 1.9863 0.0403 0.0716 -0.0627 375 HIS F CE1 5964 N NE2 . HIS C 397 ? 1.9483 2.1403 1.9881 0.0396 0.0726 -0.0551 375 HIS F NE2 5965 N N . CYS C 398 ? 1.8807 2.0488 1.8930 0.0455 0.0606 -0.0288 376 CYS F N 5966 C CA . CYS C 398 ? 1.8799 2.0386 1.8897 0.0443 0.0636 -0.0234 376 CYS F CA 5967 C C . CYS C 398 ? 1.9334 2.0894 1.9488 0.0421 0.0714 -0.0262 376 CYS F C 5968 O O . CYS C 398 ? 1.9286 2.0860 1.9509 0.0402 0.0761 -0.0329 376 CYS F O 5969 C CB . CYS C 398 ? 1.8838 2.0382 1.8901 0.0449 0.0631 -0.0207 376 CYS F CB 5970 S SG . CYS C 398 ? 1.9295 2.0856 1.9318 0.0464 0.0570 -0.0178 376 CYS F SG 5971 N N . ALA C 399 ? 1.8935 2.0453 1.9067 0.0424 0.0741 -0.0213 377 ALA F N 5972 C CA . ALA C 399 ? 1.8962 2.0436 1.9147 0.0408 0.0842 -0.0222 377 ALA F CA 5973 C C . ALA C 399 ? 1.9522 2.0919 1.9646 0.0445 0.0901 -0.0141 377 ALA F C 5974 O O . ALA C 399 ? 1.9458 2.0856 1.9497 0.0474 0.0859 -0.0074 377 ALA F O 5975 C CB . ALA C 399 ? 1.9037 2.0533 1.9236 0.0396 0.0839 -0.0222 377 ALA F CB 5976 N N . ALA C 400 ? 1.9159 2.0504 1.9332 0.0455 0.1005 -0.0150 378 ALA F N 5977 C CA . ALA C 400 ? 1.9205 2.0498 1.9318 0.0521 0.1078 -0.0067 378 ALA F CA 5978 C C . ALA C 400 ? 1.9789 2.1002 1.9964 0.0542 0.1252 -0.0049 378 ALA F C 5979 O O . ALA C 400 ? 1.9751 2.0930 2.0049 0.0504 0.1333 -0.0125 378 ALA F O 5980 C CB . ALA C 400 ? 1.9297 2.0600 1.9387 0.0550 0.1041 -0.0066 378 ALA F CB 5981 N N . GLU C 401 ? 1.9424 2.0613 1.9520 0.0608 0.1321 0.0047 379 GLU F N 5982 C CA . GLU C 401 ? 1.9510 2.0614 1.9644 0.0656 0.1516 0.0096 379 GLU F CA 5983 C C . GLU C 401 ? 2.0075 2.1180 2.0129 0.0776 0.1573 0.0181 379 GLU F C 5984 O O . GLU C 401 ? 2.0025 2.1200 1.9951 0.0855 0.1540 0.0261 379 GLU F O 5985 C CB . GLU C 401 ? 1.9703 2.0795 1.9791 0.0660 0.1564 0.0154 379 GLU F CB 5986 C CG . GLU C 401 ? 2.1136 2.2125 2.1287 0.0699 0.1795 0.0199 379 GLU F CG 5987 C CD . GLU C 401 ? 2.3687 2.4661 2.3755 0.0732 0.1862 0.0291 379 GLU F CD 5988 O OE1 . GLU C 401 ? 2.2945 2.3849 2.3115 0.0681 0.1986 0.0267 379 GLU F OE1 5989 O OE2 . GLU C 401 ? 2.2905 2.3948 2.2815 0.0809 0.1796 0.0379 379 GLU F OE2 5990 N N . CYS C 402 ? 1.9692 2.0742 1.9825 0.0794 0.1648 0.0155 380 CYS F N 5991 C CA . CYS C 402 ? 1.9737 2.0794 1.9809 0.0918 0.1702 0.0230 380 CYS F CA 5992 C C . CYS C 402 ? 2.0361 2.1324 2.0458 0.1027 0.1944 0.0316 380 CYS F C 5993 O O . CYS C 402 ? 2.0352 2.1201 2.0588 0.0977 0.2095 0.0275 380 CYS F O 5994 C CB . CYS C 402 ? 1.9739 2.0788 1.9866 0.0888 0.1634 0.0165 380 CYS F CB 5995 S SG . CYS C 402 ? 2.0089 2.1233 2.0197 0.0769 0.1389 0.0071 380 CYS F SG 5996 N N . HIS C 403 ? 1.9993 2.1021 1.9965 0.1184 0.1995 0.0431 381 HIS F N 5997 C CA . HIS C 403 ? 2.0117 2.1075 2.0081 0.1330 0.2242 0.0544 381 HIS F CA 5998 C C . HIS C 403 ? 2.0669 2.1596 2.0650 0.1463 0.2350 0.0594 381 HIS F C 5999 O O . HIS C 403 ? 2.0543 2.1543 2.0498 0.1464 0.2206 0.0558 381 HIS F O 6000 C CB . HIS C 403 ? 2.0251 2.1328 2.0048 0.1444 0.2254 0.0651 381 HIS F CB 6001 C CG . HIS C 403 ? 2.0604 2.1698 2.0380 0.1324 0.2157 0.0614 381 HIS F CG 6002 N ND1 . HIS C 403 ? 2.0716 2.1954 2.0394 0.1280 0.1937 0.0580 381 HIS F ND1 6003 C CD2 . HIS C 403 ? 2.0843 2.1825 2.0698 0.1240 0.2258 0.0602 381 HIS F CD2 6004 C CE1 . HIS C 403 ? 2.0600 2.1802 2.0287 0.1183 0.1909 0.0561 381 HIS F CE1 6005 N NE2 . HIS C 403 ? 2.0714 2.1770 2.0503 0.1155 0.2091 0.0573 381 HIS F NE2 # 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 MET 1 0 ? ? ? A . n A 1 2 SER 2 1 ? ? ? A . n A 1 3 LEU 3 2 ? ? ? A . n A 1 4 ALA 4 3 ? ? ? A . n A 1 5 ILE 5 4 ? ? ? A . n A 1 6 PRO 6 5 5 PRO PRO A . n A 1 7 VAL 7 6 6 VAL VAL A . n A 1 8 MET 8 7 7 MET MET A . n A 1 9 CYS 9 8 8 CYS CYS A . n A 1 10 LEU 10 9 9 LEU LEU A . n A 1 11 LEU 11 10 10 LEU LEU A . n A 1 12 ALA 12 11 11 ALA ALA A . n A 1 13 ASN 13 12 12 ASN ASN A . n A 1 14 THR 14 13 13 THR THR A . n A 1 15 THR 15 14 14 THR THR A . n A 1 16 PHE 16 15 15 PHE PHE A . n A 1 17 PRO 17 16 16 PRO PRO A . n A 1 18 CYS 18 17 17 CYS CYS A . n A 1 19 SER 19 18 18 SER SER A . n A 1 20 GLN 20 19 19 GLN GLN A . n A 1 21 PRO 21 20 20 PRO PRO A . n A 1 22 PRO 22 21 21 PRO PRO A . n A 1 23 CYS 23 22 22 CYS CYS A . n A 1 24 THR 24 23 23 THR THR A . n A 1 25 PRO 25 24 24 PRO PRO A . n A 1 26 CYS 26 25 25 CYS CYS A . n A 1 27 CYS 27 26 26 CYS CYS A . n A 1 28 TYR 28 27 27 TYR TYR A . n A 1 29 GLU 29 28 28 GLU GLU A . n A 1 30 LYS 30 29 29 LYS LYS A . n A 1 31 GLU 31 30 30 GLU GLU A . n A 1 32 PRO 32 31 31 PRO PRO A . n A 1 33 GLU 33 32 32 GLU GLU A . n A 1 34 GLU 34 33 33 GLU GLU A . n A 1 35 THR 35 34 34 THR THR A . n A 1 36 LEU 36 35 35 LEU LEU A . n A 1 37 ARG 37 36 36 ARG ARG A . n A 1 38 MET 38 37 37 MET MET A . n A 1 39 LEU 39 38 38 LEU LEU A . n A 1 40 GLU 40 39 39 GLU GLU A . n A 1 41 ASP 41 40 40 ASP ASP A . n A 1 42 ASN 42 41 41 ASN ASN A . n A 1 43 VAL 43 42 42 VAL VAL A . n A 1 44 MET 44 43 43 MET MET A . n A 1 45 ARG 45 44 44 ARG ARG A . n A 1 46 PRO 46 45 45 PRO PRO A . n A 1 47 GLY 47 46 46 GLY GLY A . n A 1 48 TYR 48 47 47 TYR TYR A . n A 1 49 TYR 49 48 48 TYR TYR A . n A 1 50 GLN 50 49 49 GLN GLN A . n A 1 51 LEU 51 50 50 LEU LEU A . n A 1 52 LEU 52 51 51 LEU LEU A . n A 1 53 GLN 53 52 52 GLN GLN A . n A 1 54 ALA 54 53 53 ALA ALA A . n A 1 55 SER 55 54 54 SER SER A . n A 1 56 LEU 56 55 55 LEU LEU A . n A 1 57 THR 57 56 56 THR THR A . n A 1 58 CYS 58 57 57 CYS CYS A . n A 1 59 SER 59 58 58 SER SER A . n A 1 60 PRO 60 59 59 PRO PRO A . n A 1 61 HIS 61 60 ? ? ? A . n A 1 62 ARG 62 61 ? ? ? A . n A 1 63 GLN 63 62 ? ? ? A . n A 1 64 ARG 64 63 ? ? ? A . n A 1 65 ARG 65 64 ? ? ? A . n B 2 1 SER 1 1 ? ? ? B . n B 2 2 THR 2 2 ? ? ? B . n