data_3QUY # _entry.id 3QUY # _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 3QUY RCSB RCSB064135 WWPDB D_1000064135 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 3QUX . unspecified PDB 3QUZ . unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3QUY _pdbx_database_status.recvd_initial_deposition_date 2011-02-24 _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 'Li, Y.' 1 'Girardi, E.' 2 'Yu, E.D.' 3 'Zajonc, D.M.' 4 # _citation.id primary _citation.title 'Galactose-modified iNKT cell agonists stabilized by an induced fit of CD1d prevent tumour metastasis.' _citation.journal_abbrev 'Embo J.' _citation.journal_volume 30 _citation.page_first 2294 _citation.page_last 2305 _citation.year 2011 _citation.journal_id_ASTM EMJODG _citation.country UK _citation.journal_id_ISSN 0261-4189 _citation.journal_id_CSD 0897 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 21552205 _citation.pdbx_database_id_DOI 10.1038/emboj.2011.145 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Aspeslagh, S.' 1 primary 'Li, Y.' 2 primary 'Yu, E.D.' 3 primary 'Pauwels, N.' 4 primary 'Trappeniers, M.' 5 primary 'Girardi, E.' 6 primary 'Decruy, T.' 7 primary 'Van Beneden, K.' 8 primary 'Venken, K.' 9 primary 'Drennan, M.' 10 primary 'Leybaert, L.' 11 primary 'Wang, J.' 12 primary 'Franck, R.W.' 13 primary 'Van Calenbergh, S.' 14 primary 'Zajonc, D.M.' 15 primary 'Elewaut, D.' 16 # _cell.entry_id 3QUY _cell.length_a 78.765 _cell.length_b 192.005 _cell.length_c 150.922 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 8 _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 3QUY _symmetry.space_group_name_H-M 'C 2 2 21' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 20 _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 'Antigen-presenting glycoprotein CD1d1' 32632.668 1 ? ? 'UNP residues 19-297' ? 2 polymer man 'Beta-2 microglobulin' 11660.350 1 ? ? 'UNP residues 21-119' ? 3 polymer man 'Valpha14 (mouse variable domain, human constant domain)' 23055.621 1 ? ? ? ? 4 polymer man 'Vbeta8.2 (mouse variable domain, human constant domain)' 27026.998 1 ? ? ? ? 5 non-polymer syn N-ACETYL-D-GLUCOSAMINE 221.208 4 ? ? ? ? 6 non-polymer man ALPHA-L-FUCOSE 164.156 1 ? ? ? ? 7 non-polymer syn '(2S,3R,4S,5R,6S)-6-[(2S,3S,4R)-2-(hexacosanoylamino)-3,4-dihydroxy-octadecoxy]-3,4,5-trihydroxy-N-(phenylmethyl)oxane-2-carboxamide' 961.444 1 ? ? ? ? 8 non-polymer syn GLYCEROL 92.094 1 ? ? ? ? 9 water nat water 18.015 410 ? ? ? ? # 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 ;SEAQQKNYTFRCLQMSSFANRSWSRTDSVVWLGDLQTHRWSNDSATISFTKPWSQGKLSNQQWEKLQHMFQVYRVSFTRD IQELVKMMSPKEDYPIEIQLSAGCEMYPGNASESFLHVAFQGKYVVRFWGTSWQTVPGAPSWLDLPIKVLNADQGTSATV QMLLNDTCPLFVRGLLEAGKSDLEKQEKPVAWLSSVPSSAHGHRQLVCHVSGFYPKPVWVMWMRGDQEQQGTHRGDFLPN ADETWYLQATLDVEAGEEAGLACRVKHSSLGGQDIILYWHHHHHH ; ;SEAQQKNYTFRCLQMSSFANRSWSRTDSVVWLGDLQTHRWSNDSATISFTKPWSQGKLSNQQWEKLQHMFQVYRVSFTRD IQELVKMMSPKEDYPIEIQLSAGCEMYPGNASESFLHVAFQGKYVVRFWGTSWQTVPGAPSWLDLPIKVLNADQGTSATV QMLLNDTCPLFVRGLLEAGKSDLEKQEKPVAWLSSVPSSAHGHRQLVCHVSGFYPKPVWVMWMRGDQEQQGTHRGDFLPN ADETWYLQATLDVEAGEEAGLACRVKHSSLGGQDIILYWHHHHHH ; A ? 2 'polypeptide(L)' no no ;IQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILAHTEFTPTETDTYAC RVKHASMAEPKTVYWDRDM ; ;IQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILAHTEFTPTETDTYAC RVKHASMAEPKTVYWDRDM ; B ? 3 'polypeptide(L)' no no ;MKTQVEQSPQSLVVRQGENCVLQCNYSVTPDNHLRWFKQDTGKGLVSLTVLVDQKDKTSNGRYSATLDKDAKHSTLHITA TLLDDTATYICVVGDRGSALGRLHFGAGTQLIVIPDIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYIT DKCVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESS ; ;MKTQVEQSPQSLVVRQGENCVLQCNYSVTPDNHLRWFKQDTGKGLVSLTVLVDQKDKTSNGRYSATLDKDAKHSTLHITA TLLDDTATYICVVGDRGSALGRLHFGAGTQLIVIPDIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYIT DKCVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESS ; C ? 4 'polypeptide(L)' no no ;MEAAVTQSPRNKVAVTGGKVTLSCNQTNNHNNMYWYRQDTGHGLRLIHYSYGAGSTEKGDIPDGYKASRPSQENFSLILE LATPSQTSVYFCASGDEGYTQYFGPGTRLLVLEDLRNVTPPKVSLFEPSKAEISHTQKATLVCLATGFYPDHVELSWWVN GKEVHSGVCTDPQPLKEQPALNDSRYSLSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGR A ; ;MEAAVTQSPRNKVAVTGGKVTLSCNQTNNHNNMYWYRQDTGHGLRLIHYSYGAGSTEKGDIPDGYKASRPSQENFSLILE LATPSQTSVYFCASGDEGYTQYFGPGTRLLVLEDLRNVTPPKVSLFEPSKAEISHTQKATLVCLATGFYPDHVELSWWVN GKEVHSGVCTDPQPLKEQPALNDSRYSLSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGR A ; D ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 SER n 1 2 GLU n 1 3 ALA n 1 4 GLN n 1 5 GLN n 1 6 LYS n 1 7 ASN n 1 8 TYR n 1 9 THR n 1 10 PHE n 1 11 ARG n 1 12 CYS n 1 13 LEU n 1 14 GLN n 1 15 MET n 1 16 SER n 1 17 SER n 1 18 PHE n 1 19 ALA n 1 20 ASN n 1 21 ARG n 1 22 SER n 1 23 TRP n 1 24 SER n 1 25 ARG n 1 26 THR n 1 27 ASP n 1 28 SER n 1 29 VAL n 1 30 VAL n 1 31 TRP n 1 32 LEU n 1 33 GLY n 1 34 ASP n 1 35 LEU n 1 36 GLN n 1 37 THR n 1 38 HIS n 1 39 ARG n 1 40 TRP n 1 41 SER n 1 42 ASN n 1 43 ASP n 1 44 SER n 1 45 ALA n 1 46 THR n 1 47 ILE n 1 48 SER n 1 49 PHE n 1 50 THR n 1 51 LYS n 1 52 PRO n 1 53 TRP n 1 54 SER n 1 55 GLN n 1 56 GLY n 1 57 LYS n 1 58 LEU n 1 59 SER n 1 60 ASN n 1 61 GLN n 1 62 GLN n 1 63 TRP n 1 64 GLU n 1 65 LYS n 1 66 LEU n 1 67 GLN n 1 68 HIS n 1 69 MET n 1 70 PHE n 1 71 GLN n 1 72 VAL n 1 73 TYR n 1 74 ARG n 1 75 VAL n 1 76 SER n 1 77 PHE n 1 78 THR n 1 79 ARG n 1 80 ASP n 1 81 ILE n 1 82 GLN n 1 83 GLU n 1 84 LEU n 1 85 VAL n 1 86 LYS n 1 87 MET n 1 88 MET n 1 89 SER n 1 90 PRO n 1 91 LYS n 1 92 GLU n 1 93 ASP n 1 94 TYR n 1 95 PRO n 1 96 ILE n 1 97 GLU n 1 98 ILE n 1 99 GLN n 1 100 LEU n 1 101 SER n 1 102 ALA n 1 103 GLY n 1 104 CYS n 1 105 GLU n 1 106 MET n 1 107 TYR n 1 108 PRO n 1 109 GLY n 1 110 ASN n 1 111 ALA n 1 112 SER n 1 113 GLU n 1 114 SER n 1 115 PHE n 1 116 LEU n 1 117 HIS n 1 118 VAL n 1 119 ALA n 1 120 PHE n 1 121 GLN n 1 122 GLY n 1 123 LYS n 1 124 TYR n 1 125 VAL n 1 126 VAL n 1 127 ARG n 1 128 PHE n 1 129 TRP n 1 130 GLY n 1 131 THR n 1 132 SER n 1 133 TRP n 1 134 GLN n 1 135 THR n 1 136 VAL n 1 137 PRO n 1 138 GLY n 1 139 ALA n 1 140 PRO n 1 141 SER n 1 142 TRP n 1 143 LEU n 1 144 ASP n 1 145 LEU n 1 146 PRO n 1 147 ILE n 1 148 LYS n 1 149 VAL n 1 150 LEU n 1 151 ASN n 1 152 ALA n 1 153 ASP n 1 154 GLN n 1 155 GLY n 1 156 THR n 1 157 SER n 1 158 ALA n 1 159 THR n 1 160 VAL n 1 161 GLN n 1 162 MET n 1 163 LEU n 1 164 LEU n 1 165 ASN n 1 166 ASP n 1 167 THR n 1 168 CYS n 1 169 PRO n 1 170 LEU n 1 171 PHE n 1 172 VAL n 1 173 ARG n 1 174 GLY n 1 175 LEU n 1 176 LEU n 1 177 GLU n 1 178 ALA n 1 179 GLY n 1 180 LYS n 1 181 SER n 1 182 ASP n 1 183 LEU n 1 184 GLU n 1 185 LYS n 1 186 GLN n 1 187 GLU n 1 188 LYS n 1 189 PRO n 1 190 VAL n 1 191 ALA n 1 192 TRP n 1 193 LEU n 1 194 SER n 1 195 SER n 1 196 VAL n 1 197 PRO n 1 198 SER n 1 199 SER n 1 200 ALA n 1 201 HIS n 1 202 GLY n 1 203 HIS n 1 204 ARG n 1 205 GLN n 1 206 LEU n 1 207 VAL n 1 208 CYS n 1 209 HIS n 1 210 VAL n 1 211 SER n 1 212 GLY n 1 213 PHE n 1 214 TYR n 1 215 PRO n 1 216 LYS n 1 217 PRO n 1 218 VAL n 1 219 TRP n 1 220 VAL n 1 221 MET n 1 222 TRP n 1 223 MET n 1 224 ARG n 1 225 GLY n 1 226 ASP n 1 227 GLN n 1 228 GLU n 1 229 GLN n 1 230 GLN n 1 231 GLY n 1 232 THR n 1 233 HIS n 1 234 ARG n 1 235 GLY n 1 236 ASP n 1 237 PHE n 1 238 LEU n 1 239 PRO n 1 240 ASN n 1 241 ALA n 1 242 ASP n 1 243 GLU n 1 244 THR n 1 245 TRP n 1 246 TYR n 1 247 LEU n 1 248 GLN n 1 249 ALA n 1 250 THR n 1 251 LEU n 1 252 ASP n 1 253 VAL n 1 254 GLU n 1 255 ALA n 1 256 GLY n 1 257 GLU n 1 258 GLU n 1 259 ALA n 1 260 GLY n 1 261 LEU n 1 262 ALA n 1 263 CYS n 1 264 ARG n 1 265 VAL n 1 266 LYS n 1 267 HIS n 1 268 SER n 1 269 SER n 1 270 LEU n 1 271 GLY n 1 272 GLY n 1 273 GLN n 1 274 ASP n 1 275 ILE n 1 276 ILE n 1 277 LEU n 1 278 TYR n 1 279 TRP n 1 280 HIS n 1 281 HIS n 1 282 HIS n 1 283 HIS n 1 284 HIS n 1 285 HIS n 2 1 ILE n 2 2 GLN n 2 3 LYS n 2 4 THR n 2 5 PRO n 2 6 GLN n 2 7 ILE n 2 8 GLN n 2 9 VAL n 2 10 TYR n 2 11 SER n 2 12 ARG n 2 13 HIS n 2 14 PRO n 2 15 PRO n 2 16 GLU n 2 17 ASN n 2 18 GLY n 2 19 LYS n 2 20 PRO n 2 21 ASN n 2 22 ILE n 2 23 LEU n 2 24 ASN n 2 25 CYS n 2 26 TYR n 2 27 VAL n 2 28 THR n 2 29 GLN n 2 30 PHE n 2 31 HIS n 2 32 PRO n 2 33 PRO n 2 34 HIS n 2 35 ILE n 2 36 GLU n 2 37 ILE n 2 38 GLN n 2 39 MET n 2 40 LEU n 2 41 LYS n 2 42 ASN n 2 43 GLY n 2 44 LYS n 2 45 LYS n 2 46 ILE n 2 47 PRO n 2 48 LYS n 2 49 VAL n 2 50 GLU n 2 51 MET n 2 52 SER n 2 53 ASP n 2 54 MET n 2 55 SER n 2 56 PHE n 2 57 SER n 2 58 LYS n 2 59 ASP n 2 60 TRP n 2 61 SER n 2 62 PHE n 2 63 TYR n 2 64 ILE n 2 65 LEU n 2 66 ALA n 2 67 HIS n 2 68 THR n 2 69 GLU n 2 70 PHE n 2 71 THR n 2 72 PRO n 2 73 THR n 2 74 GLU n 2 75 THR n 2 76 ASP n 2 77 THR n 2 78 TYR n 2 79 ALA n 2 80 CYS n 2 81 ARG n 2 82 VAL n 2 83 LYS n 2 84 HIS n 2 85 ALA n 2 86 SER n 2 87 MET n 2 88 ALA n 2 89 GLU n 2 90 PRO n 2 91 LYS n 2 92 THR n 2 93 VAL n 2 94 TYR n 2 95 TRP n 2 96 ASP n 2 97 ARG n 2 98 ASP n 2 99 MET n 3 1 MET n 3 2 LYS n 3 3 THR n 3 4 GLN n 3 5 VAL n 3 6 GLU n 3 7 GLN n 3 8 SER n 3 9 PRO n 3 10 GLN n 3 11 SER n 3 12 LEU n 3 13 VAL n 3 14 VAL n 3 15 ARG n 3 16 GLN n 3 17 GLY n 3 18 GLU n 3 19 ASN n 3 20 CYS n 3 21 VAL n 3 22 LEU n 3 23 GLN n 3 24 CYS n 3 25 ASN n 3 26 TYR n 3 27 SER n 3 28 VAL n 3 29 THR n 3 30 PRO n 3 31 ASP n 3 32 ASN n 3 33 HIS n 3 34 LEU n 3 35 ARG n 3 36 TRP n 3 37 PHE n 3 38 LYS n 3 39 GLN n 3 40 ASP n 3 41 THR n 3 42 GLY n 3 43 LYS n 3 44 GLY n 3 45 LEU n 3 46 VAL n 3 47 SER n 3 48 LEU n 3 49 THR n 3 50 VAL n 3 51 LEU n 3 52 VAL n 3 53 ASP n 3 54 GLN n 3 55 LYS n 3 56 ASP n 3 57 LYS n 3 58 THR n 3 59 SER n 3 60 ASN n 3 61 GLY n 3 62 ARG n 3 63 TYR n 3 64 SER n 3 65 ALA n 3 66 THR n 3 67 LEU n 3 68 ASP n 3 69 LYS n 3 70 ASP n 3 71 ALA n 3 72 LYS n 3 73 HIS n 3 74 SER n 3 75 THR n 3 76 LEU n 3 77 HIS n 3 78 ILE n 3 79 THR n 3 80 ALA n 3 81 THR n 3 82 LEU n 3 83 LEU n 3 84 ASP n 3 85 ASP n 3 86 THR n 3 87 ALA n 3 88 THR n 3 89 TYR n 3 90 ILE n 3 91 CYS n 3 92 VAL n 3 93 VAL n 3 94 GLY n 3 95 ASP n 3 96 ARG n 3 97 GLY n 3 98 SER n 3 99 ALA n 3 100 LEU n 3 101 GLY n 3 102 ARG n 3 103 LEU n 3 104 HIS n 3 105 PHE n 3 106 GLY n 3 107 ALA n 3 108 GLY n 3 109 THR n 3 110 GLN n 3 111 LEU n 3 112 ILE n 3 113 VAL n 3 114 ILE n 3 115 PRO n 3 116 ASP n 3 117 ILE n 3 118 GLN n 3 119 ASN n 3 120 PRO n 3 121 ASP n 3 122 PRO n 3 123 ALA n 3 124 VAL n 3 125 TYR n 3 126 GLN n 3 127 LEU n 3 128 ARG n 3 129 ASP n 3 130 SER n 3 131 LYS n 3 132 SER n 3 133 SER n 3 134 ASP n 3 135 LYS n 3 136 SER n 3 137 VAL n 3 138 CYS n 3 139 LEU n 3 140 PHE n 3 141 THR n 3 142 ASP n 3 143 PHE n 3 144 ASP n 3 145 SER n 3 146 GLN n 3 147 THR n 3 148 ASN n 3 149 VAL n 3 150 SER n 3 151 GLN n 3 152 SER n 3 153 LYS n 3 154 ASP n 3 155 SER n 3 156 ASP n 3 157 VAL n 3 158 TYR n 3 159 ILE n 3 160 THR n 3 161 ASP n 3 162 LYS n 3 163 CYS n 3 164 VAL n 3 165 LEU n 3 166 ASP n 3 167 MET n 3 168 ARG n 3 169 SER n 3 170 MET n 3 171 ASP n 3 172 PHE n 3 173 LYS n 3 174 SER n 3 175 ASN n 3 176 SER n 3 177 ALA n 3 178 VAL n 3 179 ALA n 3 180 TRP n 3 181 SER n 3 182 ASN n 3 183 LYS n 3 184 SER n 3 185 ASP n 3 186 PHE n 3 187 ALA n 3 188 CYS n 3 189 ALA n 3 190 ASN n 3 191 ALA n 3 192 PHE n 3 193 ASN n 3 194 ASN n 3 195 SER n 3 196 ILE n 3 197 ILE n 3 198 PRO n 3 199 GLU n 3 200 ASP n 3 201 THR n 3 202 PHE n 3 203 PHE n 3 204 PRO n 3 205 SER n 3 206 PRO n 3 207 GLU n 3 208 SER n 3 209 SER n 4 1 MET n 4 2 GLU n 4 3 ALA n 4 4 ALA n 4 5 VAL n 4 6 THR n 4 7 GLN n 4 8 SER n 4 9 PRO n 4 10 ARG n 4 11 ASN n 4 12 LYS n 4 13 VAL n 4 14 ALA n 4 15 VAL n 4 16 THR n 4 17 GLY n 4 18 GLY n 4 19 LYS n 4 20 VAL n 4 21 THR n 4 22 LEU n 4 23 SER n 4 24 CYS n 4 25 ASN n 4 26 GLN n 4 27 THR n 4 28 ASN n 4 29 ASN n 4 30 HIS n 4 31 ASN n 4 32 ASN n 4 33 MET n 4 34 TYR n 4 35 TRP n 4 36 TYR n 4 37 ARG n 4 38 GLN n 4 39 ASP n 4 40 THR n 4 41 GLY n 4 42 HIS n 4 43 GLY n 4 44 LEU n 4 45 ARG n 4 46 LEU n 4 47 ILE n 4 48 HIS n 4 49 TYR n 4 50 SER n 4 51 TYR n 4 52 GLY n 4 53 ALA n 4 54 GLY n 4 55 SER n 4 56 THR n 4 57 GLU n 4 58 LYS n 4 59 GLY n 4 60 ASP n 4 61 ILE n 4 62 PRO n 4 63 ASP n 4 64 GLY n 4 65 TYR n 4 66 LYS n 4 67 ALA n 4 68 SER n 4 69 ARG n 4 70 PRO n 4 71 SER n 4 72 GLN n 4 73 GLU n 4 74 ASN n 4 75 PHE n 4 76 SER n 4 77 LEU n 4 78 ILE n 4 79 LEU n 4 80 GLU n 4 81 LEU n 4 82 ALA n 4 83 THR n 4 84 PRO n 4 85 SER n 4 86 GLN n 4 87 THR n 4 88 SER n 4 89 VAL n 4 90 TYR n 4 91 PHE n 4 92 CYS n 4 93 ALA n 4 94 SER n 4 95 GLY n 4 96 ASP n 4 97 GLU n 4 98 GLY n 4 99 TYR n 4 100 THR n 4 101 GLN n 4 102 TYR n 4 103 PHE n 4 104 GLY n 4 105 PRO n 4 106 GLY n 4 107 THR n 4 108 ARG n 4 109 LEU n 4 110 LEU n 4 111 VAL n 4 112 LEU n 4 113 GLU n 4 114 ASP n 4 115 LEU n 4 116 ARG n 4 117 ASN n 4 118 VAL n 4 119 THR n 4 120 PRO n 4 121 PRO n 4 122 LYS n 4 123 VAL n 4 124 SER n 4 125 LEU n 4 126 PHE n 4 127 GLU n 4 128 PRO n 4 129 SER n 4 130 LYS n 4 131 ALA n 4 132 GLU n 4 133 ILE n 4 134 SER n 4 135 HIS n 4 136 THR n 4 137 GLN n 4 138 LYS n 4 139 ALA n 4 140 THR n 4 141 LEU n 4 142 VAL n 4 143 CYS n 4 144 LEU n 4 145 ALA n 4 146 THR n 4 147 GLY n 4 148 PHE n 4 149 TYR n 4 150 PRO n 4 151 ASP n 4 152 HIS n 4 153 VAL n 4 154 GLU n 4 155 LEU n 4 156 SER n 4 157 TRP n 4 158 TRP n 4 159 VAL n 4 160 ASN n 4 161 GLY n 4 162 LYS n 4 163 GLU n 4 164 VAL n 4 165 HIS n 4 166 SER n 4 167 GLY n 4 168 VAL n 4 169 CYS n 4 170 THR n 4 171 ASP n 4 172 PRO n 4 173 GLN n 4 174 PRO n 4 175 LEU n 4 176 LYS n 4 177 GLU n 4 178 GLN n 4 179 PRO n 4 180 ALA n 4 181 LEU n 4 182 ASN n 4 183 ASP n 4 184 SER n 4 185 ARG n 4 186 TYR n 4 187 SER n 4 188 LEU n 4 189 SER n 4 190 SER n 4 191 ARG n 4 192 LEU n 4 193 ARG n 4 194 VAL n 4 195 SER n 4 196 ALA n 4 197 THR n 4 198 PHE n 4 199 TRP n 4 200 GLN n 4 201 ASN n 4 202 PRO n 4 203 ARG n 4 204 ASN n 4 205 HIS n 4 206 PHE n 4 207 ARG n 4 208 CYS n 4 209 GLN n 4 210 VAL n 4 211 GLN n 4 212 PHE n 4 213 TYR n 4 214 GLY n 4 215 LEU n 4 216 SER n 4 217 GLU n 4 218 ASN n 4 219 ASP n 4 220 GLU n 4 221 TRP n 4 222 THR n 4 223 GLN n 4 224 ASP n 4 225 ARG n 4 226 ALA n 4 227 LYS n 4 228 PRO n 4 229 VAL n 4 230 THR n 4 231 GLN n 4 232 ILE n 4 233 VAL n 4 234 SER n 4 235 ALA n 4 236 GLU n 4 237 ALA n 4 238 TRP n 4 239 GLY n 4 240 ARG n 4 241 ALA 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 ? ? ? mouse ? 'Cd1.1, CD1d, Cd1d1' ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? ? 'Spodoptera frugiperda' 7108 ? ? ? ? ? ? Sf9 ? ? ? ? ? ? ? 'baculovirus transfer vector' ? ? ? pBACp10pH ? ? 2 1 sample ? ? ? mouse ? 'B2m, beta-2-microglobulin, mCG_11606, RP23-34E24.5-001' ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? ? 'Spodoptera frugiperda' 7108 ? ? ? ? ? ? Sf9 ? ? ? ? ? ? ? 'baculovirus transfer vector' ? ? ? pBACp10pH ? ? 3 1 sample ? ? ? ? ? ? ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? ? 'Escherichia coli' 469008 ? ? ? ? ? ? BL21DE3 ? ? ? ? ? ? ? ? ? ? ? pET22b ? ? 4 1 sample ? ? ? ? ? ? ? ? ? ? ? ? 'Mus musculus' 10090 ? ? ? ? ? ? ? ? 'Escherichia coli' 469008 ? ? ? ? ? ? BL21DE3 ? ? ? ? ? ? ? ? ? ? ? pET30a ? ? # _pdbx_entity_src_syn.entity_id 5 _pdbx_entity_src_syn.pdbx_src_id 1 _pdbx_entity_src_syn.pdbx_alt_source_flag sample _pdbx_entity_src_syn.pdbx_beg_seq_num ? _pdbx_entity_src_syn.pdbx_end_seq_num ? _pdbx_entity_src_syn.organism_scientific ? _pdbx_entity_src_syn.organism_common_name ? _pdbx_entity_src_syn.ncbi_taxonomy_id ? _pdbx_entity_src_syn.details glycosphingolipid # 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 CD1D1_MOUSE P11609 1 ;SEAQQKNYTFRCLQMSSFANRSWSRTDSVVWLGDLQTHRWSNDSATISFTKPWSQGKLSNQQWEKLQHMFQVYRVSFTRD IQELVKMMSPKEDYPIEIQLSAGCEMYPGNASESFLHVAFQGKYVVRFWGTSWQTVPGAPSWLDLPIKVLNADQGTSATV QMLLNDTCPLFVRGLLEAGKSDLEKQEKPVAWLSSVPSSADGHRQLVCHVSGFYPKPVWVMWMRGDQEQQGTHRGDFLPN ADETWYLQATLDVEAGEEAGLACRVKHSSLGGQDIILYW ; 19 ? 2 UNP Q91XJ8_MOUSE Q91XJ8 2 ;IQKTPQIQVYSRHPPENGKPNILNCYVTQFHPPHIEIQMLKNGKKIPKVEMSDMSFSKDWSFYILAHTEFTPTETDTYAC RVKHASMAEPKTVYWDRDM ; 21 ? 3 PDB 3QUY 3QUY 3 ;MKTQVEQSPQSLVVRQGENCVLQCNYSVTPDNHLRWFKQDTGKGLVSLTVLVDQKDKTSNGRYSATLDKDAKHSTLHITA TLLDDTATYICVVGDRGSALGRLHFGAGTQLIVIPDIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYIT DKCVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSPESS ; ? ? 4 PDB 3QUY 3QUY 4 ;MEAAVTQSPRNKVAVTGGKVTLSCNQTNNHNNMYWYRQDTGHGLRLIHYSYGAGSTEKGDIPDGYKASRPSQENFSLILE LATPSQTSVYFCASGDEGYTQYFGPGTRLLVLEDLRNVTPPKVSLFEPSKAEISHTQKATLVCLATGFYPDHVELSWWVN GKEVHSGVCTDPQPLKEQPALNDSRYSLSSRLRVSATFWQNPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGR A ; ? ? # 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 3QUY A 1 ? 279 ? P11609 19 ? 297 ? 1 279 2 2 3QUY B 1 ? 99 ? Q91XJ8 21 ? 119 ? 1 99 3 3 3QUY C 1 ? 209 ? 3QUY -1 ? 210 ? -1 210 4 4 3QUY D 1 ? 241 ? 3QUY 0 ? 240 ? 0 240 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 3QUY HIS A 201 ? UNP P11609 ASP 219 'SEE REMARK 999' 201 1 1 3QUY HIS A 280 ? UNP P11609 ? ? 'EXPRESSION TAG' 280 2 1 3QUY HIS A 281 ? UNP P11609 ? ? 