B 2 3 LYS 3 3 ? ? ? B . n B 2 4 ASP 4 4 ? ? ? B . n B 2 5 ASN 5 5 5 ASN ASN B . n B 2 6 PHE 6 6 6 PHE PHE B . n B 2 7 ASN 7 7 7 ASN ASN B . n B 2 8 VAL 8 8 8 VAL VAL B . n B 2 9 TYR 9 9 9 TYR TYR B . n B 2 10 LYS 10 10 10 LYS LYS B . n B 2 11 ALA 11 11 11 ALA ALA B . n B 2 12 THR 12 12 12 THR THR B . n B 2 13 ARG 13 13 13 ARG ARG B . n B 2 14 PRO 14 14 14 PRO PRO B . n B 2 15 TYR 15 15 15 TYR TYR B . n B 2 16 LEU 16 16 16 LEU LEU B . n B 2 17 ALA 17 17 17 ALA ALA B . n B 2 18 HIS 18 18 18 HIS HIS B . n B 2 19 CYS 19 19 19 CYS CYS B . n B 2 20 PRO 20 20 20 PRO PRO B . n B 2 21 ASP 21 21 21 ASP ASP B . n B 2 22 CYS 22 22 22 CYS CYS B . n B 2 23 GLY 23 23 23 GLY GLY B . n B 2 24 GLU 24 24 24 GLU GLU B . n B 2 25 GLY 25 25 25 GLY GLY B . n B 2 26 HIS 26 26 26 HIS HIS B . n B 2 27 SER 27 27 27 SER SER B . n B 2 28 CYS 28 28 28 CYS CYS B . n B 2 29 HIS 29 29 29 HIS HIS B . n B 2 30 SER 30 30 30 SER SER B . n B 2 31 PRO 31 31 31 PRO PRO B . n B 2 32 VAL 32 32 32 VAL VAL B . n B 2 33 ALA 33 33 33 ALA ALA B . n B 2 34 LEU 34 34 34 LEU LEU B . n B 2 35 GLU 35 35 35 GLU GLU B . n B 2 36 ARG 36 36 36 ARG ARG B . n B 2 37 ILE 37 37 37 ILE ILE B . n B 2 38 ARG 38 38 38 ARG ARG B . n B 2 39 ASN 39 39 39 ASN ASN B . n B 2 40 GLU 40 40 40 GLU GLU B . n B 2 41 ALA 41 41 41 ALA ALA B . n B 2 42 THR 42 42 42 THR THR B . n B 2 43 ASP 43 43 43 ASP ASP B . n B 2 44 GLY 44 44 44 GLY GLY B . n B 2 45 THR 45 45 45 THR THR B . n B 2 46 LEU 46 46 46 LEU LEU B . n B 2 47 LYS 47 47 47 LYS LYS B . n B 2 48 ILE 48 48 48 ILE ILE B . n B 2 49 GLN 49 49 49 GLN GLN B . n B 2 50 VAL 50 50 50 VAL VAL B . n B 2 51 SER 51 51 51 SER SER B . n B 2 52 LEU 52 52 52 LEU LEU B . n B 2 53 GLN 53 53 53 GLN GLN B . n B 2 54 ILE 54 54 54 ILE ILE B . n B 2 55 GLY 55 55 55 GLY GLY B . n B 2 56 ILE 56 56 56 ILE ILE B . n B 2 57 LYS 57 57 57 LYS LYS B . n B 2 58 THR 58 58 58 THR THR B . n B 2 59 ASP 59 59 59 ASP ASP B . n B 2 60 ASP 60 60 60 ASP ASP B . n B 2 61 SER 61 61 61 SER SER B . n B 2 62 HIS 62 62 62 HIS HIS B . n B 2 63 ASP 63 63 63 ASP ASP B . n B 2 64 TRP 64 64 64 TRP TRP B . n B 2 65 THR 65 65 65 THR THR B . n B 2 66 LYS 66 66 66 LYS LYS B . n B 2 67 LEU 67 67 67 LEU LEU B . n B 2 68 ARG 68 68 68 ARG ARG B . n B 2 69 TYR 69 69 69 TYR TYR B . n B 2 70 MET 70 70 70 MET MET B . n B 2 71 ASP 71 71 71 ASP ASP B . n B 2 72 ASN 72 72 72 ASN ASN B . n B 2 73 HIS 73 73 73 HIS HIS B . n B 2 74 MET 74 74 74 MET MET B . n B 2 75 PRO 75 75 75 PRO PRO B . n B 2 76 ALA 76 76 76 ALA ALA B . n B 2 77 ASP 77 77 77 ASP ASP B . n B 2 78 ALA 78 78 78 ALA ALA B . n B 2 79 GLU 79 79 79 GLU GLU B . n B 2 80 ARG 80 80 80 ARG ARG B . n B 2 81 ALA 81 81 81 ALA ALA B . n B 2 82 GLY 82 82 82 GLY GLY B . n B 2 83 LEU 83 83 83 LEU LEU B . n B 2 84 PHE 84 84 84 PHE PHE B . n B 2 85 VAL 85 85 85 VAL VAL B . n B 2 86 ARG 86 86 86 ARG ARG B . n B 2 87 THR 87 87 87 THR THR B . n B 2 88 SER 88 88 88 SER SER B . n B 2 89 ALA 89 89 89 ALA ALA B . n B 2 90 PRO 90 90 90 PRO PRO B . n B 2 91 CYS 91 91 91 CYS CYS B . n B 2 92 THR 92 92 92 THR THR B . n B 2 93 ILE 93 93 93 ILE ILE B . n B 2 94 THR 94 94 94 THR THR B . n B 2 95 GLY 95 95 95 GLY GLY B . n B 2 96 THR 96 96 96 THR THR B . n B 2 97 MET 97 97 97 MET MET B . n B 2 98 GLY 98 98 98 GLY GLY B . n B 2 99 HIS 99 99 99 HIS HIS B . n B 2 100 PHE 100 100 100 PHE PHE B . n B 2 101 ILE 101 101 101 ILE ILE B . n B 2 102 LEU 102 102 102 LEU LEU B . n B 2 103 ALA 103 103 103 ALA ALA B . n B 2 104 ARG 104 104 104 ARG ARG B . n B 2 105 CYS 105 105 105 CYS CYS B . n B 2 106 PRO 106 106 106 PRO PRO B . n B 2 107 LYS 107 107 107 LYS LYS B . n B 2 108 GLY 108 108 108 GLY GLY B . n B 2 109 GLU 109 109 109 GLU GLU B . n B 2 110 THR 110 110 110 THR THR B . n B 2 111 LEU 111 111 111 LEU LEU B . n B 2 112 THR 112 112 112 THR THR B . n B 2 113 VAL 113 113 113 VAL VAL B . n B 2 114 GLY 114 114 114 GLY GLY B . n B 2 115 PHE 115 115 115 PHE PHE B . n B 2 116 THR 116 116 116 THR THR B . n B 2 117 ASP 117 117 117 ASP ASP B . n B 2 118 SER 118 118 118 SER SER B . n B 2 119 ARG 119 119 119 ARG ARG B . n B 2 120 LYS 120 120 120 LYS LYS B . n B 2 121 ILE 121 121 121 ILE ILE B . n B 2 122 SER 122 122 122 SER SER B . n B 2 123 HIS 123 123 123 HIS HIS B . n B 2 124 SER 124 124 124 SER SER B . n B 2 125 CYS 125 125 125 CYS CYS B . n B 2 126 THR 126 126 126 THR THR B . n B 2 127 HIS 127 127 127 HIS HIS B . n B 2 128 PRO 128 128 128 PRO PRO B . n B 2 129 PHE 129 129 129 PHE PHE B . n B 2 130 HIS 130 130 130 HIS HIS B . n B 2 131 HIS 131 131 131 HIS HIS B . n B 2 132 ASP 132 132 132 ASP ASP B . n B 2 133 PRO 133 133 133 PRO PRO B . n B 2 134 PRO 134 134 134 PRO PRO B . n B 2 135 VAL 135 135 135 VAL VAL B . n B 2 136 ILE 136 136 136 ILE ILE B . n B 2 137 GLY 137 137 137 GLY GLY B . n B 2 138 ARG 138 138 138 ARG ARG B . n B 2 139 GLU 139 139 139 GLU GLU B . n B 2 140 LYS 140 140 140 LYS LYS B . n B 2 141 PHE 141 141 141 PHE PHE B . n B 2 142 HIS 142 142 142 HIS HIS B . n B 2 143 SER 143 143 143 SER SER B . n B 2 144 ARG 144 144 144 ARG ARG B . n B 2 145 PRO 145 145 145 PRO PRO B . n B 2 146 GLN 146 146 146 GLN GLN B . n B 2 147 HIS 147 147 147 HIS HIS B . n B 2 148 GLY 148 148 148 GLY GLY B . n B 2 149 LYS 149 149 149 LYS LYS B . n B 2 150 GLU 150 150 150 GLU GLU B . n B 2 151 LEU 151 151 151 LEU LEU B . n B 2 152 PRO 152 152 152 PRO PRO B . n B 2 153 CYS 153 153 153 CYS CYS B . n B 2 154 SER 154 154 154 SER SER B . n B 2 155 THR 155 155 155 THR THR B . n B 2 156 TYR 156 156 156 TYR TYR B . n B 2 157 VAL 157 157 157 VAL VAL B . n B 2 158 GLN 158 158 158 GLN GLN B . n B 2 159 SER 159 159 159 SER SER B . n B 2 160 THR 160 160 160 THR THR B . n B 2 