'EXPRESSION TAG' 281 3 1 3QUY HIS A 282 ? UNP P11609 ? ? 'EXPRESSION TAG' 282 4 1 3QUY HIS A 283 ? UNP P11609 ? ? 'EXPRESSION TAG' 283 5 1 3QUY HIS A 284 ? UNP P11609 ? ? 'EXPRESSION TAG' 284 6 1 3QUY HIS A 285 ? UNP P11609 ? ? 'EXPRESSION TAG' 285 7 # 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 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 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 GOL non-polymer . GLYCEROL 'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3' 92.094 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 QUY non-polymer . '(2S,3R,4S,5R,6S)-6-[(2S,3S,4R)-2-(hexacosanoylamino)-3,4-dihydroxy-octadecoxy]-3,4,5-trihydroxy-N-(phenylmethyl)oxane-2-carboxamide' ? 'C57 H104 N2 O9' 961.444 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 3QUY _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 3.02 _exptl_crystal.density_percent_sol 59.31 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.temp 295 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 5.5 _exptl_crystal_grow.pdbx_details '17% polyethylene glycol 4000, 0.1 M citrate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 295K' _exptl_crystal_grow.pdbx_pH_range ? # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 315r' _diffrn_detector.pdbx_collection_date 2010-07-24 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator 'side scattering I-beam bent single crystal, asymmetric cut 4.9650 deg.' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.976 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'SSRL BEAMLINE BL7-1' _diffrn_source.pdbx_synchrotron_site SSRL _diffrn_source.pdbx_synchrotron_beamline BL7-1 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.976 # _reflns.entry_id 3QUY _reflns.observed_criterion_sigma_I 0 _reflns.observed_criterion_sigma_F 0 _reflns.d_resolution_low 50 _reflns.d_resolution_high 2.25 _reflns.number_obs 53289 _reflns.number_all 53557 _reflns.percent_possible_obs 99.5 _reflns.pdbx_Rmerge_I_obs 0.09 _reflns.pdbx_netI_over_sigmaI 19.5 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 3.6 _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_Rsym_value ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 2.25 _reflns_shell.d_res_low 2.31 _reflns_shell.percent_possible_all 99.8 _reflns_shell.Rmerge_I_obs 0.572 _reflns_shell.pdbx_Rsym_value ? _reflns_shell.meanI_over_sigI_obs 2.1 _reflns_shell.pdbx_redundancy 3.6 _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_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 3QUY _refine.ls_number_reflns_obs 53289 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 35.35 _refine.ls_d_res_high 2.25 _refine.ls_percent_reflns_obs 99.65 _refine.ls_R_factor_obs 0.19037 _refine.ls_R_factor_R_work 0.18952 _refine.ls_R_factor_R_free 0.23073 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 2.0 _refine.ls_number_reflns_R_free 1112 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.951 _refine.correlation_coeff_Fo_to_Fc_free 0.929 _refine.B_iso_mean 40.574 _refine.aniso_B[1][1] 0.00 _refine.aniso_B[2][2] -0.02 _refine.aniso_B[3][3] 0.01 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] -0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details MASK _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.40 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 'PDB entries 2QY7, 3HE6' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R_Free 0.188 _refine.overall_SU_ML 0.135 _refine.overall_SU_B 12.025 _refine.overall_SU_R_Cruickshank_DPI ? _refine.ls_redundancy_reflns_obs ? _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_overall_phase_error ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.ls_R_factor_all ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 6262 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 140 _refine_hist.number_atoms_solvent 410 _refine_hist.number_atoms_total 6812 _refine_hist.d_res_high 2.25 _refine_hist.d_res_low 35.35 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.012 0.021 ? 6639 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.349 1.951 ? 9058 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.376 5.000 ? 813 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 34.464 24.096 ? 293 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 13.553 15.000 ? 989 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 14.274 15.000 ? 33 'X-RAY DIFFRACTION' ? r_chiral_restr 0.087 0.200 ? 999 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.006 0.021 ? 5081 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 0.560 1.500 ? 4061 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 1.067 2.000 ? 6553 'X-RAY DIFFRACTION' ? r_scbond_it 1.853 3.000 ? 2578 'X-RAY DIFFRACTION' ? r_scangle_it 2.953 4.500 ? 2505 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 2.250 _refine_ls_shell.d_res_low 2.308 _refine_ls_shell.number_reflns_R_work 3884 _refine_ls_shell.R_factor_R_work 0.251 _refine_ls_shell.percent_reflns_obs 99.45 _refine_ls_shell.R_factor_R_free 0.278 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 84 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 3QUY _struct.title ;Structure of the mouse CD1d-BnNH-GSL-1'-iNKT TCR complex ; _struct.pdbx_descriptor ;Antigen-presenting glycoprotein CD1d1, Beta-2 microglobulin, Valpha14 (mouse variable domain, human constant domain), Vbeta8.2 (mouse variable domain, human constant domain) ; _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3QUY _struct_keywords.pdbx_keywords 'IMMUNE SYSTEM' _struct_keywords.text 'antigen presentation, glycolipid, NKT cells, IMMUNE SYSTEM' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 3 ? D N N 4 ? E N N 5 ? F N N 5 ? G N N 5 ? H N N 5 ? I N N 6 ? J N N 7 ? K N N 8 ? L N N 9 ? M N N 9 ? N N N 9 ? O N N 9 ? # _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 SER A 59 ? SER A 89 ? SER A 59 SER A 89 1 ? 31 HELX_P HELX_P2 2 PRO A 140 ? TRP A 142 ? PRO A 140 TRP A 142 5 ? 3 HELX_P HELX_P3 3 LEU A 143 ? ALA A 152 ? LEU A 143 ALA A 152 1 ? 10 HELX_P HELX_P4 4 ASP A 153 ? ASP A 166 ? ASP A 153 ASP A 166 1 ? 14 HELX_P HELX_P5 5 ASP A 166 ? GLY A 179 ? ASP A 166 GLY A 179 1 ? 14 HELX_P HELX_P6 6 GLY A 179 ? GLU A 184 ? GLY A 179 GLU A 184 1 ? 6 HELX_P HELX_P7 7 HIS A 267 ? GLY A 271 ? HIS A 267 GLY A 271 5 ? 5 HELX_P HELX_P8 8 LEU C 82 ? THR C 86 ? LEU C 81 THR C 85 5 ? 5 HELX_P HELX_P9 9 ARG C 168 ? ASP C 171 ? ARG C 169 ASP C 172 5 ? 4 HELX_P HELX_P10 10 ALA C 187 ? PHE C 192 ? ALA C 188 PHE C 193 1 ? 6 HELX_P HELX_P11 11 THR D 83 ? THR D 87 ? THR D 82 THR D 86 5 ? 5 HELX_P HELX_P12 12 SER D 129 ? GLN D 137 ? SER D 128 GLN D 136 1 ? 9 HELX_P HELX_P13 13 ALA D 196 ? GLN D 200 ? ALA D 195 GLN D 199 1 ? 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 104 SG ? ? ? 1_555 A CYS 168 SG ? ? A CYS 104 A CYS 168 1_555 ? ? ? ? ? ? ? 2.105 ? disulf2 disulf ? ? A CYS 208 SG ? ? ? 1_555 A CYS 263 SG ? ? A CYS 208 A CYS 263 1_555 ? ? ? ? ? ? ? 2.023 ? disulf3 disulf ? ? B CYS 25 SG ? ? ? 1_555 B CYS 80 SG ? ? B CYS 25 B CYS 80 1_555 ? ? ? ? ? ? ? 2.048 ? disulf4 disulf ? ? C CYS 24 SG ? ? ? 1_555 C CYS 91 SG ? ? C CYS 22 C CYS 90 1_555 ? ? ? ? ? ? ? 2.045 ? disulf5 disulf ? ? C CYS 138 SG ? ? ? 1_555 C CYS 188 SG ? ? C CYS 139 C CYS 189 1_555 ? ? ? ? ? ? ? 2.065 ? disulf6 disulf ? ? C CYS 163 SG A ? ? 1_555 D CYS 169 SG A ? C CYS 164 D CYS 168 1_555 ? ? ? ? ? ? ? 2.023 ? disulf7 disulf ? ? C CYS 163 SG B ? ? 1_555 D CYS 169 SG B ? C CYS 164 D CYS 168 1_555 ? ? ? ? ? ? ? 2.055 ? disulf8 disulf ? ? D CYS 24 SG ? ? ? 1_555 D CYS 92 SG ? ? D CYS 23 D CYS 91 1_555 ? ? ? ? ? ? ? 1.977 ? disulf9 disulf ? ? D CYS 143 SG ? ? ? 1_555 D CYS 208 SG ? ? D CYS 142 D CYS 207 1_555 ? ? ? ? ? ? ? 2.008 ? covale1 covale ? ? G NAG . O4 ? ? ? 1_555 H NAG . C1 ? ? A NAG 288 A NAG 289 1_555 ? ? ? ? ? ? ? 1.426 ? covale2 covale ? ? A ASN 165 ND2 ? ? ? 1_555 G NAG . C1 ? ? A ASN 165 A NAG 288 1_555 ? ? ? ? ? ? ? 1.430 ? covale3 covale ? ? A ASN 42 ND2 ? ? ? 1_555 F NAG . C1 ? ? A ASN 42 A NAG 287 1_555 ? ? ? ? ? ? ? 1.453 ? covale4 covale ? ? A ASN 20 ND2 ? ? ? 1_555 E NAG . C1 ? ? A ASN 20 A NAG 286 1_555 ? ? ? ? ? ? ? 1.455 ? covale5 covale ? ? G NAG . O6 ? ? ? 1_555 I FUC . C1 ? ? A NAG 288 A FUC 290 1_555 ? ? ? ? ? ? ? 1.456 ? # 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 SER 89 A . ? SER 89 A PRO 90 A ? PRO 90 A 1 1.65 2 TYR 94 A . ? TYR 94 A PRO 95 A ? PRO 95 A 1 -2.00 3 TYR 214 A . ? TYR 214 A PRO 215 A ? PRO 215 A 1 -0.42 4 HIS 31 B . ? HIS 31 B PRO 32 B ? PRO 32 B 1 3.31 5 SER 8 C . ? SER 6 C PRO 9 C ? PRO 7 C 1 -6.34 6 THR 29 C . ? THR 27 C PRO 30 C ? PRO 28 C 1 -7.19 7 SER 8 D . ? SER 7 D PRO 9 D ? PRO 8 D 1 -9.29 8 TYR 149 D . ? TYR 148 D PRO 150 D ? PRO 149 D 1 -7.07 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 8 ? B ? 4 ? C ? 4 ? D ? 4 ? E ? 4 ? F ? 4 ? G ? 4 ? H ? 5 ? I ? 5 ? J ? 4 ? K ? 8 ? L ? 8 ? M ? 4 ? N ? 6 ? O ? 4 ? P ? 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 A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel A 5 6 ? anti-parallel A 6 7 ? anti-parallel A 7 8 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? 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 D 3 4 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 3 4 ? anti-parallel F 1 2 ? anti-parallel F 2 3 ? anti-parallel F 3 4 ? anti-parallel G 1 2 ? anti-parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel H 1 2 ? anti-parallel H 2 3 ? anti-parallel H 3 4 ? anti-parallel H 4 5 ? anti-parallel I 1 2 ? parallel I 2 3 ? anti-parallel I 3 4 ? anti-parallel I 4 5 ? anti-parallel J 1 2 ? parallel J 2 3 ? anti-parallel J 3 4 ? anti-parallel K 1 2 ? anti-parallel K 2 3 ? anti-parallel K 3 4 ? anti-parallel K 4 5 ? anti-parallel K 5 6 ? anti-parallel K 6 7 ? anti-parallel K 7 8 ? anti-parallel L 1 2 ? anti-parallel L 2 3 ? anti-parallel L 3 4 ? anti-parallel L 4 5 ? anti-parallel L 5 6 ? anti-parallel L 6 7 ? anti-parallel L 7 8 ? anti-parallel M 1 2 ? anti-parallel M 2 3 ? anti-parallel M 3 4 ? anti-parallel N 1 2 ? parallel N 2 3 ? anti-parallel N 3 4 ? anti-parallel N 4 5 ? anti-parallel N 5 6 ? anti-parallel O 1 2 ? parallel O 2 3 ? anti-parallel O 3 4 ? anti-parallel P 1 2 ? anti-parallel P 2 3 ? anti-parallel P 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 SER A 48 ? PHE A 49 ? SER A 48 PHE A 49 A 2 LEU A 35 ? TRP A 40 ? LEU A 35 TRP A 40 A 3 SER A 24 ? LEU A 32 ? SER A 24 LEU A 32 A 4 TYR A 8 ? PHE A 18 ? TYR A 8 PHE A 18 A 5 ILE A 96 ? MET A 106 ? ILE A 96 MET A 106 A 6 SER A 112 ? PHE A 120 ? SER A 112 PHE A 120 A 7 LYS A 123 ? TRP A 129 ? LYS A 123 TRP A 129 A 8 SER A 132 ? THR A 135 ? SER A 132 THR A 135 B 1 VAL A 190 ? VAL A 196 ? VAL A 190 VAL A 196 B 2 GLN A 205 ? PHE A 213 ? GLN A 205 PHE A 213 B 3 TRP A 245 ? ASP A 252 ? TRP A 245 ASP A 252 B 4 HIS A 233 ? ARG A 234 ? HIS A 233 ARG A 234 C 1 VAL A 190 ? VAL A 196 ? VAL A 190 VAL A 196 C 2 GLN A 205 ? PHE A 213 ? GLN A 205 PHE A 213 C 3 TRP A 245 ? ASP A 252 ? TRP A 245 ASP A 252 C 4 LEU A 238 ? PRO A 239 ? LEU A 238 PRO A 239 D 1 GLN A 227 ? GLU A 228 ? GLN A 227 GLU A 228 D 2 TRP A 219 ? ARG A 224 ? TRP A 219 ARG A 224 D 3 LEU A 261 ? LYS A 266 ? LEU A 261 LYS A 266 D 4 ILE A 275 ? TYR A 278 ? ILE A 275 TYR A 278 E 1 GLN B 6 ? SER B 11 ? GLN B 6 SER B 11 E 2 ASN B 21 ? PHE B 30 ? ASN B 21 PHE B 30 E 3 PHE B 62 ? PHE B 70 ? PHE B 62 PHE B 70 E 4 GLU B 50 ? MET B 51 ? GLU B 50 MET B 51 F 1 GLN B 6 ? SER B 11 ? GLN B 6 SER B 11 F 2 ASN B 21 ? PHE B 30 ? ASN B 21 PHE B 30 F 3 PHE B 62 ? PHE B 70 ? PHE B 62 PHE B 70 F 4 SER B 55 ? PHE B 56 ? SER B 55 PHE B 56 G 1 LYS B 44 ? LYS B 45 ? LYS B 44 LYS B 45 G 2 GLU B 36 ? LYS B 41 ? GLU B 36 LYS B 41 G 3 TYR B 78 ? LYS B 83 ? TYR B 78 LYS B 83 G 4 LYS B 91 ? TYR B 94 ? LYS B 91 TYR B 94 H 1 VAL C 5 ? SER C 8 ? VAL C 3 SER C 6 H 2 CYS C 20 ? TYR C 26 ? CYS C 18 TYR C 24 H 3 HIS C 73 ? ILE C 78 ? HIS C 72 ILE C 77 H 4 TYR C 63 ? ASP C 68 ? TYR C 62 ASP C 67 H 5 LYS C 55 ? ASN C 60 ? LYS C 53 ASN C 58 I 1 SER C 11 ? ARG C 15 ? SER C 9 ARG C 13 I 2 THR C 109 ? ILE C 114 ? THR C 110 ILE C 115 I 3 ALA C 87 ? GLY C 94 ? ALA C 86 GLY C 93 I 4 HIS C 33 ? GLN C 39 ? HIS C 31 GLN C 37 I 5 VAL C 46 ? LEU C 51 ? VAL C 44 LEU C 49 J 1 SER C 11 ? ARG C 15 ? SER C 9 ARG C 13 J 2 THR C 109 ? ILE C 114 ? THR C 110 ILE C 115 J 3 ALA C 87 ? GLY C 94 ? ALA C 86 GLY C 93 J 4 LEU C 103 ? PHE C 105 ? LEU C 104 PHE C 106 K 1 VAL C 157 ? ILE C 159 ? VAL C 158 ILE C 160 K 2 PHE C 172 ? SER C 181 ? PHE C 173 SER C 182 K 3 SER C 136 ? THR C 141 ? SER C 137 THR C 142 K 4 ALA C 123 ? ASP C 129 ? ALA C 124 ASP C 130 K 5 LYS D 122 ? GLU D 127 ? LYS D 121 GLU D 126 K 6 LYS D 138 ? PHE D 148 ? LYS D 137 PHE D 147 K 7 TYR D 186 ? SER D 195 ? TYR D 185 SER D 194 K 8 VAL D 168 ? THR D 170 ? VAL D 167 THR D 169 L 1 CYS C 163 ? MET C 167 ? CYS C 164 MET C 168 L 2 PHE C 172 ? SER C 181 ? PHE C 173 SER C 182 L 3 SER C 136 ? THR C 141 ? SER C 137 THR C 142 L 4 ALA C 123 ? ASP C 129 ? ALA C 124 ASP C 130 L 5 LYS D 122 ? GLU D 127 ? LYS D 121 GLU D 126 L 6 LYS D 138 ? PHE D 148 ? LYS D 137 PHE D 147 L 7 TYR D 186 ? SER D 195 ? TYR D 185 SER D 194 L 8 LEU D 175 ? LYS D 176 ? LEU D 174 LYS D 175 M 1 VAL D 5 ? SER D 8 ? VAL D 4 SER D 7 M 2 VAL D 20 ? GLN D 26 ? VAL D 19 GLN D 25 M 3 ASN D 74 ? LEU D 79 ? ASN D 73 LEU D 78 M 4 LYS D 66 ? SER D 68 ? LYS D 65 SER D 67 N 1 ASN D 11 ? VAL D 15 ? ASN D 10 VAL D 14 N 2 THR D 107 ? LEU D 112 ? THR D 106 LEU D 111 N 3 SER D 88 ? GLY D 95 ? SER D 87 GLY D 94 N 4 ASN D 32 ? GLN D 38 ? ASN D 31 GLN D 37 N 5 ARG D 45 ? SER D 50 ? ARG D 44 SER D 49 N 6 GLU D 57 ? LYS D 58 ? GLU D 56 LYS D 57 O 1 ASN D 11 ? VAL D 15 ? ASN D 10 VAL D 14 O 2 THR D 107 ? LEU D 112 ? THR D 106 LEU D 111 O 3 SER D 88 ? GLY D 95 ? SER D 87 GLY D 94 O 4 TYR D 102 ? PHE D 103 ? TYR D 101 PHE D 102 P 1 LYS D 162 ? VAL D 164 ? LYS D 161 VAL D 163 P 2 VAL D 153 ? VAL D 159 ? VAL D 152 VAL D 158 P 3 HIS D 205 ? PHE D 212 ? HIS D 204 PHE D 211 P 4 GLN D 231 ? TRP D 238 ? GLN D 230 TRP D 237 # 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 O SER A 48 ? O SER A 48 N ARG A 39 ? N ARG A 39 A 2 3 O TRP A 40 ? O TRP A 40 N SER A 28 ? N SER A 28 A 3 4 O VAL A 29 ? O VAL A 29 N LEU A 13 ? N LEU A 13 A 4 5 N CYS A 12 ? N CYS A 12 O ALA A 102 ? O ALA A 102 A 5 6 N GLN A 99 ? N GLN A 99 O ALA A 119 ? O ALA A 119 A 6 7 N VAL A 118 ? N VAL A 118 O VAL A 126 ? O VAL A 126 A 7 8 N ARG A 127 ? N ARG A 127 O GLN A 134 ? O GLN A 134 B 1 2 N TRP A 192 ? N TRP A 192 O HIS A 209 ? O HIS A 209 B 2 3 N VAL A 210 ? N VAL A 210 O LEU A 247 ? O LEU A 247 B 3 4 O THR A 250 ? O THR A 250 N HIS A 233 ? N HIS A 233 C 1 2 N TRP A 192 ? N TRP A 192 O HIS A 209 ? O HIS A 209 C 2 3 N VAL A 210 ? N VAL A 210 O LEU A 247 ? O LEU A 247 C 3 4 O TYR A 246 ? O TYR A 246 N LEU A 238 ? N LEU A 238 D 1 2 O GLN A 227 ? O GLN A 227 N ARG A 224 ? N ARG A 224 D 2 3 N MET A 223 ? N MET A 223 O ALA A 262 ? O ALA A 262 D 3 4 N VAL A 265 ? N VAL A 265 O ILE A 275 ? O ILE A 275 E 1 2 N TYR B 10 ? N TYR B 10 O ASN B 24 ? O ASN B 24 E 2 3 N LEU B 23 ? N LEU B 23 O THR B 68 ? O THR B 68 E 3 4 O HIS B 67 ? O HIS B 67 N GLU B 50 ? N GLU B 50 F 1 2 N TYR B 10 ? N TYR B 10 O ASN B 24 ? O ASN B 24 F 2 3 N LEU B 23 ? N LEU B 23 O THR B 68 ? O THR B 68 F 3 4 O TYR B 63 ? O TYR B 63 N SER B 55 ? N SER B 55 G 1 2 O LYS B 44 ? O LYS B 44 N LYS B 41 ? N LYS B 41 G 2 3 N LEU B 40 ? N LEU B 40 O ALA B 79 ? O ALA B 79 G 3 4 N VAL B 82 ? N VAL B 82 O LYS B 91 ? O LYS B 91 H 1 2 N GLU C 6 ? N GLU C 4 O ASN C 25 ? O ASN C 23 H 2 3 N LEU C 22 ? N LEU C 20 O LEU C 76 ? O LEU C 75 H 3 4 O HIS C 77 ? O HIS C 76 N SER C 64 ? N SER C 63 H 4 5 O TYR C 63 ? O TYR C 62 N ASN C 60 ? N ASN C 58 I 1 2 N VAL C 14 ? N VAL C 12 O ILE C 114 ? O ILE C 115 I 2 3 O LEU C 111 ? O LEU C 112 N ALA C 87 ? N ALA C 86 I 3 4 O VAL C 92 ? O VAL C 91 N ARG C 35 ? N ARG C 33 I 4 5 N LYS C 38 ? N LYS C 36 O VAL C 46 ? O VAL C 44 J 1 2 N VAL C 14 ? N VAL C 12 O ILE C 114 ? O ILE C 115 J 2 3 O LEU C 111 ? O LEU C 112 N ALA C 87 ? N ALA C 86 J 3 4 N VAL C 93 ? N VAL C 92 O HIS C 104 ? O HIS C 105 K 1 2 N TYR C 158 ? N TYR C 159 O TRP C 180 ? O TRP C 181 K 2 3 O ALA C 179 ? O ALA C 180 N CYS C 138 ? N CYS C 139 K 3 4 O LEU C 139 ? O LEU C 140 N TYR C 125 ? N TYR C 126 K 4 5 N ARG C 128 ? N ARG C 129 O GLU D 127 ? O GLU D 126 K 5 6 N PHE D 126 ? N PHE D 125 O VAL D 142 ? O VAL D 141 K 6 7 N LEU D 141 ? N LEU D 140 O LEU D 192 ? O LEU D 191 K 7 8 O ARG D 191 ? O ARG D 190 N CYS D 169 ? N CYS D 168 L 1 2 N MET C 167 ? N MET C 168 O PHE C 172 ? O PHE C 173 L 2 3 O ALA C 179 ? O ALA C 180 N CYS C 138 ? N CYS C 139 L 3 4 O LEU C 139 ? O LEU C 140 N TYR C 125 ? N TYR C 126 L 4 5 N ARG C 128 ? N ARG C 129 O GLU D 127 ? O GLU D 126 L 5 6 N PHE D 126 ? N PHE D 125 O VAL D 142 ? O VAL D 141 L 6 7 N LEU D 141 ? N LEU D 140 O LEU D 192 ? O LEU D 191 L 7 8 O SER D 187 ? O SER D 186 N LEU D 175 ? N LEU D 174 M 1 2 N SER D 8 ? N SER D 7 O SER D 23 ? O SER D 22 M 2 3 N VAL D 20 ? N VAL D 19 O LEU D 79 ? O LEU D 78 M 3 4 O ILE D 78 ? O ILE D 77 N LYS D 66 ? N LYS D 65 N 1 2 N ALA D 14 ? N ALA D 13 O LEU D 110 ? O LEU D 109 N 2 3 O THR D 107 ? O THR D 106 N TYR D 90 ? N TYR D 89 N 3 4 O VAL D 89 ? O VAL D 88 N GLN D 38 ? N GLN D 37 N 4 5 N TRP D 35 ? N TRP D 34 O HIS D 48 ? O HIS D 47 N 5 6 N TYR D 49 ? N TYR D 48 O GLU D 57 ? O GLU D 56 O 1 2 N ALA D 14 ? N ALA D 13 O LEU D 110 ? O LEU D 109 O 2 3 O THR D 107 ? O THR D 106 N TYR D 90 ? N TYR D 89 O 3 4 N SER D 94 ? N SER D 93 O TYR D 102 ? O TYR D 101 P 1 2 O LYS D 162 ? O LYS D 161 N VAL D 159 ? N VAL D 158 P 2 3 N SER D 156 ? N SER D 155 O GLN D 209 ? O GLN D 208 P 3 4 N PHE D 212 ? N PHE D 211 O GLN D 231 ? O GLN D 230 # 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 ? ? ? ? 