161 ALA 161 161 161 ALA ALA B . n B 2 162 ALA 162 162 162 ALA ALA B . n B 2 163 THR 163 163 163 THR THR B . n B 2 164 THR 164 164 164 THR THR B . n B 2 165 GLU 165 165 165 GLU GLU B . n B 2 166 GLU 166 166 166 GLU GLU B . n B 2 167 ILE 167 167 167 ILE ILE B . n B 2 168 GLU 168 168 168 GLU GLU B . n B 2 169 VAL 169 169 169 VAL VAL B . n B 2 170 HIS 170 170 170 HIS HIS B . n B 2 171 MET 171 171 171 MET MET B . n B 2 172 PRO 172 172 172 PRO PRO B . n B 2 173 PRO 173 173 173 PRO PRO B . n B 2 174 ASP 174 174 174 ASP ASP B . n B 2 175 THR 175 175 175 THR THR B . n B 2 176 PRO 176 176 176 PRO PRO B . n B 2 177 ASP 177 177 177 ASP ASP B . n B 2 178 ARG 178 178 178 ARG ARG B . n B 2 179 THR 179 179 179 THR THR B . n B 2 180 LEU 180 180 180 LEU LEU B . n B 2 181 MET 181 181 181 MET MET B . n B 2 182 SER 182 182 182 SER SER B . n B 2 183 GLN 183 183 183 GLN GLN B . n B 2 184 GLN 184 184 184 GLN GLN B . n B 2 185 SER 185 185 185 SER SER B . n B 2 186 GLY 186 186 186 GLY GLY B . n B 2 187 ASN 187 187 187 ASN ASN B . n B 2 188 VAL 188 188 188 VAL VAL B . n B 2 189 LYS 189 189 189 LYS LYS B . n B 2 190 ILE 190 190 190 ILE ILE B . n B 2 191 THR 191 191 191 THR THR B . n B 2 192 VAL 192 192 192 VAL VAL B . n B 2 193 ASN 193 193 193 ASN ASN B . n B 2 194 GLY 194 194 194 GLY GLY B . n B 2 195 GLN 195 195 195 GLN GLN B . n B 2 196 THR 196 196 196 THR THR B . n B 2 197 VAL 197 197 197 VAL VAL B . n B 2 198 ARG 198 198 198 ARG ARG B . n B 2 199 TYR 199 199 199 TYR TYR B . n B 2 200 LYS 200 200 200 LYS LYS B . n B 2 201 CYS 201 201 201 CYS CYS B . n B 2 202 ASN 202 202 202 ASN ASN B . n B 2 203 CYS 203 203 203 CYS CYS B . n B 2 204 GLY 204 204 204 GLY GLY B . n B 2 205 GLY 205 205 205 GLY GLY B . n B 2 206 SER 206 206 206 SER SER B . n B 2 207 ASN 207 207 207 ASN ASN B . n B 2 208 GLU 208 208 208 GLU GLU B . n B 2 209 GLY 209 209 209 GLY GLY B . n B 2 210 LEU 210 210 210 LEU LEU B . n B 2 211 THR 211 211 211 THR THR B . n B 2 212 THR 212 212 212 THR THR B . n B 2 213 THR 213 213 213 THR THR B . n B 2 214 ASP 214 214 214 ASP ASP B . n B 2 215 LYS 215 215 215 LYS LYS B . n B 2 216 VAL 216 216 216 VAL VAL B . n B 2 217 ILE 217 217 217 ILE ILE B . n B 2 218 ASN 218 218 218 ASN ASN B . n B 2 219 ASN 219 219 219 ASN ASN B . n B 2 220 CYS 220 220 220 CYS CYS B . n B 2 221 LYS 221 221 221 LYS LYS B . n B 2 222 VAL 222 222 222 VAL VAL B . n B 2 223 ASP 223 223 223 ASP ASP B . n B 2 224 GLN 224 224 224 GLN GLN B . n B 2 225 CYS 225 225 225 CYS CYS B . n B 2 226 HIS 226 226 226 HIS HIS B . n B 2 227 ALA 227 227 227 ALA ALA B . n B 2 228 ALA 228 228 228 ALA ALA B . n B 2 229 VAL 229 229 229 VAL VAL B . n B 2 230 THR 230 230 230 THR THR B . n B 2 231 ASN 231 231 231 ASN ASN B . n B 2 232 HIS 232 232 232 HIS HIS B . n B 2 233 LYS 233 233 233 LYS LYS B . n B 2 234 LYS 234 234 234 LYS LYS B . n B 2 235 TRP 235 235 235 TRP TRP B . n B 2 236 GLN 236 236 236 GLN GLN B . n B 2 237 TYR 237 237 237 TYR TYR B . n B 2 238 ASN 238 238 238 ASN ASN B . n B 2 239 SER 239 239 239 SER SER B . n B 2 240 PRO 240 240 240 PRO PRO B . n B 2 241 LEU 241 241 241 LEU LEU B . n B 2 242 VAL 242 242 242 VAL VAL B . n B 2 243 PRO 243 243 243 PRO PRO B . n B 2 244 ARG 244 244 244 ARG ARG B . n B 2 245 ASN 245 245 245 ASN ASN B . n B 2 246 ALA 246 246 246 ALA ALA B . n B 2 247 GLU 247 247 247 GLU GLU B . n B 2 248 LEU 248 248 248 LEU LEU B . n B 2 249 GLY 249 249 249 GLY GLY B . n B 2 250 ASP 250 250 250 ASP ASP B . n B 2 251 ARG 251 251 251 ARG ARG B . n B 2 252 LYS 252 252 252 LYS LYS B . n B 2 253 GLY 253 253 253 GLY GLY B . n B 2 254 LYS 254 254 254 LYS LYS B . n B 2 255 ILE 255 255 255 ILE ILE B . n B 2 256 HIS 256 256 256 HIS HIS B . n B 2 257 ILE 257 257 257 ILE ILE B . n B 2 258 PRO 258 258 258 PRO PRO B . n B 2 259 PHE 259 259 259 PHE PHE B . n B 2 260 PRO 260 260 260 PRO PRO B . n B 2 261 LEU 261 261 261 LEU LEU B . n B 2 262 ALA 262 262 262 ALA ALA B . n B 2 263 ASN 263 263 263 ASN ASN B . n B 2 264 VAL 264 264 264 VAL VAL B . n B 2 265 THR 265 265 265 THR THR B . n B 2 266 CYS 266 266 266 CYS CYS B . n B 2 267 ARG 267 267 267 ARG ARG B . n B 2 268 VAL 268 268 268 VAL VAL B . n B 2 269 PRO 269 269 269 PRO PRO B . n B 2 270 LYS 270 270 270 LYS LYS B . n B 2 271 ALA 271 271 271 ALA ALA B . n B 2 272 ARG 272 272 272 ARG ARG B . n B 2 273 ASN 273 273 273 ASN ASN B . n B 2 274 PRO 274 274 274 PRO PRO B . n B 2 275 THR 275 275 275 THR THR B . n B 2 276 VAL 276 276 276 VAL VAL B . n B 2 277 THR 277 277 277 THR THR B . n B 2 278 TYR 278 278 278 TYR TYR B . n B 2 279 GLY 279 279 279 GLY GLY B . n B 2 280 LYS 280 280 280 LYS LYS B . n B 2 281 ASN 281 281 281 ASN ASN B . n B 2 282 GLN 282 282 282 GLN GLN B . n B 2 283 VAL 283 283 283 VAL VAL B . n B 2 284 ILE 284 284 284 ILE ILE B . n B 2 285 MET 285 285 285 MET MET B . n B 2 286 LEU 286 286 286 LEU LEU B . n B 2 287 LEU 287 287 287 LEU LEU B . n B 2 288 TYR 288 288 288 TYR TYR B . n B 2 289 PRO 289 289 289 PRO PRO B . n B 2 290 ASP 290 290 290 ASP ASP B . n B 2 291 HIS 291 291 291 HIS HIS B . n B 2 292 PRO 292 292 292 PRO PRO B . n B 2 293 THR 293 293 293 THR THR B . n B 2 294 LEU 294 294 294 LEU LEU B . n B 2 295 LEU 295 295 295 LEU LEU B . n B 2 296 SER 296 296 296 SER SER B . n B 2 297 TYR 297 297 297 TYR TYR B . n B 2 298 ARG 298 298 298 ARG ARG B . n B 2 299 ASN 299 299 299 ASN ASN B . n B 2 300 MET 300 300 300 MET MET B . n B 2 301 GLY 301 301 301 GLY GLY B . n B 2 302 GLU 302 302 302 GLU GLU B . n B 2 303 GLU 303 303 303 GLU GLU B . n B 2 304 PRO 304 304 304 PRO PRO B . n B 2 305 ASN 305 305 305 ASN ASN B . n B 2 306 TYR 306 306 306 TYR TYR B . n B 2 307 GLN 307 307 307 GLN GLN B . n B 2 