3 'BINDING SITE FOR RESIDUE NAG A 286' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 287' AC3 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG A 288' AC4 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG A 289' AC5 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE FUC A 290' AC6 Software ? ? ? ? 17 'BINDING SITE FOR RESIDUE QUY A 291' AC7 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE GOL D 241' # 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 3 ALA A 19 ? ALA A 19 . ? 1_555 ? 2 AC1 3 ASN A 20 ? ASN A 20 . ? 1_555 ? 3 AC1 3 TRP A 23 ? TRP A 23 . ? 1_555 ? 4 AC2 4 TRP A 23 ? TRP A 23 . ? 1_555 ? 5 AC2 4 SER A 24 ? SER A 24 . ? 1_555 ? 6 AC2 4 ASN A 42 ? ASN A 42 . ? 1_555 ? 7 AC2 4 HOH L . ? HOH A 336 . ? 1_555 ? 8 AC3 6 GLY A 130 ? GLY A 130 . ? 1_555 ? 9 AC3 6 GLN A 161 ? GLN A 161 . ? 1_555 ? 10 AC3 6 ASN A 165 ? ASN A 165 . ? 1_555 ? 11 AC3 6 NAG H . ? NAG A 289 . ? 1_555 ? 12 AC3 6 FUC I . ? FUC A 290 . ? 1_555 ? 13 AC3 6 HOH L . ? HOH A 339 . ? 1_555 ? 14 AC4 4 TRP A 129 ? TRP A 129 . ? 1_555 ? 15 AC4 4 GLY A 130 ? GLY A 130 . ? 1_555 ? 16 AC4 4 THR A 131 ? THR A 131 . ? 1_555 ? 17 AC4 4 NAG G . ? NAG A 288 . ? 1_555 ? 18 AC5 4 SER A 114 ? SER A 114 . ? 1_555 ? 19 AC5 4 GLY A 130 ? GLY A 130 . ? 1_555 ? 20 AC5 4 ASN A 165 ? ASN A 165 . ? 1_555 ? 21 AC5 4 NAG G . ? NAG A 288 . ? 1_555 ? 22 AC6 17 SER A 28 ? SER A 28 . ? 1_555 ? 23 AC6 17 MET A 69 ? MET A 69 . ? 1_555 ? 24 AC6 17 TYR A 73 ? TYR A 73 . ? 1_555 ? 25 AC6 17 SER A 76 ? SER A 76 . ? 1_555 ? 26 AC6 17 ASP A 80 ? ASP A 80 . ? 1_555 ? 27 AC6 17 ILE A 81 ? ILE A 81 . ? 1_555 ? 28 AC6 17 LEU A 100 ? LEU A 100 . ? 1_555 ? 29 AC6 17 ASP A 153 ? ASP A 153 . ? 1_555 ? 30 AC6 17 GLY A 155 ? GLY A 155 . ? 1_555 ? 31 AC6 17 THR A 156 ? THR A 156 . ? 1_555 ? 32 AC6 17 THR A 159 ? THR A 159 . ? 1_555 ? 33 AC6 17 HOH L . ? HOH A 369 . ? 1_555 ? 34 AC6 17 HOH L . ? HOH A 373 . ? 1_555 ? 35 AC6 17 PRO C 30 ? PRO C 28 . ? 1_555 ? 36 AC6 17 ASN C 32 ? ASN C 30 . ? 1_555 ? 37 AC6 17 ARG C 96 ? ARG C 95 . ? 1_555 ? 38 AC6 17 GLY C 97 ? GLY C 96 . ? 1_555 ? 39 AC7 4 GLY D 98 ? GLY D 97 . ? 1_555 ? 40 AC7 4 TYR D 99 ? TYR D 98 . ? 1_555 ? 41 AC7 4 THR D 100 ? THR D 99 . ? 1_555 ? 42 AC7 4 HOH O . ? HOH D 353 . ? 1_555 ? # _database_PDB_matrix.entry_id 3QUY _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 3QUY _atom_sites.fract_transf_matrix[1][1] 0.012696 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] -0.000000 _atom_sites.fract_transf_matrix[2][2] 0.005208 _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] 0.006626 _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 . LYS A 1 6 ? 41.792 -2.707 -18.623 1.00 62.72 ? 6 LYS A N 1 ATOM 2 C CA . LYS A 1 6 ? 40.383 -3.094 -18.283 1.00 63.49 ? 6 LYS A CA 1 ATOM 3 C C . LYS A 1 6 ? 39.476 -1.862 -18.011 1.00 61.14 ? 6 LYS A C 1 ATOM 4 O O . LYS A 1 6 ? 38.564 -1.587 -18.808 1.00 60.65 ? 6 LYS A O 1 ATOM 5 C CB . LYS A 1 6 ? 40.349 -4.113 -17.131 1.00 66.10 ? 6 LYS A CB 1 ATOM 6 N N . ASN A 1 7 ? 39.736 -1.123 -16.923 1.00 59.33 ? 7 ASN A N 1 ATOM 7 C CA . ASN A 1 7 ? 38.993 0.111 -16.601 1.00 56.71 ? 7 ASN A CA 1 ATOM 8 C C . ASN A 1 7 ? 39.618 1.349 -17.253 1.00 53.34 ? 7 ASN A C 1 ATOM 9 O O . ASN A 1 7 ? 40.839 1.529 -17.196 1.00 53.54 ? 7 ASN A O 1 ATOM 10 C CB . ASN A 1 7 ? 38.900 0.336 -15.073 1.00 57.72 ? 7 ASN A CB 1 ATOM 11 C CG . ASN A 1 7 ? 38.179 -0.796 -14.349 1.00 61.31 ? 7 ASN A CG 1 ATOM 12 O OD1 . ASN A 1 7 ? 37.234 -1.384 -14.881 1.00 63.90 ? 7 ASN A OD1 1 ATOM 13 N ND2 . ASN A 1 7 ? 38.626 -1.110 -13.130 1.00 62.82 ? 7 ASN A ND2 1 ATOM 14 N N . TYR A 1 8 ? 38.795 2.194 -17.871 1.00 49.60 ? 8 TYR A N 1 ATOM 15 C CA . TYR A 1 8 ? 39.311 3.401 -18.511 1.00 45.86 ? 8 TYR A CA 1 ATOM 16 C C . TYR A 1 8 ? 38.630 4.637 -17.945 1.00 43.79 ? 8 TYR A C 1 ATOM 17 O O . TYR A 1 8 ? 37.396 4.669 -17.803 1.00 44.33 ? 8 TYR A O 1 ATOM 18 C CB . TYR A 1 8 ? 39.137 3.358 -20.037 1.00 45.46 ? 8 TYR A CB 1 ATOM 19 C CG . TYR A 1 8 ? 40.078 2.412 -20.786 1.00 44.67 ? 8 TYR A CG 1 ATOM 20 C CD1 . TYR A 1 8 ? 39.656 1.145 -21.180 1.00 45.21 ? 8 TYR A CD1 1 ATOM 21 C CD2 . TYR A 1 8 ? 41.383 2.797 -21.100 1.00 43.52 ? 8 TYR A CD2 1 ATOM 22 C CE1 . TYR A 1 8 ? 40.504 0.283 -21.871 1.00 47.38 ? 8 TYR A CE1 1 ATOM 23 C CE2 . TYR A 1 8 ? 42.250 1.942 -21.776 1.00 44.40 ? 8 TYR A CE2 1 ATOM 24 C CZ . TYR A 1 8 ? 41.802 0.688 -22.167 1.00 47.76 ? 8 TYR A CZ 1 ATOM 25 O OH . TYR A 1 8 ? 42.650 -0.173 -22.848 1.00 52.10 ? 8 TYR A OH 1 ATOM 26 N N . THR A 1 9 ? 39.430 5.644 -17.603 1.00 40.69 ? 9 THR A N 1 ATOM 27 C CA . THR A 1 9 ? 38.887 6.911 -17.144 1.00 37.62 ? 9 THR A CA 1 ATOM 28 C C . THR A 1 9 ? 39.042 7.963 -18.232 1.00 35.27 ? 9 THR A C 1 ATOM 29 O O . THR A 1 9 ? 40.107 8.163 -18.805 1.00 34.90 ? 9 THR A O 1 ATOM 30 C CB . THR A 1 9 ? 39.542 7.378 -15.836 1.00 37.46 ? 9 THR A CB 1 ATOM 31 O OG1 . THR A 1 9 ? 39.447 6.327 -14.890 1.00 40.70 ? 9 THR A OG1 1 ATOM 32 C CG2 . THR A 1 9 ? 38.846 8.630 -15.262 1.00 35.59 ? 9 THR A CG2 1 ATOM 33 N N . PHE A 1 10 ? 37.929 8.610 -18.511 1.00 34.11 ? 10 PHE A N 1 ATOM 34 C CA . PHE A 1 10 ? 37.818 9.620 -19.504 1.00 31.83 ? 10 PHE A CA 1 ATOM 35 C C . PHE A 1 10 ? 37.734 10.920 -18.717 1.00 31.12 ? 10 PHE A C 1 ATOM 36 O O . PHE A 1 10 ? 36.897 11.067 -17.839 1.00 30.32 ? 10 PHE A O 1 ATOM 37 C CB . PHE A 1 10 ? 36.551 9.359 -20.289 1.00 31.79 ? 10 PHE A CB 1 ATOM 38 C CG . PHE A 1 10 ? 36.238 10.404 -21.311 1.00 29.15 ? 10 PHE A CG 1 ATOM 39 C CD1 . PHE A 1 10 ? 36.955 10.481 -22.487 1.00 28.57 ? 10 PHE A CD1 1 ATOM 40 C CD2 . PHE A 1 10 ? 35.199 11.288 -21.102 1.00 26.09 ? 10 PHE A CD2 1 ATOM 41 C CE1 . PHE A 1 10 ? 36.641 11.445 -23.434 1.00 27.28 ? 10 PHE A CE1 1 ATOM 42 C CE2 . PHE A 1 10 ? 34.887 12.241 -22.027 1.00 26.65 ? 10 PHE A CE2 1 ATOM 43 C CZ . PHE A 1 10 ? 35.614 12.318 -23.209 1.00 26.73 ? 10 PHE A CZ 1 ATOM 44 N N . ARG A 1 11 ? 38.658 11.831 -19.010 1.00 30.77 ? 11 ARG A N 1 ATOM 45 C CA . ARG A 1 11 ? 38.774 13.113 -18.318 1.00 30.39 ? 11 ARG A CA 1 ATOM 46 C C . ARG A 1 11 ? 38.838 14.253 -19.316 1.00 28.51 ? 11 ARG A C 1 ATOM 47 O O . ARG A 1 11 ? 39.687 14.245 -20.206 1.00 28.19 ? 11 ARG A O 1 ATOM 48 C CB . ARG A 1 11 ? 40.069 13.160 -17.509 1.00 31.22 ? 11 ARG A CB 1 ATOM 49 C CG . ARG A 1 11 ? 40.188 12.139 -16.419 1.00 35.06 ? 11 ARG A CG 1 ATOM 50 C CD . ARG A 1 11 ? 41.487 12.328 -15.645 1.00 38.91 ? 11 ARG A CD 1 ATOM 51 N NE . ARG A 1 11 ? 41.473 11.515 -14.422 1.00 43.23 ? 11 ARG A NE 1 ATOM 52 C CZ . ARG A 1 11 ? 41.954 10.274 -14.341 1.00 45.66 ? 11 ARG A CZ 1 ATOM 53 N NH1 . ARG A 1 11 ? 42.490 9.681 -15.410 1.00 44.81 ? 11 ARG A NH1 1 ATOM 54 N NH2 . ARG A 1 11 ? 41.888 9.618 -13.186 1.00 47.64 ? 11 ARG A NH2 1 ATOM 55 N N . CYS A 1 12 ? 37.941 15.218 -19.127 1.00 27.37 ? 12 CYS A N 1 ATOM 56 C CA . CYS A 1 12 ? 37.935 16.502 -19.778 1.00 26.79 ? 12 CYS A CA 1 ATOM 57 C C . CYS A 1 12 ? 38.510 17.463 -18.753 1.00 27.16 ? 12 CYS A C 1 ATOM 58 O O . CYS A 1 12 ? 37.934 17.667 -17.680 1.00 28.14 ? 12 CYS A O 1 ATOM 59 C CB . CYS A 1 12 ? 36.498 16.907 -20.131 1.00 25.68 ? 12 CYS A CB 1 ATOM 60 S SG . CYS A 1 12 ? 35.693 15.701 -21.238 1.00 29.37 ? 12 CYS A SG 1 ATOM 61 N N . LEU A 1 13 ? 39.649 18.050 -19.082 1.00 27.06 ? 13 LEU A N 1 ATOM 62 C CA . LEU A 1 13 ? 40.375 18.875 -18.148 1.00 27.16 ? 13 LEU A CA 1 ATOM 63 C C . LEU A 1 13 ? 40.310 20.287 -18.679 1.00 27.21 ? 13 LEU A C 1 ATOM 64 O O . LEU A 1 13 ? 40.806 20.557 -19.775 1.00 27.52 ? 13 LEU A O 1 ATOM 65 C CB . LEU A 1 13 ? 41.818 18.387 -18.018 1.00 27.30 ? 