308 GLU 308 308 308 GLU GLU B . n B 2 309 GLU 309 309 309 GLU GLU B . n B 2 310 TRP 310 310 310 TRP TRP B . n B 2 311 VAL 311 311 311 VAL VAL B . n B 2 312 MET 312 312 312 MET MET B . n B 2 313 HIS 313 313 313 HIS HIS B . n B 2 314 LYS 314 314 314 LYS LYS B . n B 2 315 LYS 315 315 315 LYS LYS B . n B 2 316 GLU 316 316 316 GLU GLU B . n B 2 317 VAL 317 317 317 VAL VAL B . n B 2 318 VAL 318 318 318 VAL VAL B . n B 2 319 LEU 319 319 319 LEU LEU B . n B 2 320 THR 320 320 320 THR THR B . n B 2 321 VAL 321 321 321 VAL VAL B . n B 2 322 PRO 322 322 322 PRO PRO B . n B 2 323 THR 323 323 323 THR THR B . n B 2 324 GLU 324 324 324 GLU GLU B . n B 2 325 GLY 325 325 325 GLY GLY B . n B 2 326 LEU 326 326 326 LEU LEU B . n B 2 327 GLU 327 327 327 GLU GLU B . n B 2 328 VAL 328 328 328 VAL VAL B . n B 2 329 THR 329 329 329 THR THR B . n B 2 330 TRP 330 330 330 TRP TRP B . n B 2 331 GLY 331 331 331 GLY GLY B . n B 2 332 ASN 332 332 332 ASN ASN B . n B 2 333 ASN 333 333 333 ASN ASN B . n B 2 334 GLU 334 334 334 GLU GLU B . n B 2 335 PRO 335 335 335 PRO PRO B . n B 2 336 TYR 336 336 336 TYR TYR B . n B 2 337 LYS 337 337 337 LYS LYS B . n B 2 338 TYR 338 338 338 TYR TYR B . n B 2 339 TRP 339 339 339 TRP TRP B . n B 2 340 PRO 340 340 340 PRO PRO B . n B 2 341 GLN 341 341 341 GLN GLN B . n B 2 342 LEU 342 342 342 LEU LEU B . n B 2 343 SER 343 343 ? ? ? B . n B 2 344 THR 344 344 ? ? ? B . n B 2 345 ASN 345 345 ? ? ? B . n B 2 346 GLY 346 346 ? ? ? B . n B 2 347 THR 347 347 ? ? ? B . n B 2 348 ALA 348 348 ? ? ? B . n B 2 349 HIS 349 349 ? ? ? B . n B 2 350 GLY 350 350 ? ? ? B . n B 2 351 HIS 351 351 ? ? ? B . n B 2 352 PRO 352 352 ? ? ? B . n B 2 353 HIS 353 353 ? ? ? B . n B 2 354 GLU 354 354 ? ? ? B . n B 2 355 ILE 355 355 ? ? ? B . n B 2 356 ILE 356 356 ? ? ? B . n B 2 357 LEU 357 357 ? ? ? B . n B 2 358 TYR 358 358 ? ? ? B . n B 2 359 TYR 359 359 ? ? ? B . n B 2 360 TYR 360 360 ? ? ? B . n C 3 1 GLU 1 -21 ? ? ? F . n C 3 2 LEU 2 -20 ? ? ? F . n C 3 3 TYR 3 -19 ? ? ? F . n C 3 4 GLY 4 -18 ? ? ? F . n C 3 5 GLY 5 -17 ? ? ? F . n C 3 6 GLY 6 -16 ? ? ? F . n C 3 7 GLY 7 -15 ? ? ? F . n C 3 8 SER 8 -14 ? ? ? F . n C 3 9 GLY 9 -13 ? ? ? F . n C 3 10 GLY 10 -12 ? ? ? F . n C 3 11 GLY 11 -11 ? ? ? F . n C 3 12 GLY 12 -10 ? ? ? F . n C 3 13 SER 13 -9 ? ? ? F . n C 3 14 GLY 14 -8 ? ? ? F . n C 3 15 GLY 15 -7 ? ? ? F . n C 3 16 GLY 16 -6 ? ? ? F . n C 3 17 GLY 17 -5 ? ? ? F . n C 3 18 SER 18 -4 ? ? ? F . n C 3 19 GLY 19 -3 ? ? ? F . n C 3 20 GLY 20 -2 ? ? ? F . n C 3 21 GLY 21 -1 ? ? ? F . n C 3 22 GLY 22 0 0 GLY GLY F . n C 3 23 TYR 23 1 1 TYR TYR F . n C 3 24 GLU 24 2 2 GLU GLU F . n C 3 25 HIS 25 3 3 HIS HIS F . n C 3 26 VAL 26 4 4 VAL VAL F . n C 3 27 THR 27 5 5 THR THR F . n C 3 28 VAL 28 6 6 VAL VAL F . n C 3 29 ILE 29 7 7 ILE ILE F . n C 3 30 PRO 30 8 8 PRO PRO F . n C 3 31 ASN 31 9 9 ASN ASN F . n C 3 32 THR 32 10 10 THR THR F . n C 3 33 VAL 33 11 11 VAL VAL F . n C 3 34 GLY 34 12 12 GLY GLY F . n C 3 35 VAL 35 13 13 VAL VAL F . n C 3 36 PRO 36 14 14 PRO PRO F . n C 3 37 TYR 37 15 15 TYR TYR F . n C 3 38 LYS 38 16 16 LYS LYS F . n C 3 39 THR 39 17 17 THR THR F . n C 3 40 LEU 40 18 18 LEU LEU F . n C 3 41 VAL 41 19 19 VAL VAL F . n C 3 42 ASN 42 20 20 ASN ASN F . n C 3 43 ARG 43 21 21 ARG ARG F . n C 3 44 PRO 44 22 22 PRO PRO F . n C 3 45 GLY 45 23 23 GLY GLY F . n C 3 46 TYR 46 24 24 TYR TYR F . n C 3 47 SER 47 25 25 SER SER F . n C 3 48 PRO 48 26 26 PRO PRO F . n C 3 49 MET 49 27 27 MET MET F . n C 3 50 VAL 50 28 28 VAL VAL F . n C 3 51 LEU 51 29 29 LEU LEU F . n C 3 52 GLU 52 30 30 GLU GLU F . n C 3 53 MET 53 31 31 MET MET F . n C 3 54 GLU 54 32 32 GLU GLU F . n C 3 55 LEU 55 33 33 LEU LEU F . n C 3 56 LEU 56 34 34 LEU LEU F . n C 3 57 SER 57 35 35 SER SER F . n C 3 58 VAL 58 36 36 VAL VAL F . n C 3 59 THR 59 37 37 THR THR F . n C 3 60 LEU 60 38 38 LEU LEU F . n C 3 61 GLU 61 39 39 GLU GLU F . n C 3 62 PRO 62 40 40 PRO PRO F . n C 3 63 THR 63 41 41 THR THR F . n C 3 64 LEU 64 42 42 LEU LEU F . n C 3 65 SER 65 43 43 SER SER F . n C 3 66 LEU 66 44 44 LEU LEU F . n C 3 67 ASP 67 45 45 ASP ASP F . n C 3 68 TYR 68 46 46 TYR TYR F . n C 3 69 ILE 69 47 47 ILE ILE F . n C 3 70 THR 70 48 48 THR THR F . n C 3 71 CYS 71 49 49 CYS CYS F . n C 3 72 GLU 72 50 50 GLU GLU F . n C 3 73 TYR 73 51 51 TYR TYR F . n C 3 74 LYS 74 52 52 LYS LYS F . n C 3 75 THR 75 53 53 THR THR F . n C 3 76 VAL 76 54 54 VAL VAL F . n C 3 77 ILE 77 55 55 ILE ILE F . n C 3 78 PRO 78 56 56 PRO PRO F . n C 3 79 SER 79 57 57 SER SER F . n C 3 80 PRO 80 58 58 PRO PRO F . n C 3 81 TYR 81 59 59 TYR TYR F . n C 3 82 VAL 82 60 60 VAL VAL F . n C 3 83 LYS 83 61 61 LYS LYS F . n C 3 84 CYS 84 62 62 CYS CYS F . n C 3 85 CYS 85 63 63 CYS CYS F . n C 3 86 GLY 86 64 64 GLY GLY F . n C 3 87 THR 87 65 65 THR THR F . n C 3 88 ALA 88 66 66 ALA ALA F . n C 3 89 GLU 89 67 67 GLU GLU F . n C 3 90 CYS 90 68 68 CYS CYS F . n C 3 91 LYS 91 69 69 LYS LYS F . n C 3 92 ASP 92 70 70 ASP ASP F . n C 3 93 LYS 93 71 71 LYS LYS F . n C 3 94 ASN 94 72 72 ASN ASN F . n C 3 95 LEU 95 73 73 LEU LEU F . n C 3 96 PRO 96 74 74 PRO PRO F . n C 3 97 ASP 97 75 75 ASP ASP F . n C 3 98 TYR 98 76 76 TYR TYR F . n C 3 99 SER 99 77 77 SER SER F . n C 3 100 CYS 100 78 78 CYS CYS F . n C 3 101 LYS 101 79 79 LYS LYS F . n C 3 102 VAL 102 80 80 VAL VAL F . n C 3 103 PHE 103 81 81 PHE PHE F . n C 3 104 THR 104 82 82 THR THR F . n C 3 105 GLY 105 83 83 GLY GLY F . n C 3 106 VAL 106 84 84 VAL VAL F . n C 3 107 TYR 107 85 85 TYR TYR F . n C 3 108 PRO 108 86 86 PRO PRO F . n C 3 109 PHE 109 87 87 PHE PHE F . n C 3 110 MET 110 88 88 MET MET F . n C 3 111 TRP 111 89 89 TRP TRP F . n C 3 112 GLY 112 90 