13 LEU A CB 1 ATOM 66 C CG . LEU A 1 13 ? 41.987 16.923 -17.554 1.00 29.28 ? 13 LEU A CG 1 ATOM 67 C CD1 . LEU A 1 13 ? 43.446 16.544 -17.359 1.00 28.09 ? 13 LEU A CD1 1 ATOM 68 C CD2 . LEU A 1 13 ? 41.173 16.622 -16.276 1.00 27.50 ? 13 LEU A CD2 1 ATOM 69 N N . GLN A 1 14 ? 39.611 21.155 -17.948 1.00 25.62 ? 14 GLN A N 1 ATOM 70 C CA . GLN A 1 14 ? 39.509 22.545 -18.323 1.00 25.62 ? 14 GLN A CA 1 ATOM 71 C C . GLN A 1 14 ? 40.398 23.399 -17.438 1.00 25.57 ? 14 GLN A C 1 ATOM 72 O O . GLN A 1 14 ? 40.387 23.262 -16.208 1.00 25.77 ? 14 GLN A O 1 ATOM 73 C CB . GLN A 1 14 ? 38.069 23.039 -18.231 1.00 24.89 ? 14 GLN A CB 1 ATOM 74 C CG . GLN A 1 14 ? 37.911 24.490 -18.619 1.00 25.34 ? 14 GLN A CG 1 ATOM 75 C CD . GLN A 1 14 ? 36.519 25.002 -18.285 1.00 27.12 ? 14 GLN A CD 1 ATOM 76 O OE1 . GLN A 1 14 ? 35.552 24.240 -18.303 1.00 27.63 ? 14 GLN A OE1 1 ATOM 77 N NE2 . GLN A 1 14 ? 36.418 26.276 -17.941 1.00 24.92 ? 14 GLN A NE2 1 ATOM 78 N N . MET A 1 15 ? 41.178 24.271 -18.056 1.00 25.35 ? 15 MET A N 1 ATOM 79 C CA . MET A 1 15 ? 41.985 25.187 -17.273 1.00 26.63 ? 15 MET A CA 1 ATOM 80 C C . MET A 1 15 ? 41.719 26.610 -17.737 1.00 26.93 ? 15 MET A C 1 ATOM 81 O O . MET A 1 15 ? 41.908 26.925 -18.911 1.00 26.81 ? 15 MET A O 1 ATOM 82 C CB . MET A 1 15 ? 43.476 24.799 -17.243 1.00 27.80 ? 15 MET A CB 1 ATOM 83 C CG . MET A 1 15 ? 44.195 24.608 -18.545 1.00 30.35 ? 15 MET A CG 1 ATOM 84 S SD . MET A 1 15 ? 45.303 23.126 -18.557 1.00 35.03 ? 15 MET A SD 1 ATOM 85 C CE . MET A 1 15 ? 44.208 21.988 -19.420 1.00 33.33 ? 15 MET A CE 1 ATOM 86 N N . SER A 1 16 ? 41.220 27.431 -16.808 1.00 26.09 ? 16 SER A N 1 ATOM 87 C CA . SER A 1 16 ? 40.826 28.808 -17.096 1.00 26.63 ? 16 SER A CA 1 ATOM 88 C C . SER A 1 16 ? 41.585 29.796 -16.220 1.00 27.37 ? 16 SER A C 1 ATOM 89 O O . SER A 1 16 ? 41.537 29.707 -14.982 1.00 26.89 ? 16 SER A O 1 ATOM 90 C CB . SER A 1 16 ? 39.331 28.999 -16.870 1.00 24.68 ? 16 SER A CB 1 ATOM 91 O OG . SER A 1 16 ? 38.573 28.180 -17.732 1.00 25.97 ? 16 SER A OG 1 ATOM 92 N N . SER A 1 17 ? 42.261 30.737 -16.861 1.00 27.97 ? 17 SER A N 1 ATOM 93 C CA . SER A 1 17 ? 42.928 31.811 -16.140 1.00 30.57 ? 17 SER A CA 1 ATOM 94 C C . SER A 1 17 ? 42.228 33.140 -16.363 1.00 30.48 ? 17 SER A C 1 ATOM 95 O O . SER A 1 17 ? 41.937 33.511 -17.519 1.00 30.72 ? 17 SER A O 1 ATOM 96 C CB . SER A 1 17 ? 44.383 31.949 -16.576 1.00 31.31 ? 17 SER A CB 1 ATOM 97 O OG . SER A 1 17 ? 45.019 30.706 -16.380 1.00 35.83 ? 17 SER A OG 1 ATOM 98 N N . PHE A 1 18 ? 42.015 33.850 -15.258 1.00 29.81 ? 18 PHE A N 1 ATOM 99 C CA . PHE A 1 18 ? 41.492 35.193 -15.272 1.00 30.47 ? 18 PHE A CA 1 ATOM 100 C C . PHE A 1 18 ? 42.516 36.076 -14.569 1.00 33.19 ? 18 PHE A C 1 ATOM 101 O O . PHE A 1 18 ? 42.610 36.057 -13.334 1.00 32.75 ? 18 PHE A O 1 ATOM 102 C CB . PHE A 1 18 ? 40.176 35.245 -14.516 1.00 29.41 ? 18 PHE A CB 1 ATOM 103 C CG . PHE A 1 18 ? 39.091 34.366 -15.107 1.00 28.23 ? 18 PHE A CG 1 ATOM 104 C CD1 . PHE A 1 18 ? 39.018 33.018 -14.790 1.00 26.08 ? 18 PHE A CD1 1 ATOM 105 C CD2 . PHE A 1 18 ? 38.115 34.912 -15.935 1.00 28.60 ? 18 PHE A CD2 1 ATOM 106 C CE1 . PHE A 1 18 ? 38.023 32.211 -15.313 1.00 27.50 ? 18 PHE A CE1 1 ATOM 107 C CE2 . PHE A 1 18 ? 37.092 34.107 -16.462 1.00 28.58 ? 18 PHE A CE2 1 ATOM 108 C CZ . PHE A 1 18 ? 37.051 32.760 -16.155 1.00 26.95 ? 18 PHE A CZ 1 ATOM 109 N N . ALA A 1 19 ? 43.275 36.836 -15.362 1.00 34.86 ? 19 ALA A N 1 ATOM 110 C CA . ALA A 1 19 ? 44.346 37.697 -14.871 1.00 38.17 ? 19 ALA A CA 1 ATOM 111 C C . ALA A 1 19 ? 43.840 38.972 -14.226 1.00 39.61 ? 19 ALA A C 1 ATOM 112 O O . ALA A 1 19 ? 44.473 39.497 -13.307 1.00 41.35 ? 19 ALA A O 1 ATOM 113 C CB . ALA A 1 19 ? 45.317 38.047 -16.015 1.00 39.35 ? 19 ALA A CB 1 ATOM 114 N N . ASN A 1 20 ? 42.733 39.489 -14.749 1.00 39.80 ? 20 ASN A N 1 ATOM 115 C CA . ASN A 1 20 ? 42.078 40.707 -14.243 1.00 41.86 ? 20 ASN A CA 1 ATOM 116 C C . ASN A 1 20 ? 40.659 40.745 -14.818 1.00 40.57 ? 20 ASN A C 1 ATOM 117 O O . ASN A 1 20 ? 40.225 39.771 -15.416 1.00 38.76 ? 20 ASN A O 1 ATOM 118 C CB . ASN A 1 20 ? 42.883 41.973 -14.612 1.00 45.09 ? 20 ASN A CB 1 ATOM 119 C CG . ASN A 1 20 ? 43.322 41.959 -16.058 1.00 48.43 ? 20 ASN A CG 1 ATOM 120 O OD1 . ASN A 1 20 ? 42.481 41.826 -16.950 1.00 48.30 ? 20 ASN A OD1 1 ATOM 121 N ND2 . ASN A 1 20 ? 44.634 42.062 -16.303 1.00 54.24 ? 20 ASN A ND2 1 ATOM 122 N N . ARG A 1 21 ? 39.963 41.874 -14.674 1.00 42.16 ? 21 ARG A N 1 ATOM 123 C CA . ARG A 1 21 ? 38.563 42.019 -15.110 1.00 41.49 ? 21 ARG A CA 1 ATOM 124 C C . ARG A 1 21 ? 38.316 41.726 -16.590 1.00 41.94 ? 21 ARG A C 1 ATOM 125 O O . ARG A 1 21 ? 37.235 41.252 -16.938 1.00 41.14 ? 21 ARG A O 1 ATOM 126 C CB . ARG A 1 21 ? 38.001 43.416 -14.757 1.00 42.66 ? 21 ARG A CB 1 ATOM 127 N N . SER A 1 22 ? 39.289 41.999 -17.460 1.00 43.77 ? 22 SER A N 1 ATOM 128 C CA . SER A 1 22 ? 39.028 41.894 -18.888 1.00 44.99 ? 22 SER A CA 1 ATOM 129 C C . SER A 1 22 ? 39.671 40.683 -19.574 1.00 44.42 ? 22 SER A C 1 ATOM 130 O O . SER A 1 22 ? 39.023 40.023 -20.404 1.00 44.80 ? 22 SER A O 1 ATOM 131 C CB . SER A 1 22 ? 39.389 43.199 -19.605 1.00 48.30 ? 22 SER A CB 1 ATOM 132 O OG . SER A 1 22 ? 40.692 43.638 -19.270 1.00 50.91 ? 22 SER A OG 1 ATOM 133 N N . TRP A 1 23 ? 40.917 40.375 -19.201 1.00 43.71 ? 23 TRP A N 1 ATOM 134 C CA . TRP A 1 23 ? 41.706 39.289 -19.792 1.00 41.21 ? 23 TRP A CA 1 ATOM 135 C C . TRP A 1 23 ? 41.420 37.903 -19.186 1.00 38.98 ? 23 TRP A C 1 ATOM 136 O O . TRP A 1 23 ? 41.443 37.716 -17.956 1.00 37.81 ? 23 TRP A O 1 ATOM 137 C CB . TRP A 1 23 ? 43.177 39.615 -19.593 1.00 42.39 ? 23 TRP A CB 1 ATOM 138 C CG . TRP A 1 23 ? 44.149 38.800 -20.364 1.00 42.04 ? 23 TRP A CG 1 ATOM 139 C CD1 . TRP A 1 23 ? 44.818 39.187 -21.487 1.00 43.01 ? 23 TRP A CD1 1 ATOM 140 C CD2 . TRP A 1 23 ? 44.609 37.466 -20.062 1.00 40.59 ? 23 TRP A CD2 1 ATOM 141 N NE1 . TRP A 1 23 ? 45.662 38.187 -21.906 1.00 43.63 ? 23 TRP A NE1 1 ATOM 142 C CE2 . TRP A 1 23 ? 45.558 37.120 -21.054 1.00 41.72 ? 23 TRP A CE2 1 ATOM 143 C CE3 . TRP A 1 23 ? 44.319 36.535 -19.048 1.00 39.48 ? 23 TRP A CE3 1 ATOM 144 C CZ2 . TRP A 1 23 ? 46.229 35.885 -21.060 1.00 40.99 ? 23 TRP A CZ2 1 ATOM 145 C CZ3 . TRP A 1 23 ? 44.985 35.290 -19.058 1.00 37.17 ? 23 TRP A CZ3 1 ATOM 146 C CH2 . TRP A 1 23 ? 45.926 34.983 -20.062 1.00 38.84 ? 23 TRP A CH2 1 ATOM 147 N N . SER A 1 24 ? 41.169 36.923 -20.051 1.00 37.20 ? 24 SER A N 1 ATOM 148 C CA . SER A 1 24 ? 41.047 35.542 -19.604 1.00 35.05 ? 24 SER A CA 1 ATOM 149 C C . SER A 1 24 ? 41.291 34.574 -20.756 1.00 34.20 ? 24 SER A C 1 ATOM 150 O O . SER A 1 24 ? 41.233 34.953 -21.928 1.00 35.41 ? 24 SER A O 1 ATOM 151 C CB . SER A 1 24 ? 39.680 35.285 -18.974 1.00 33.91 ? 24 SER A CB 1 ATOM 152 O OG . SER A 1 24 ? 38.752 34.799 -19.924 1.00 34.62 ? 24 SER A OG 1 ATOM 153 N N . ARG A 1 25 ? 41.587 33.333 -20.416 1.00 32.38 ? 25 ARG A N 1 ATOM 154 C CA . ARG A 1 25 ? 41.695 32.295 -21.409 1.00 31.76 ? 25 ARG A CA 1 ATOM 155 C C . ARG A 1 25 ? 41.312 30.940 -20.831 1.00 30.10 ? 25 ARG A C 1 ATOM 156 O O . ARG A 1 25 ? 41.545 30.660 -19.646 1.00 29.16 ? 25 ARG A O 1 ATOM 157 C CB . ARG A 1 25 ? 43.088 32.275 -22.034 1.00 33.56 ? 25 ARG A CB 1 ATOM 158 C CG . ARG A 1 25 ? 44.206 31.738 -21.171 1.00 34.70 ? 25 ARG A CG 1 ATOM 159 C CD . ARG A 1 25 ? 45.470 31.641 -22.041 1.00 38.29 ? 25 ARG A CD 1 ATOM 160 N NE . ARG A 1 25 ? 45.366 30.627 -23.089 1.00 37.17 ? 25 ARG A NE 1 ATOM 161 C CZ . ARG A 1 25 ? 45.835 30.766 -24.329 1.00 41.34 ? 25 ARG A CZ 1 ATOM 162 N NH1 . ARG A 1 25 ? 46.417 31.911 -24.707 1.00 42.54 ? 25 ARG A NH1 1 ATOM 163 N NH2 . ARG A 1 25 ? 45.699 29.769 -25.206 1.00 38.57 ? 25 ARG A NH2 1 ATOM 164 N N . THR A 1 26 ? 40.710 30.111 -21.684 1.00 28.89 ? 26 THR A N 1 ATOM 165 C CA . THR A 1 26 ? 40.298 28.779 -21.302 1.00 27.21 ? 26 THR A CA 1 ATOM 166 C C . THR A 1 26 ? 40.859 27.801 -22.312 1.00 27.79 ? 26 THR A C 1 ATOM 167 O O . THR A 1 26 ? 40.630 27.941 -23.522 1.00 27.90 ? 26 THR A O 1 ATOM 168 C CB . THR A 1 26 ? 38.743 28.684 -21.238 1.00 26.47 ? 26 THR A CB 1 ATOM 169 O OG1 . THR A 1 26 ? 38.259 29.515 -20.181 1.00 26.75 ? 26 THR A OG1 1 ATOM 170 C CG2 . THR A 1 26 ? 38.257 27.260 -21.008 1.00 24.77 ? 26 THR A CG2 1 ATOM 171 N N . ASP A 1 27 ? 41.588 26.808 -21.801 1.00 27.40 ? 27 ASP A N 1 ATOM 172 C CA . ASP A 1 27 ? 42.137 25.725 -22.602 1.00 27.28 ? 27 ASP A CA 1 ATOM 173 C C . ASP A 1 27 ? 41.754 24.386 -21.996 1.00 26.71 ? 27 ASP A C 1 ATOM 174 O O . ASP A 1 27 ? 41.837 24.195 -20.773 1.00 26.41 ? 27 ASP A O 1 ATOM 175 C CB . ASP A 1 27 ? 43.645 25.851 -22.650 1.00 28.83 ? 27 ASP A CB 1 ATOM 176 C CG . ASP A 1 27 ? 44.079 27.186 -23.205 1.00 31.42 ? 27 ASP A CG 1 ATOM 177 O OD1 . ASP A 1 27 ? 44.062 27.360 -24.440 1.00 34.25 ? 27 ASP A OD1 1 ATOM 178 O OD2 . ASP A 1 27 ? 44.404 28.077 -22.407 1.00 35.14 ? 27 ASP A OD2 1 ATOM 179 N N . SER A 1 28 ? 41.356 23.459 -22.854 1.00 25.85 ? 28 SER A N 1 ATOM 180 C CA . SER A 1 28 ? 41.015 22.109 -22.413 1.00 25.87 ? 28 SER A CA 1 ATOM 181 C C . SER A 1 28 ? 41.703 21.025 -23.202 1.00 25.38 ? 28 SER A C 1 ATOM 182 O O . SER A 1 28 ? 42.016 21.188 -24.391 1.00 25.97 ? 28 SER A O 1 ATOM 183 C CB . SER A 1 28 ? 39.502 21.883 -22.494 1.00 25.23 ? 28 SER A CB 1 ATOM 184 O OG . SER A 1 28 ? 38.826 22.978 -21.893 1.00 27.24 ? 28 SER A OG 1 ATOM 185 N N . VAL A 1 29 ? 41.943 19.920 -22.519 1.00 24.86 ? 29 VAL A N 1 ATOM 186 C CA . VAL A 1 29 ? 42.464 18.729 -23.134 1.00 25.91 ? 29 VAL A CA 1 ATOM 187 C C . VAL A 1 29 ? 41.583 17.582 -22.670 1.00 25.29 ? 29 VAL A C 1 ATOM 188 O O . VAL A 1 29 ? 40.966 17.652 -21.590 1.00 25.02 ? 29 VAL A O 1 ATOM 189 C CB . VAL A 1 29 ? 43.943 18.463 -22.740 1.00 26.94 ? 29 VAL A CB 1 ATOM 190 C CG1 . VAL A 1 29 ? 44.899 19.543 -23.337 1.00 26.58 ? 29 VAL A CG1 1 ATOM 191 C CG2 . VAL A 1 29 ? 44.069 18.431 -21.214 1.00 28.01 ? 29 VAL A CG2 1 ATOM 192 N N . VAL A 1 30 ? 41.536 16.512 -23.459 1.00 24.70 ? 30 VAL A N 1 ATOM 193 C CA . VAL A 1 30 ? 40.673 15.398 -23.118 1.00 24.12 ? 30 VAL A CA 1 ATOM 194 C C . VAL A 1 30 ? 41.487 14.120 -23.196 1.00 25.38 ? 30 VAL A C 1 ATOM 195 O O . VAL A 1 30 ? 42.222 13.930 -24.154 1.00 26.35 ? 30 VAL A O 1 ATOM 196 C CB . VAL A 1 30 ? 39.437 15.346 -24.035 1.00 23.93 ? 30 VAL A CB 1 ATOM 197 C CG1 . VAL A 1 30 ? 38.586 14.097 -23.748 1.00 22.31 ? 30 VAL A CG1 1 ATOM 198 C CG2 . VAL A 1 30 ? 38.608 16.637 -23.925 1.00 21.74 ? 30 VAL A CG2 1 ATOM 199 N N . TRP A 1 31 ? 41.373 13.270 -22.170 1.00 25.64 ? 31 TRP A N 1 ATOM 200 C CA . TRP A 1 31 ? 42.124 12.022 -22.088 1.00 26.57 ? 31 TRP A CA 1 ATOM 201 C C . TRP A 1 31 ? 41.204 10.821 -21.906 1.00 27.54 ? 31 TRP A C 1 ATOM 202 O O . TRP A 1 31 ? 40.209 10.887 -21.187 1.00 28.58 ? 31 TRP A O 1 ATOM 203 C CB . TRP A 1 31 ? 43.091 12.036 -20.908 1.00 26.78 ? 31 TRP A CB 1 ATOM 204 C CG . TRP A 1 31 ? 44.086 13.161 -20.908 1.00 28.52 ? 31 TRP A CG 1 ATOM 205 C CD1 . TRP A 1 31 ? 43.913 14.421 -20.378 1.00 27.77 ? 31 TRP A CD1 1 ATOM 206 C CD2 . TRP A 1 31 ? 45.411 13.130 -21.444 1.00 29.14 ? 31 TRP A CD2 1 ATOM 207 N NE1 . TRP A 1 31 ? 45.045 15.170 -20.575 1.00 28.73 ? 31 TRP A NE1 1 ATOM 208 C CE2 . TRP A 1 31 ? 45.979 14.409 -21.230 1.00 28.97 ? 31 TRP A CE2 1 ATOM 209 C CE3 . TRP A 1 31 ? 46.171 12.152 -22.108 1.00 30.45 ? 31 TRP A CE3 1 ATOM 210 C CZ2 . TRP A 1 31 ? 47.290 14.738 -21.655 1.00 30.17 ? 31 TRP A CZ2 1 ATOM 211 C CZ3 . TRP A 1 31 ? 47.488 12.475 -22.516 1.00 32.54 ? 31 TRP A CZ3 1 ATOM 212 C CH2 . TRP A 1 31 ? 48.024 13.760 -22.288 1.00 30.56 ? 31 TRP A CH2 1 ATOM 213 N N . LEU A 1 32 ? 41.561 9.718 -22.559 1.00 27.92 ? 32 LEU A N 1 ATOM 214 C CA . LEU A 1 32 ? 40.948 8.427 -22.333 1.00 27.34 ? 32 LEU A CA 1 ATOM 215 C C . LEU A 1 32 ? 42.057 7.531 -21.844 1.00 28.02 ? 32 LEU A C 1 ATOM 216 O O . LEU A 1 32 ? 42.933 7.195 -22.610 1.00 28.37 ? 32 LEU A O 1 ATOM 217 C CB . LEU A 1 32 ? 40.365 7.862 -23.623 1.00 27.06 ? 32 LEU A CB 1 ATOM 218 C CG . LEU A 1 32 ? 39.603 6.538 -23.398 1.00 28.19 ? 32 LEU A CG 1 ATOM 219 C CD1 . LEU A 1 32 ? 38.558 6.650 -22.273 1.00 23.38 ? 32 LEU A CD1 1 ATOM 220 C CD2 . LEU A 1 32 ? 38.979 6.044 -24.704 1.00 24.86 ? 32 LEU A CD2 1 ATOM 221 N N . GLY A 1 33 ? 42.039 7.160 -20.560 1.00 28.37 ? 33 GLY A N 1 ATOM 222 C CA . GLY A 1 33 ? 43.206 6.520 -19.973 1.00 29.32 ? 33 GLY A CA 1 ATOM 223 C C . GLY A 1 33 ? 44.354 7.530 -20.046 1.00 29.23 ? 33 GLY A C 1 ATOM 224 O O . GLY A 1 33 ? 44.190 8.703 -19.685 1.00 27.05 ? 33 GLY A O 1 ATOM 225 N N . ASP A 1 34 ? 45.495 7.086 -20.551 1.00 30.04 ? 34 ASP A N 1 ATOM 226 C CA . ASP A 1 34 ? 46.642 7.969 -20.733 1.00 31.49 ? 34 ASP A CA 1 ATOM 227 C C . ASP A 1 34 ? 46.860 8.414 -22.216 1.00 31.01 ? 34 ASP A C 1 ATOM 228 O O . ASP A 1 34 ? 47.943 8.885 -22.565 1.00 32.49 ? 34 ASP A O 1 ATOM 229 C CB . ASP A 1 34 ? 47.888 7.295 -20.175 1.00 32.25 ? 34 ASP A CB 1 ATOM 230 C CG . ASP A 1 34 ? 48.241 6.058 -20.932 1.00 35.31 ? 34 ASP A CG 1 ATOM 231 O OD1 . ASP A 1 34 ? 47.583 5.796 -21.972 1.00 33.98 ? 34 ASP A OD1 1 ATOM 232 O OD2 . ASP A 1 34 ? 49.183 5.357 -20.512 1.00 38.06 ? 34 ASP A OD2 1 ATOM 233 N N . LEU A 1 35 ? 45.841 8.274 -23.065 1.00 29.99 ? 35 LEU A N 1 ATOM 234 C CA . LEU A 1 35 ? 45.902 8.761 -24.450 1.00 29.48 ? 35 LEU A CA 1 ATOM 235 C C . LEU A 1 35 ? 45.033 9.999 -24.633 1.00 28.68 ? 35 LEU A C 1 ATOM 236 O O . LEU A 1 35 ? 43.870 10.038 -24.176 1.00 27.73 ? 35 LEU A O 1 ATOM 237 C CB . LEU A 1 35 ? 45.483 7.670 -25.435 1.00 30.02 ? 35 LEU A CB 1 ATOM 238 C CG . LEU A 1 35 ? 46.328 6.372 -25.470 1.00 32.70 ? 35 LEU A CG 1 ATOM 239 C CD1 . LEU A 1 35 ? 45.812 5.424 -26.531 1.00 30.87 ? 35 LEU A CD1 1 ATOM 240 C CD2 . LEU A 1 35 ? 47.818 6.652 -25.686 1.00 32.64 ? 35 LEU A CD2 1 ATOM 241 N N . GLN A 1 36 ? 45.592 11.018 -25.287 1.00 28.44 ? 36 GLN A N 1 ATOM 242 C CA . GLN A 1 36 ? 44.874 12.261 -25.493 1.00 27.17 ? 36 GLN A CA 1 ATOM 243 C C . GLN A 1 36 ? 43.983 12.090 -26.683 1.00 27.41 ? 36 GLN A C 1 ATOM 244 O O . GLN A 1 36 ? 44.420 11.575 -27.732 1.00 28.32 ? 36 GLN A O 1 ATOM 245 C CB . GLN A 1 36 ? 45.814 13.457 -25.701 1.00 27.43 ? 36 GLN A CB 1 ATOM 246 C CG . GLN A 1 36 ? 45.065 14.847 -25.705 1.00 25.74 ? 36 GLN A CG 1 ATOM 247 C CD . GLN A 1 36 ? 46.008 16.051 -25.971 1.00 27.68 ? 36 GLN A CD 1 ATOM 248 O OE1 . GLN A 1 36 ? 47.232 15.903 -25.981 1.00 26.90 ? 36 GLN A OE1 1 ATOM 249 N NE2 . GLN A 1 36 ? 45.423 17.237 -26.194 1.00 25.02 ? 36 GLN A NE2 1 ATOM 250 N N . THR A 1 37 ? 42.738 12.527 -26.534 1.00 26.12 ? 37 THR A N 1 ATOM 251 C CA . THR A 1 37 ? 41.753 12.331 -27.581 1.00 27.16 ? 37 THR A CA 1 ATOM 252 C C . THR A 1 37 ? 41.292 13.641 -28.202 1.00 26.91 ? 37 THR A C 1 ATOM 253 O O . THR A 1 37 ? 40.905 13.659 -29.359 1.00 28.17 ? 37 THR A O 1 ATOM 254 C CB . THR A 1 37 ? 40.508 11.565 -27.076 1.00 27.11 ? 37 THR A CB 1 ATOM 255 O OG1 . THR A 1 37 ? 39.928 12.289 -25.992 1.00 27.24 ? 37 THR A OG1 1 ATOM 256 C CG2 . THR A 1 37 ? 40.870 10.146 -26.618 1.00 27.27 ? 37 THR A CG2 1 ATOM 257 N N . HIS A 1 38 ? 41.313 14.719 -27.431 1.00 26.33 ? 38 HIS A N 1 ATOM 258 C CA . HIS A 1 38 ? 40.900 16.032 -27.923 1.00 26.50 ? 38 HIS A CA 1 ATOM 259 C C . HIS A 1 38 ? 41.783 17.138 -27.327 1.00 26.80 ? 38 HIS A C 1 ATOM 260 O O . HIS A 1 38 ? 42.424 16.973 -26.288 1.00 25.96 ? 38 HIS A O 1 ATOM 261 C CB . HIS A 1 38 ? 39.441 16.353 -27.569 1.00 25.56 ? 38 HIS A CB 1 ATOM 262 C CG . HIS A 1 38 ? 38.457 15.304 -27.979 1.00 26.30 ? 38 HIS A CG 1 ATOM 263 N ND1 . HIS A 1 38 ? 38.285 14.121 -27.278 1.00 27.59 ? 38 HIS A ND1 1 ATOM 264 C CD2 . HIS A 1 38 ? 37.544 15.288 -28.977 1.00 24.32 ? 38 HIS A CD2 1 ATOM 265 C CE1 . HIS A 1 38 ? 37.338 13.404 -27.859 1.00 26.59 ? 38 HIS A CE1 1 ATOM 266 N NE2 . HIS A 1 38 ? 36.875 14.087 -28.895 1.00 26.80 ? 38 HIS A NE2 1 ATOM 267 N N . ARG A 1 39 ? 41.787 18.269 -28.003 1.00 27.33 ? 39 ARG A N 1 ATOM 268 C CA . ARG A 1 39 ? 42.442 19.454 -27.525 1.00 28.75 ? 39 ARG A CA 1 ATOM 269 C C . ARG A 1 39 ? 41.521 20.616 -27.898 1.00 27.95 ? 39 ARG A C 1 ATOM 270 O O . ARG A 1 39 ? 40.982 20.657 -29.010 1.00 28.60 ? 39 ARG A O 1 ATOM 271 C CB . ARG A 1 39 ? 43.789 19.584 -28.226 1.00 30.11 ? 39 ARG A CB 1 ATOM 272 C CG . ARG A 1 39 ? 44.467 20.928 -28.043 1.00 35.69 ? 39 ARG A CG 1 ATOM 273 C CD . ARG A 1 39 ? 45.759 21.066 -28.896 1.00 40.02 ? 39 ARG A CD 1 ATOM 274 N NE . ARG A 1 39 ? 45.576 20.666 -30.276 1.00 43.41 ? 39 ARG A NE 1 ATOM 275 C CZ . ARG A 1 39 ? 46.111 19.585 -30.848 1.00 46.42 ? 39 ARG A CZ 1 ATOM 276 N NH1 . ARG A 1 39 ? 46.907 18.745 -30.170 1.00 45.40 ? 39 ARG A NH1 1 ATOM 277 N NH2 . ARG A 1 39 ? 45.847 19.357 -32.132 1.00 46.12 ? 39 ARG A NH2 1 ATOM 278 N N . TRP A 1 40 ? 41.339 21.561 -26.987 1.00 26.94 ? 40 TRP A N 1 ATOM 279 C CA . TRP A 1 40 ? 40.546 22.729 -27.307 1.00 26.92 ? 40 TRP A CA 1 ATOM 280 C C . TRP A 1 40 ? 41.236 23.978 -26.788 1.00 28.48 ? 40 TRP A C 1 ATOM 281 O O . TRP A 1 40 ? 