90 GLY GLY F . n C 3 113 GLY 113 91 91 GLY GLY F . n C 3 114 ALA 114 92 92 ALA ALA F . n C 3 115 TYR 115 93 93 TYR TYR F . n C 3 116 CYS 116 94 94 CYS CYS F . n C 3 117 PHE 117 95 95 PHE PHE F . n C 3 118 CYS 118 96 96 CYS CYS F . n C 3 119 ASP 119 97 97 ASP ASP F . n C 3 120 ALA 120 98 98 ALA ALA F . n C 3 121 GLU 121 99 99 GLU GLU F . n C 3 122 ASN 122 100 100 ASN ASN F . n C 3 123 THR 123 101 101 THR THR F . n C 3 124 GLN 124 102 102 GLN GLN F . n C 3 125 LEU 125 103 103 LEU LEU F . n C 3 126 SER 126 104 104 SER SER F . n C 3 127 GLU 127 105 105 GLU GLU F . n C 3 128 ALA 128 106 106 ALA ALA F . n C 3 129 HIS 129 107 107 HIS HIS F . n C 3 130 VAL 130 108 108 VAL VAL F . n C 3 131 GLU 131 109 109 GLU GLU F . n C 3 132 LYS 132 110 110 LYS LYS F . n C 3 133 SER 133 111 111 SER SER F . n C 3 134 GLU 134 112 112 GLU GLU F . n C 3 135 SER 135 113 113 SER SER F . n C 3 136 CYS 136 114 114 CYS CYS F . n C 3 137 LYS 137 115 115 LYS LYS F . n C 3 138 THR 138 116 116 THR THR F . n C 3 139 GLU 139 117 117 GLU GLU F . n C 3 140 PHE 140 118 118 PHE PHE F . n C 3 141 ALA 141 119 119 ALA ALA F . n C 3 142 SER 142 120 120 SER SER F . n C 3 143 ALA 143 121 121 ALA ALA F . n C 3 144 TYR 144 122 122 TYR TYR F . n C 3 145 ARG 145 123 123 ARG ARG F . n C 3 146 ALA 146 124 124 ALA ALA F . n C 3 147 HIS 147 125 125 HIS HIS F . n C 3 148 THR 148 126 126 THR THR F . n C 3 149 ALA 149 127 127 ALA ALA F . n C 3 150 SER 150 128 128 SER SER F . n C 3 151 ALA 151 129 129 ALA ALA F . n C 3 152 SER 152 130 130 SER SER F . n C 3 153 ALA 153 131 131 ALA ALA F . n C 3 154 LYS 154 132 132 LYS LYS F . n C 3 155 LEU 155 133 133 LEU LEU F . n C 3 156 ARG 156 134 134 ARG ARG F . n C 3 157 VAL 157 135 135 VAL VAL F . n C 3 158 LEU 158 136 136 LEU LEU F . n C 3 159 TYR 159 137 137 TYR TYR F . n C 3 160 GLN 160 138 138 GLN GLN F . n C 3 161 GLY 161 139 139 GLY GLY F . n C 3 162 ASN 162 140 140 ASN ASN F . n C 3 163 ASN 163 141 141 ASN ASN F . n C 3 164 ILE 164 142 142 ILE ILE F . n C 3 165 THR 165 143 143 THR THR F . n C 3 166 VAL 166 144 144 VAL VAL F . n C 3 167 THR 167 145 145 THR THR F . n C 3 168 ALA 168 146 146 ALA ALA F . n C 3 169 TYR 169 147 147 TYR TYR F . n C 3 170 ALA 170 148 148 ALA ALA F . n C 3 171 ASN 171 149 149 ASN ASN F . n C 3 172 GLY 172 150 150 GLY GLY F . n C 3 173 ASP 173 151 151 ASP ASP F . n C 3 174 HIS 174 152 152 HIS HIS F . n C 3 175 ALA 175 153 153 ALA ALA F . n C 3 176 VAL 176 154 154 VAL VAL F . n C 3 177 THR 177 155 155 THR THR F . n C 3 178 VAL 178 156 156 VAL VAL F . n C 3 179 LYS 179 157 157 LYS LYS F . n C 3 180 ASP 180 158 158 ASP ASP F . n C 3 181 ALA 181 159 159 ALA ALA F . n C 3 182 LYS 182 160 160 LYS LYS F . n C 3 183 PHE 183 161 161 PHE PHE F . n C 3 184 ILE 184 162 162 ILE ILE F . n C 3 185 VAL 185 163 163 VAL VAL F . n C 3 186 GLY 186 164 164 GLY GLY F . n C 3 187 PRO 187 165 165 PRO PRO F . n C 3 188 MET 188 166 166 MET MET F . n C 3 189 SER 189 167 167 SER SER F . n C 3 190 SER 190 168 168 SER SER F . n C 3 191 ALA 191 169 169 ALA ALA F . n C 3 192 TRP 192 170 170 TRP TRP F . n C 3 193 THR 193 171 171 THR THR F . n C 3 194 PRO 194 172 172 PRO PRO F . n C 3 195 PHE 195 173 173 PHE PHE F . n C 3 196 ASP 196 174 174 ASP ASP F . n C 3 197 ASN 197 175 175 ASN ASN F . n C 3 198 LYS 198 176 176 LYS LYS F . n C 3 199 ILE 199 177 177 ILE ILE F . n C 3 200 VAL 200 178 178 VAL VAL F . n C 3 201 VAL 201 179 179 VAL VAL F . n C 3 202 TYR 202 180 180 TYR TYR F . n C 3 203 LYS 203 181 181 LYS LYS F . n C 3 204 GLY 204 182 182 GLY GLY F . n C 3 205 ASP 205 183 183 ASP ASP F . n C 3 206 VAL 206 184 184 VAL VAL F . n C 3 207 TYR 207 185 185 TYR TYR F . n C 3 208 ASN 208 186 186 ASN ASN F . n C 3 209 MET 209 187 187 MET MET F . n C 3 210 ASP 210 188 188 ASP ASP F . n C 3 211 TYR 211 189 189 TYR TYR F . n C 3 212 PRO 212 190 190 PRO PRO F . n C 3 213 PRO 213 191 191 PRO PRO F . n C 3 214 PHE 214 192 192 PHE PHE F . n C 3 215 GLY 215 193 193 GLY GLY F . n C 3 216 ALA 216 194 194 ALA ALA F . n C 3 217 GLY 217 195 195 GLY GLY F . n C 3 218 ARG 218 196 196 ARG ARG F . n C 3 219 PRO 219 197 197 PRO PRO F . n C 3 220 GLY 220 198 198 GLY GLY F . n C 3 221 GLN 221 199 199 GLN GLN F . n C 3 222 PHE 222 200 200 PHE PHE F . n C 3 223 GLY 223 201 201 GLY GLY F . n C 3 224 ASP 224 202 202 ASP ASP F . n C 3 225 ILE 225 203 203 ILE ILE F . n C 3 226 GLN 226 204 204 GLN GLN F . n C 3 227 SER 227 205 205 SER SER F . n C 3 228 ARG 228 206 206 ARG ARG F . n C 3 229 THR 229 207 207 THR THR F . n C 3 230 PRO 230 208 208 PRO PRO F . n C 3 231 GLU 231 209 209 GLU GLU F . n C 3 232 SER 232 210 210 SER SER F . n C 3 233 LYS 233 211 211 LYS LYS F . n C 3 234 ASP 234 212 212 ASP ASP F . n C 3 235 VAL 235 213 213 VAL VAL F . n C 3 236 TYR 236 214 214 TYR TYR F . n C 3 237 ALA 237 215 215 ALA ALA F . n C 3 238 ASN 238 216 216 ASN ASN F . n C 3 239 THR 239 217 217 THR THR F . n C 3 240 GLN 240 218 218 GLN GLN F . n C 3 241 LEU 241 219 219 LEU LEU F . n C 3 242 VAL 242 220 220 VAL VAL F . n C 3 243 LEU 243 221 221 LEU LEU F . n C 3 244 GLN 244 222 222 GLN GLN F . n C 3 245 ARG 245 223 223 ARG ARG F . n C 3 246 PRO 246 224 224 PRO PRO F . n C 3 247 ALA 247 225 225 ALA ALA F . n C 3 248 ALA 248 226 226 ALA ALA F . n C 3 249 GLY 249 227 227 GLY GLY F . n C 3 250 THR 250 228 228 THR THR F . n C 3 251 VAL 251 229 229 VAL VAL F . n C 3 252 HIS 252 230 230 HIS HIS F . n C 3 253 VAL 253 231 231 VAL VAL F . n C 3 254 PRO 254 232 232 PRO PRO F . n C 3 255 TYR 255 233 233 TYR TYR F . n C 3 256 SER 256 234 234 SER SER F . n C 3 257 GLN 257 235 235 GLN GLN F . n C 3 258 ALA 258 236 236 ALA ALA F . n C 3 259 PRO 259 237 237 PRO PRO F . n C 3 260 SER 260 238 238 SER SER F . n C 3 261 GLY 261 239 239 GLY GLY F . n C 3 262 PHE 262 240 240 PHE PHE F . n C 3 263 LYS 263 241 241 LYS LYS F . n C 3 264 TYR 264 242 242 TYR TYR F . n C 3 265 TRP 265 243 243 TRP TRP F . n C 3 266 LEU 266 244 244 LEU LEU F . n C 3 267 LYS 267 245 245 LYS LYS F . n C 3 268 GLU 268 246 246 GLU GLU F . n C 3 269 ARG 269 247 247 ARG ARG F . n C 3 270 GLY 270 248 248 GLY GLY F . n C 3 271 ALA 271 249 249 ALA ALA F . n C 3 272 SER 272 250 250 SER SER F . n C 3 273 LEU 273 251 251 LEU LEU F . n C 3 274 GLN 274 252 252 GLN GLN F . n C 3 275 HIS 275 253 253 HIS HIS F . n C 3 276 THR 276 254 254 THR THR F . n C 3 277 ALA 277 255 255 ALA ALA F . n C 3 278 PRO 278 256 256 PRO PRO F . n C 3 279 PHE 279 257 257 PHE PHE F . n C 3 280 GLY 280 258 258 GLY GLY F . n C 3 281 CYS 281 259 259 CYS CYS F . n C 3 282 GLN 282 260 260 GLN GLN F . n C 3 283 ILE 283 261 261 ILE ILE F . n C 3 284 ALA 284 262 262 ALA ALA F . n C 3 285 THR 285 263 263 THR THR F . n C 3 286 ASN 286 264 264 ASN ASN F . n C 3 287 PRO 287 265 265 PRO PRO F . n C 3 288 VAL 288 266 266 VAL VAL F . n C 3 289 ARG 289 267 267 ARG ARG F . n C 3 290 ALA 290 268 268 ALA ALA F . n C 3 291 VAL 291 269 269 VAL VAL F . n C 3 292 ASN 292 270 270 ASN ASN F . n C 3 293 CYS 293 271 271 CYS CYS F . n C 3 294 ALA 294 272 272 ALA ALA F . n C 3 295 VAL 295 273 273 VAL VAL F . n C 3 296 GLY 296 274 274 GLY GLY F . n C 3 297 ASN 297 275 275 ASN ASN F . n C 3 298 MET 298 276 276 MET MET F . n C 3 299 PRO 299 277 277 PRO PRO F . n C 3 300 ILE 300 278 278 ILE ILE F . n C 3 301 SER 301 279 279 SER SER F . n C 3 302 ILE 302 280 280 ILE ILE F . n C 3 303 ASP 303 281 281 ASP ASP F . n C 3 304 ILE 304 282 282 ILE ILE F . n C 3 305 PRO 305 283 283 PRO PRO F . n C 3 306 GLU 306 284 284 GLU GLU F . n C 3 307 ALA 307 285 285 ALA ALA F . n C 3 308 ALA 308 286 286 ALA ALA F . n C 3 309 PHE 309 287 287 PHE PHE F . n C 3 310 THR 310 288 288 THR THR F . n C 3 311 ARG 311 289 289 ARG ARG F . n C 3 312 VAL 312 290 290 VAL VAL F . n C 3 313 VAL 313 291 291 VAL VAL F . n C 3 314 ASP 314 292 292 ASP ASP F . n C 3 315 ALA 315 293 293 ALA ALA F . n C 3 316 PRO 316 294 294 PRO PRO F . n C 3 317 SER 317 295 295 SER SER F . n C 3 318 LEU 318 296 296 LEU LEU F . n C 3 319 THR 319 297 297 THR THR F . n C 3 320 ASP 320 298 298 ASP ASP F . n C 3 321 MET 321 299 299 MET MET F . n C 3 322 SER 322 300 300 SER SER F . n C 3 323 CYS 323 301 301 CYS CYS F . n C 3 324 GLU 324 302 302 GLU GLU F . n C 3 325 VAL 325 303 303 VAL VAL F . n C 3 326 PRO 326 304 304 PRO PRO F . n C 3 327 ALA 327 305 305 ALA ALA F . n C 3 328 CYS 328 306 306 CYS CYS F . n C 3 329 THR 329 307 307 THR THR F . n C 3 330 HIS 330 308 308 HIS HIS F . n C 3 331 SER 331 309 309 SER SER F . n C 3 332 SER 332 310 310 SER SER F . n C 3 333 ASP 333 311 311 ASP ASP F . n C 3 334 PHE 334 312 312 PHE PHE F . n C 3 335 GLY 335 313 313 GLY GLY F . n C 3 336 GLY 336 314 314 GLY GLY F . n C 3 337 VAL 337 315 315 VAL VAL F . n C 3 338 ALA 338 316 316 ALA ALA F . n C 3 339 ILE 339 317 317 ILE ILE F . n C 3 340 ILE 340 318 318 ILE ILE F . n C 3 341 LYS 341 319 319 LYS LYS F . n C 3 342 TYR 342 320 320 TYR TYR F . n C 3 343 ALA 343 321 321 ALA ALA F . n C 3 344 ALA 344 322 322 ALA ALA F . n C 3 345 SER 345 323 323 SER SER F . n C 3 346 LYS 346 324 324 LYS LYS F . n C 3 347 LYS 347 325 325 LYS LYS F . n C 3 348 GLY 348 326 326 GLY GLY F . n C 3 349 LYS 349 327 327 LYS LYS F . n C 3 350 CYS 350 328 328 CYS CYS F . n C 3 351 ALA 351 329 329 ALA ALA F . n C 3 352 VAL 352 330 330 VAL VAL F . n C 3 353 HIS 353 331 331 HIS HIS F . n C 3 354 SER 354 332 332 SER SER F . n C 3 355 MET 355 333 333 MET MET F . n C 3 356 THR 356 334 334 THR THR F . n C 3 357 ASN 357 335 335 ASN ASN F . n C 3 358 ALA 358 336 336 ALA ALA F . n C 3 359 VAL 359 337 337 VAL VAL F . n C 3 360 THR 360 338 338 THR THR F . n C 3 361 ILE 361 339 339 ILE ILE F . n C 3 362 ARG 362 340 340 ARG ARG F . n C 3 363 GLU 363 341 341 GLU GLU F . n C 3 364 ALA 364 342 342 ALA ALA F . n C 3 365 GLU 365 343 343 GLU GLU F . n C 3 366 ILE 366 344 344 ILE ILE F . n C 3 367 GLU 367 345 345 GLU GLU F . n C 3 368 VAL 368 346 346 VAL VAL F . n C 3 369 GLU 369 347 347 GLU GLU F . n C 3 370 GLY 370 348 348 GLY GLY F . n C 3 371 ASN 371 349 349 ASN ASN F . n C 3 372 SER 372 350 350 SER SER F . n C 3 373 GLN 373 351 351 GLN GLN F . n C 3 374 LEU 374 352 352 LEU LEU F . n C 3 375 GLN 375 353 353 GLN GLN F . n C 3 376 ILE 376 354 354 ILE ILE F . n C 3 377 SER 377 355 355 SER SER F . n C 3 378 PHE 378 356 356 PHE PHE F . n C 3 379 SER 379 357 357 SER SER F . n C 3 380 THR 380 358 358 THR THR F . n C 3 381 ALA 381 359 359 ALA ALA F . n C 3 382 LEU 382 360 360 LEU LEU F . n C 3 383 ALA 383 361 361 ALA ALA F . n C 3 384 SER 384 362 362 SER SER F . n C 3 385 ALA 385 363 363 ALA ALA F . n C 3 386 GLU 386 364 364 GLU GLU F . n C 3 387 PHE 387 365 365 PHE PHE F . n C 3 388 ARG 388 366 366 ARG ARG F . n C 3 389 VAL 389 367 367 VAL VAL F . n C 3 390 GLN 390 368 368 GLN GLN F . n C 3 391 VAL 391 369 369 VAL VAL F . n C 3 392 CYS 392 370 370 CYS CYS F . n C 3 393 SER 393 371 371 SER SER F . n C 3 394 THR 394 372 372 THR THR F . n C 3 395 GLN 395 373 373 GLN GLN F . n C 3 396 VAL 396 374 374 VAL VAL F . n C 3 397 HIS 397 375 375 HIS HIS F . n C 3 398 CYS 398 376 376 CYS CYS F . n C 3 399 ALA 399 377 377 ALA ALA F . n C 3 400 ALA 400 378 378 ALA ALA F . n C 3 401 GLU 401 379 379 GLU GLU F . n C 3 402 CYS 402 380 380 CYS CYS F . n C 3 403 HIS 403 381 381 HIS HIS F . n C 3 404 PRO 404 382 ? ? ? F . n C 3 405 PRO 405 383 ? ? ? F . n C 3 406 LYS 406 384 ? ? ? F . n C 3 407 ASP 407 385 ? ? ? F . n C 3 408 HIS 408 386 ? ? ? F . n C 3 409 ILE 409 387 ? ? ? F . n C 3 410 VAL 410 388 ? ? ? F . n C 3 411 ASN 411 389 ? ? ? F . n C 3 412 TYR 412 390 ? ? ? F . n C 3 413 PRO 413 391 ? ? ? F . n C 3 414 ALA 414 392 ? ? ? F . n C 3 415 SER 415 393 ? ? ? F . n C 3 416 HIS 416 394 ? ? ? F . n C 3 417 THR 417 395 ? ? ? F . n C 3 418 THR 418 396 ? ? ? F . n C 3 419 LEU 419 397 ? ? ? F . n C 3 420 GLY 420 398 ? ? ? F . n C 3 421 VAL 421 399 ? ? ? F . n C 3 422 GLN 422 400 ? ? ? F . n C 3 423 ASP 423 401 ? ? ? F . n C 3 424 ILE 424 402 ? ? ? F . n C 3 425 SER 425 403 ? ? ? F . n C 3 426 ALA 426 404 ? ? ? F . n C 3 427 THR 427 405 ? ? ? F . n C 3 428 ALA 428 406 ? ? ? F . n C 3 429 MET 429 407 ? ? ? F . n C 3 430 SER 430 408 ? ? ? F . n C 3 431 TRP 431 409 ? ? ? F . n C 3 432 VAL 432 410 ? ? ? F . n C 3 433 GLN 433 411 ? ? ? F . n C 3 434 LYS 434 412 ? ? ? F . n C 3 435 GLY 435 413 ? ? ? F . n C 3 436 PRO 436 414 ? ? ? F . n C 3 437 PHE 437 415 ? ? ? F . n C 3 438 GLU 438 416 ? ? ? F . n C 3 439 ASP 439 417 ? ? ? F . n C 3 440 ASP 440 418 ? ? ? F . n C 3 441 ASP 441 419 ? ? ? F . n C 3 442 ASP 442 420 ? ? ? F . n C 3 443 LYS 443 421 ? ? ? F . n C 3 444 ALA 444 422 ? ? ? F . n C 3 445 GLY 445 423 ? ? ? F . n C 3 446 TRP 446 424 ? ? ? F . n C 3 447 SER 447 425 ? ? ? F . n C 3 448 HIS 448 426 ? ? ? F . n C 3 449 PRO 449 427 ? ? ? F . n C 3 450 GLN 450 428 ? ? ? F . n C 3 451 PHE 451 429 ? ? ? F . n C 3 452 GLU 452 430 ? ? ? F . n C 3 453 LYS 453 431 ? ? ? F . n C 3 454 GLY 454 432 ? ? ? F . n C 3 455 GLY 455 433 ? ? ? F . n C 3 456 GLY 456 434 ? ? ? F . n C 3 457 SER 457 435 ? ? ? F . n C 3 458 GLY 458 436 ? ? ? F . n C 3 459 GLY 459 437 ? ? ? F . n C 3 460 GLY 460 438 ? ? ? F . n C 3 461 SER 461 439 ? ? ? F . n C 3 462 GLY 462 440 ? ? ? F . n C 3 463 GLY 463 441 ? ? ? F . n C 3 464 GLY 464 442 ? ? ? F . n C 3 465 SER 465 443 ? ? ? F . n C 3 466 TRP 466 444 ? ? ? F . n C 3 467 SER 467 445 ? ? ? F . n C 3 468 HIS 468 446 ? ? ? F . n C 3 469 PRO 469 447 ? ? ? F . n C 3 470 GLN 470 448 ? ? ? F . n C 3 471 PHE 471 449 ? ? ? F . n C 3 472 GLU 472 450 ? ? ? F . n C 3 473 LYS 473 451 ? ? ? F . n # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 C ASN 163 F ASN 141 ? ASN 'GLYCOSYLATION SITE' 2 B ASN 263 B ASN 263 ? ASN 'GLYCOSYLATION SITE' # _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 trimeric _pdbx_struct_assembly.oligomeric_count 3 # _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 # 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)' 6910 ? 1 MORE -12 ? 1 'SSA (A^2)' 36670 ? # _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_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 2010-12-01 2 'Structure model' 1 1 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Version format compliance' # 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 -17.5647 -2.6166 -2.7615 0.0393 -0.1429 0.1570 0.0166 0.0102 -0.1384 -0.3978 4.0238 1.9895 -1.1091 0.6407 -0.2442 0.0018 0.0190 -0.0208 -0.0406 0.0675 0.0186 0.0541 -0.0753 -0.0199 'X-RAY DIFFRACTION' 2 ? refined -5.0016 -26.1782 -9.7570 -0.1293 -0.2063 -0.0620 0.0124 -0.0573 -0.0376 3.5442 1.1328 4.7480 -0.5755 -1.3396 0.4538 -0.0560 0.0411 0.0149 -0.1607 -0.0367 -0.0177 -0.0136 0.1299 0.2848 'X-RAY DIFFRACTION' 3 ? refined -26.4238 -25.9063 18.4808 0.0890 0.0606 -0.0545 0.0295 0.0091 0.0576 1.9639 1.3118 2.8762 -0.3928 0.1928 2.0375 0.0045 -0.0005 -0.0040 -0.0716 -0.0314 0.0370 0.0797 0.0136 -0.0424 'X-RAY DIFFRACTION' 4 ? refined 9.4330 -38.4550 -49.3014 0.0241 0.0807 -0.0877 0.1387 0.0775 -0.1202 2.9945 1.8580 1.0018 -1.6489 -1.3762 2.5185 0.0037 0.0247 -0.0284 0.1477 -0.0463 -0.0021 -0.1613 0.0252 0.0658 'X-RAY DIFFRACTION' 5 ? refined 1.2624 -14.4637 -66.2302 0.0626 0.1164 -0.2233 -0.1202 0.0716 -0.0238 -0.0667 0.8115 4.1668 -0.1679 1.7567 1.5754 0.0161 0.0242 -0.0403 0.0524 0.0501 -0.0885 -0.1028 -0.1014 0.1459 'X-RAY DIFFRACTION' 6 ? refined -15.9845 -25.3039 -37.2184 -0.0135 0.0943 -0.1550 -0.0133 -0.0105 -0.0435 2.5991 0.0000 4.0541 1.6622 -0.1728 0.8330 0.0010 0.0480 -0.0490 0.0825 0.0580 0.0822 -0.0691 0.0537 -0.1341 'X-RAY DIFFRACTION' 7 ? refined -28.2636 -31.4161 -7.3728 -0.1475 -0.1463 0.1379 0.0128 0.0043 0.0778 5.9999 1.4375 1.4334 0.8065 -1.7586 0.0809 -0.0023 0.0206 -0.0183 -0.0101 -0.0244 0.0796 0.0724 0.0813 -0.0986 'X-RAY DIFFRACTION' 8 ? refined 10.9977 -0.9201 -84.1371 0.0457 0.0194 -0.0006 -0.0207 -0.0047 -0.0056 0.0762 0.3713 0.1603 0.2690 0.1499 0.1550 0.0018 -0.0012 -0.0007 0.0002 -0.0026 0.0026 0.0102 0.0011 -0.0034 'X-RAY DIFFRACTION' 9 ? refined 22.5555 -20.0918 -80.9018 -0.0341 0.1214 -0.0339 0.0458 0.0526 -0.0166 1.5018 0.0594 0.6073 -1.0862 -1.4943 0.4948 -0.0086 -0.0135 0.0221 -0.0137 0.0109 -0.0186 0.0072 0.0200 0.0290 # 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|5:59}' ? ? ? ? ? 'X-RAY DIFFRACTION' 2 2 ? ? ? ? '{B|5:169 233:268}' ? ? ? ? ? 'X-RAY DIFFRACTION' 3 3 ? ? ? ? '{B|170:232}' ? ? ? ? ? 'X-RAY DIFFRACTION' 4 4 ? ? ? ? '{B|269:342}' ? ? ? ? ? 'X-RAY DIFFRACTION' 5 5 ? ? ? ? '{F|0-39 127:171 255:281}' ? ? ? ? ? 'X-RAY DIFFRACTION' 6 6 ? ? ? ? '{F|40:51 111:126 172:216 238:254}' ? ? ? ? ? 'X-RAY DIFFRACTION' 7 7 ? ? ? ? '{F|52:110 217:237}' ? ? ? ? ? 'X-RAY DIFFRACTION' 8 8 ? ? ? ? '{F|282:293}' ? ? ? ? ? 'X-RAY DIFFRACTION' 9 9 ? ? ? ? '{F|294:381}' ? ? ? ? ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal PHASER phasing . ? 1 BUSTER refinement 2.9.3 ? 2 XDS 'data reduction' . ? 3 SCALA 'data scaling' . ? 4 # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ALA A 11 ? ? 56.41 -73.41 2 1 CYS A 57 ? ? -124.75 -163.80 3 1 SER A 58 ? ? 62.38 91.24 4 1 ASP B 60 ? ? 78.88 -12.02 5 1 ASN B 72 ? ? 61.50 -80.97 6 1 THR B 87 ? ? -112.86 -94.22 7 1 MET B 97 ? ? -165.17 117.51 8 1 ASP B 117 ? ? -81.94 -159.77 9 1 ARG B 119 ? ? -95.04 53.99 10 1 LYS B 120 ? ? 65.13 -101.82 11 1 ILE B 121 ? ? 34.05 92.50 12 1 ASP B 132 ? ? -155.44 81.93 13 1 THR B 164 ? ? 60.57 -81.43 14 1 ASN B 202 ? ? -87.90 47.26 15 1 ASN B 207 ? ? -147.92 16.31 16 1 LEU B 210 ? ? 65.89 70.23 17 1 ASN B 231 ? ? -103.72 -66.65 18 1 HIS B 232 ? ? 61.64 -21.21 19 1 ASN B 238 ? ? -69.30 74.59 20 1 ASP B 250 ? ? -93.18 38.72 21 1 MET B 300 ? B -91.87 35.65 22 1 ALA F 98 ? ? -91.95 -95.47 23 1 GLU F 99 ? ? -57.82 50.81 24 1 THR F 126 ? ? 52.98 90.34 25 1 ASP F 158 ? ? 70.23 -1.22 26 1 LYS F 181 ? ? 54.89 -104.59 27 1 ASN F 349 ? ? -96.39 49.50 28 1 CYS F 370 ? ? 65.06 -112.85 # 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 MET 0 ? A MET 1 2 1 Y 1 A SER 1 ? A SER 2 3 1 Y 1 A LEU 2 ? A LEU 3 4 1 Y 1 A ALA 3 ? A ALA 4 5 1 Y 1 A ILE 4 ? A ILE 5 6 1 Y 1 A HIS 60 ? A HIS 61 7 1 Y 1 A ARG 61 ? A ARG 62 8 1 Y 1 A GLN 62 ? A GLN 63 9 1 Y 1 A ARG 63 ? A ARG 64 10 1 Y 1 A ARG 64 ? A ARG 65 11 1 Y 1 B SER 1 ? B SER 1 12 1 Y 1 B THR 2 ? B THR 2 13 1 Y 1 B LYS 3 ? B LYS 3 14 1 Y 1 B ASP 4 ? B ASP 4 15 1 Y 1 B SER 343 ? B SER 343 16 1 Y 1 B THR 344 ? B THR 344 17 1 Y 1 B ASN 345 ? B ASN 345 18 1 Y 1 B GLY 346 ? B GLY 346 19 1 Y 1 B THR 347 ? B THR 347 20 1 Y 1 B ALA 348 ? B ALA 348 21 1 Y 1 B HIS 349 ? B HIS 349 22 1 Y 1 B GLY 350 ? B GLY 350 23 1 Y 1 B HIS 351 ? B HIS 351 24 1 Y 1 B PRO 352 ? B PRO 352 25 1 Y 1 B HIS 353 ? B HIS 353 26 1 Y 1 B GLU 354 ? B GLU 354 27 1 Y 1 B ILE 355 ? B ILE 355 28 1 Y 1 B ILE 356 ? B ILE 356 29 1 Y 1 B LEU 357 ? B LEU 357 30 1 Y 1 B TYR 358 ? B TYR 358 31 1 Y 1 B TYR 359 ? B TYR 359 32 1 Y 1 B TYR 360 ? B TYR 360 33 1 Y 1 F GLU -21 ? C GLU 1 34 1 Y 1 F LEU -20 ? C LEU 2 35 1 Y 1 F TYR -19 ? C TYR 3 36 1 Y 1 F GLY -18 ? C GLY 4 37 1 Y 1 F GLY -17 ? C GLY 5 38 1 Y 1 F GLY -16 ? C GLY 6 39 1 Y 1 F GLY -15 ? C GLY 7 40 1 Y 1 F SER -14 ? C SER 8 41 1 Y 1 F GLY -13 ? C GLY 9 42 1 Y 1 F GLY -12 ? C GLY 10 43 1 Y 1 F GLY -11 ? C GLY 11 44 1 Y 1 F GLY -10 ? C GLY 12 45 1 Y 1 F SER -9 ? C SER 13 46 1 Y 1 F GLY -8 ? C GLY 14 47 1 Y 1 F GLY -7 ? C GLY 15 48 1 Y 1 F GLY -6 ? C GLY 16 49 1 Y 1 F GLY -5 ? C GLY 17 50 1 Y 1 F SER -4 ? C SER 18 51 1 Y 1 F GLY -3 ? C GLY 19 52 1 Y 1 F GLY -2 ? C GLY 20 53 1 Y 1 F GLY -1 ? C GLY 21 54 1 Y 1 F PRO 382 ? C PRO 404 55 1 Y 1 F PRO 383 ? C PRO 405 56 1 Y 1 F LYS 384 ? C LYS 406 57 1 Y 1 F ASP 385 ? C ASP 407 58 1 Y 1 F HIS 386 ? C HIS 408 59 1 Y 1 F ILE 387 ? C ILE 409 60 1 Y 1 F VAL 388 ? C VAL 410 61 1 Y 1 F ASN 389 ? C ASN 411 62 1 Y 1 F TYR 390 ? C TYR 412 63 1 Y 1 F PRO 391 ? C PRO 413 64 1 Y 1 F ALA 392 ? C ALA 414 65 1 Y 1 F SER 393 ? C SER 415 66 1 Y 1 F HIS 394 ? C HIS 416 67 1 Y 1 F THR 395 ? C THR 417 68 1 Y 1 F THR 396 ? C THR 418 69 1 Y 1 F LEU 397 ? C LEU 419 70 1 Y 1 F GLY 398 ? C GLY 420 71 1 Y 1 F VAL 399 ? C VAL 421 72 1 Y 1 F GLN 400 ? C GLN 422 73 1 Y 1 F ASP 401 ? C ASP 423 74 1 Y 1 F ILE 402 ? C ILE 424 75 1 Y 1 F SER 403 ? C SER 425 76 1 Y 1 F ALA 404 ? C ALA 426 77 1 Y 1 F THR 405 ? C THR 427 78 1 Y 1 F ALA 406 ? C ALA 428 79 1 Y 1 F MET 407 ? C MET 429 80 1 Y 1 F SER 408 ? C SER 430 81 1 Y 1 F TRP 409 ? C TRP 431 82 1 Y 1 F VAL 410 ? C VAL 432 83 1 Y 1 F GLN 411 ? C GLN 433 84 1 Y 1 F LYS 412 ? C LYS 434 85 1 Y 1 F GLY 413 ? C GLY 435 86 1 Y 1 F PRO 414 ? C PRO 436 87 1 Y 1 F PHE 415 ? C PHE 437 88 1 Y 1 F GLU 416 ? C GLU 438 89 1 Y 1 F ASP 417 ? C ASP 439 90 1 Y 1 F ASP 418 ? C ASP 440 91 1 Y 1 F ASP 419 ? C ASP 441 92 1 Y 1 F ASP 420 ? C ASP 442 93 1 Y 1 F LYS 421 ? C LYS 443 94 1 Y 1 F ALA 422 ? C ALA 444 95 1 Y 1 F GLY 423 ? C GLY 445 96 1 Y 1 F TRP 424 ? C TRP 446 97 1 Y 1 F SER 425 ? C SER 447 98 1 Y 1 F HIS 426 ? C HIS 448 99 1 Y 1 F PRO 427 ? C PRO 449 100 1 Y 1 F GLN 428 ? C GLN 450 101 1 Y 1 F PHE 429 ? C PHE 451 102 1 Y 1 F GLU 430 ? C GLU 452 103 1 Y 1 F LYS 431 ? C LYS 453 104 1 Y 1 F GLY 432 ? C GLY 454 105 1 Y 1 F GLY 433 ? C GLY 455 106 1 Y 1 F GLY 434 ? C GLY 456 107 1 Y 1 F SER 435 ? C SER 457 108 1 Y 1 F GLY 436 ? C GLY 458 109 1 Y 1 F GLY 437 ? C GLY 459 110 1 Y 1 F GLY 438 ? C GLY 460 111 1 Y 1 F SER 439 ? C SER 461 112 1 Y 1 F GLY 440 ? C GLY 462 113 1 Y 1 F GLY 441 ? C GLY 463 114 1 Y 1 F GLY 442 ? C GLY 464 115 1 Y 1 F SER 443 ? C SER 465 116 1 Y 1 F TRP 444 ? C TRP 466 117 1 Y 1 F SER 445 ? C SER 467 118 1 Y 1 F HIS 446 ? C HIS 468 119 1 Y 1 F PRO 447 ? C PRO 469 120 1 Y 1 F GLN 448 ? C GLN 470 121 1 Y 1 F PHE 449 ? C PHE 471 122 1 Y 1 F GLU 450 ? C GLU 472 123 1 Y 1 F LYS 451 ? C LYS 473 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 4 N-ACETYL-D-GLUCOSAMINE NAG 5 '2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE' NDG 6 water HOH # 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 D 4 NAG 1 1001 1001 NAG NAG B . E 5 NDG 2 1002 1002 NDG NDG B . F 4 NAG 1 1001 1001 NAG NAG F . G 6 HOH 1 361 1 HOH HOH B . G 6 HOH 2 362 343 HOH HOH B . G 6 HOH 3 363 344 HOH HOH B . G 6 HOH 4 364 345 HOH HOH B . G 6 HOH 5 365 346 HOH HOH B . G 6 HOH 6 366 347 HOH HOH B . G 6 HOH 7 367 348 HOH HOH B . H 6 HOH 1 452 382 HOH HOH F . H 6 HOH 2 453 383 HOH HOH F . H 6 HOH 3 454 384 HOH HOH F . H 6 HOH 4 455 385 HOH HOH F . H 6 HOH 5 456 386 HOH HOH F . H 6 HOH 6 457 387 HOH HOH F . H 6 HOH 7 458 388 HOH HOH F . H 6 HOH 8 459 389 HOH HOH F . H 6 HOH 9 460 390 HOH HOH F . H 6 HOH 10 461 391 HOH HOH F . H 6 HOH 11 462 392 HOH HOH F . H 6 HOH 12 463 393 HOH HOH F . H 6 HOH 13 464 394 HOH HOH F . H 6 HOH 14 465 395 HOH HOH F . H 6 HOH 15 466 396 HOH HOH F . H 6 HOH 16 467 397 HOH HOH F . #