41.130 24.342 -25.603 1.00 28.37 ? 40 TRP A O 1 ATOM 282 C CB . TRP A 1 40 ? 39.135 22.600 -26.770 1.00 25.33 ? 40 TRP A CB 1 ATOM 283 C CG . TRP A 1 40 ? 38.233 23.673 -27.281 1.00 25.67 ? 40 TRP A CG 1 ATOM 284 C CD1 . TRP A 1 40 ? 38.454 24.481 -28.354 1.00 27.18 ? 40 TRP A CD1 1 ATOM 285 C CD2 . TRP A 1 40 ? 36.936 23.991 -26.799 1.00 24.35 ? 40 TRP A CD2 1 ATOM 286 N NE1 . TRP A 1 40 ? 37.393 25.314 -28.551 1.00 27.34 ? 40 TRP A NE1 1 ATOM 287 C CE2 . TRP A 1 40 ? 36.434 25.028 -27.615 1.00 26.74 ? 40 TRP A CE2 1 ATOM 288 C CE3 . TRP A 1 40 ? 36.146 23.510 -25.743 1.00 22.94 ? 40 TRP A CE3 1 ATOM 289 C CZ2 . TRP A 1 40 ? 35.173 25.614 -27.404 1.00 24.40 ? 40 TRP A CZ2 1 ATOM 290 C CZ3 . TRP A 1 40 ? 34.902 24.095 -25.528 1.00 23.78 ? 40 TRP A CZ3 1 ATOM 291 C CH2 . TRP A 1 40 ? 34.431 25.138 -26.362 1.00 24.82 ? 40 TRP A CH2 1 ATOM 292 N N . SER A 1 41 ? 41.962 24.613 -27.693 1.00 29.87 ? 41 SER A N 1 ATOM 293 C CA . SER A 1 41 ? 42.744 25.767 -27.347 1.00 32.06 ? 41 SER A CA 1 ATOM 294 C C . SER A 1 41 ? 41.832 26.984 -27.268 1.00 32.51 ? 41 SER A C 1 ATOM 295 O O . SER A 1 41 ? 40.838 27.058 -27.983 1.00 32.47 ? 41 SER A O 1 ATOM 296 C CB . SER A 1 41 ? 43.807 25.991 -28.410 1.00 32.61 ? 41 SER A CB 1 ATOM 297 O OG . SER A 1 41 ? 44.400 27.251 -28.197 1.00 37.25 ? 41 SER A OG 1 ATOM 298 N N . ASN A 1 42 ? 42.179 27.936 -26.408 1.00 33.16 ? 42 ASN A N 1 ATOM 299 C CA . ASN A 1 42 ? 41.449 29.186 -26.347 1.00 34.12 ? 42 ASN A CA 1 ATOM 300 C C . ASN A 1 42 ? 41.376 29.893 -27.711 1.00 35.71 ? 42 ASN A C 1 ATOM 301 O O . ASN A 1 42 ? 40.380 30.527 -28.004 1.00 35.69 ? 42 ASN A O 1 ATOM 302 C CB . ASN A 1 42 ? 42.026 30.143 -25.288 1.00 34.17 ? 42 ASN A CB 1 ATOM 303 C CG . ASN A 1 42 ? 41.097 31.319 -25.022 1.00 34.42 ? 42 ASN A CG 1 ATOM 304 O OD1 . ASN A 1 42 ? 40.171 31.211 -24.233 1.00 29.33 ? 42 ASN A OD1 1 ATOM 305 N ND2 . ASN A 1 42 ? 41.339 32.443 -25.691 1.00 37.71 ? 42 ASN A ND2 1 ATOM 306 N N . ASP A 1 43 ? 42.429 29.761 -28.521 1.00 37.70 ? 43 ASP A N 1 ATOM 307 C CA . ASP A 1 43 ? 42.537 30.414 -29.842 1.00 40.26 ? 43 ASP A CA 1 ATOM 308 C C . ASP A 1 43 ? 41.597 29.801 -30.879 1.00 39.17 ? 43 ASP A C 1 ATOM 309 O O . ASP A 1 43 ? 41.456 30.336 -31.979 1.00 39.95 ? 43 ASP A O 1 ATOM 310 C CB . ASP A 1 43 ? 43.975 30.281 -30.390 1.00 42.90 ? 43 ASP A CB 1 ATOM 311 C CG . ASP A 1 43 ? 45.043 30.753 -29.394 1.00 47.98 ? 43 ASP A CG 1 ATOM 312 O OD1 . ASP A 1 43 ? 44.853 31.824 -28.759 1.00 50.02 ? 43 ASP A OD1 1 ATOM 313 O OD2 . ASP A 1 43 ? 46.077 30.045 -29.246 1.00 53.07 ? 43 ASP A OD2 1 ATOM 314 N N . SER A 1 44 ? 40.976 28.672 -30.531 1.00 36.12 ? 44 SER A N 1 ATOM 315 C CA . SER A 1 44 ? 40.242 27.877 -31.499 1.00 35.22 ? 44 SER A CA 1 ATOM 316 C C . SER A 1 44 ? 38.739 27.893 -31.233 1.00 33.74 ? 44 SER A C 1 ATOM 317 O O . SER A 1 44 ? 38.283 27.705 -30.093 1.00 33.01 ? 44 SER A O 1 ATOM 318 C CB . SER A 1 44 ? 40.780 26.438 -31.548 1.00 34.05 ? 44 SER A CB 1 ATOM 319 O OG . SER A 1 44 ? 39.919 25.624 -32.329 1.00 33.49 ? 44 SER A OG 1 ATOM 320 N N . ALA A 1 45 ? 37.974 28.111 -32.293 1.00 33.77 ? 45 ALA A N 1 ATOM 321 C CA . ALA A 1 45 ? 36.524 28.166 -32.185 1.00 33.11 ? 45 ALA A CA 1 ATOM 322 C C . ALA A 1 45 ? 35.974 26.745 -32.002 1.00 31.98 ? 45 ALA A C 1 ATOM 323 O O . ALA A 1 45 ? 34.883 26.568 -31.468 1.00 31.18 ? 45 ALA A O 1 ATOM 324 C CB . ALA A 1 45 ? 35.905 28.849 -33.414 1.00 33.84 ? 45 ALA A CB 1 ATOM 325 N N . THR A 1 46 ? 36.750 25.749 -32.437 1.00 31.98 ? 46 THR A N 1 ATOM 326 C CA . THR A 1 46 ? 36.315 24.359 -32.423 1.00 31.13 ? 46 THR A CA 1 ATOM 327 C C . THR A 1 46 ? 37.243 23.431 -31.638 1.00 30.44 ? 46 THR A C 1 ATOM 328 O O . THR A 1 46 ? 38.451 23.685 -31.511 1.00 29.90 ? 46 THR A O 1 ATOM 329 C CB . THR A 1 46 ? 36.169 23.788 -33.838 1.00 31.77 ? 46 THR A CB 1 ATOM 330 O OG1 . THR A 1 46 ? 37.416 23.909 -34.527 1.00 34.04 ? 46 THR A OG1 1 ATOM 331 C CG2 . THR A 1 46 ? 35.056 24.508 -34.627 1.00 32.67 ? 46 THR A CG2 1 ATOM 332 N N . ILE A 1 47 ? 36.659 22.341 -31.140 1.00 29.29 ? 47 ILE A N 1 ATOM 333 C CA . ILE A 1 47 ? 37.410 21.285 -30.462 1.00 29.42 ? 47 ILE A CA 1 ATOM 334 C C . ILE A 1 47 ? 38.146 20.468 -31.511 1.00 30.47 ? 47 ILE A C 1 ATOM 335 O O . ILE A 1 47 ? 37.554 20.091 -32.516 1.00 32.35 ? 47 ILE A O 1 ATOM 336 C CB . ILE A 1 47 ? 36.441 20.352 -29.686 1.00 28.32 ? 47 ILE A CB 1 ATOM 337 C CG1 . ILE A 1 47 ? 35.661 21.173 -28.646 1.00 27.32 ? 47 ILE A CG1 1 ATOM 338 C CG2 . ILE A 1 47 ? 37.191 19.195 -29.059 1.00 26.67 ? 47 ILE A CG2 1 ATOM 339 C CD1 . ILE A 1 47 ? 34.321 20.529 -28.210 1.00 26.19 ? 47 ILE A CD1 1 ATOM 340 N N . SER A 1 48 ? 39.424 20.180 -31.280 1.00 30.66 ? 48 SER A N 1 ATOM 341 C CA . SER A 1 48 ? 40.212 19.426 -32.247 1.00 31.44 ? 48 SER A CA 1 ATOM 342 C C . SER A 1 48 ? 40.374 17.981 -31.831 1.00 30.89 ? 48 SER A C 1 ATOM 343 O O . SER A 1 48 ? 40.634 17.705 -30.652 1.00 30.30 ? 48 SER A O 1 ATOM 344 C CB . SER A 1 48 ? 41.603 20.057 -32.426 1.00 32.07 ? 48 SER A CB 1 ATOM 345 O OG . SER A 1 48 ? 41.495 21.464 -32.507 1.00 33.70 ? 48 SER A OG 1 ATOM 346 N N . PHE A 1 49 ? 40.226 17.072 -32.798 1.00 31.00 ? 49 PHE A N 1 ATOM 347 C CA . PHE A 1 49 ? 40.509 15.652 -32.594 1.00 31.36 ? 49 PHE A CA 1 ATOM 348 C C . PHE A 1 49 ? 42.009 15.440 -32.595 1.00 32.09 ? 49 PHE A C 1 ATOM 349 O O . PHE A 1 49 ? 42.702 15.999 -33.438 1.00 32.56 ? 49 PHE A O 1 ATOM 350 C CB . PHE A 1 49 ? 39.890 14.793 -33.700 1.00 31.56 ? 49 PHE A CB 1 ATOM 351 C CG . PHE A 1 49 ? 38.389 14.877 -33.771 1.00 33.35 ? 49 PHE A CG 1 ATOM 352 C CD1 . PHE A 1 49 ? 37.627 15.181 -32.631 1.00 32.32 ? 49 PHE A CD1 1 ATOM 353 C CD2 . PHE A 1 49 ? 37.724 14.631 -34.972 1.00 33.44 ? 49 PHE A CD2 1 ATOM 354 C CE1 . PHE A 1 49 ? 36.246 15.265 -32.703 1.00 29.10 ? 49 PHE A CE1 1 ATOM 355 C CE2 . PHE A 1 49 ? 36.341 14.708 -35.039 1.00 33.05 ? 49 PHE A CE2 1 ATOM 356 C CZ . PHE A 1 49 ? 35.607 15.027 -33.903 1.00 31.44 ? 49 PHE A CZ 1 ATOM 357 N N . THR A 1 50 ? 42.517 14.648 -31.648 1.00 31.84 ? 50 THR A N 1 ATOM 358 C CA . THR A 1 50 ? 43.950 14.353 -31.604 1.00 32.17 ? 50 THR A CA 1 ATOM 359 C C . THR A 1 50 ? 44.149 12.875 -31.960 1.00 32.98 ? 50 THR A C 1 ATOM 360 O O . THR A 1 50 ? 45.272 12.353 -31.985 1.00 34.16 ? 50 THR A O 1 ATOM 361 C CB . THR A 1 50 ? 44.617 14.736 -30.238 1.00 31.99 ? 50 THR A CB 1 ATOM 362 O OG1 . THR A 1 50 ? 43.913 14.127 -29.152 1.00 32.04 ? 50 THR A OG1 1 ATOM 363 C CG2 . THR A 1 50 ? 44.578 16.231 -30.005 1.00 30.42 ? 50 THR A CG2 1 ATOM 364 N N . LYS A 1 51 ? 43.044 12.204 -32.269 1.00 31.94 ? 51 LYS A N 1 ATOM 365 C CA . LYS A 1 51 ? 43.102 10.830 -32.771 1.00 31.23 ? 51 LYS A CA 1 ATOM 366 C C . LYS A 1 51 ? 42.207 10.699 -33.980 1.00 30.55 ? 51 LYS A C 1 ATOM 367 O O . LYS A 1 51 ? 41.237 11.435 -34.093 1.00 30.21 ? 51 LYS A O 1 ATOM 368 C CB . LYS A 1 51 ? 42.637 9.860 -31.675 1.00 31.44 ? 51 LYS A CB 1 ATOM 369 C CG . LYS A 1 51 ? 43.640 9.699 -30.518 1.00 31.20 ? 51 LYS A CG 1 ATOM 370 C CD . LYS A 1 51 ? 44.893 8.945 -30.988 1.00 32.19 ? 51 LYS A CD 1 ATOM 371 C CE . LYS A 1 51 ? 45.895 8.727 -29.840 1.00 32.69 ? 51 LYS A CE 1 ATOM 372 N NZ . LYS A 1 51 ? 46.265 9.999 -29.143 1.00 33.09 ? 51 LYS A NZ 1 ATOM 373 N N . PRO A 1 52 ? 42.499 9.753 -34.886 1.00 31.03 ? 52 PRO A N 1 ATOM 374 C CA . PRO A 1 52 ? 41.515 9.594 -35.978 1.00 31.37 ? 52 PRO A CA 1 ATOM 375 C C . PRO A 1 52 ? 40.103 9.239 -35.466 1.00 31.06 ? 52 PRO A C 1 ATOM 376 O O . PRO A 1 52 ? 39.106 9.659 -36.067 1.00 31.82 ? 52 PRO A O 1 ATOM 377 C CB . PRO A 1 52 ? 42.103 8.464 -36.860 1.00 32.62 ? 52 PRO A CB 1 ATOM 378 C CG . PRO A 1 52 ? 43.498 8.213 -36.350 1.00 33.02 ? 52 PRO A CG 1 ATOM 379 C CD . PRO A 1 52 ? 43.587 8.757 -34.940 1.00 31.20 ? 52 PRO A CD 1 ATOM 380 N N . TRP A 1 53 ? 40.033 8.523 -34.342 1.00 30.09 ? 53 TRP A N 1 ATOM 381 C CA . TRP A 1 53 ? 38.768 8.040 -33.757 1.00 29.95 ? 53 TRP A CA 1 ATOM 382 C C . TRP A 1 53 ? 38.111 8.916 -32.656 1.00 28.63 ? 53 TRP A C 1 ATOM 383 O O . TRP A 1 53 ? 37.156 8.488 -32.009 1.00 27.59 ? 53 TRP A O 1 ATOM 384 C CB . TRP A 1 53 ? 38.977 6.631 -33.189 1.00 29.74 ? 53 TRP A CB 1 ATOM 385 C CG . TRP A 1 53 ? 40.249 6.462 -32.403 1.00 29.35 ? 53 TRP A CG 1 ATOM 386 C CD1 . TRP A 1 53 ? 41.475 6.047 -32.897 1.00 27.92 ? 53 TRP A CD1 1 ATOM 387 C CD2 . TRP A 1 53 ? 40.440 6.672 -30.987 1.00 27.20 ? 53 TRP A CD2 1 ATOM 388 N NE1 . TRP A 1 53 ? 42.396 5.993 -31.876 1.00 27.13 ? 53 TRP A NE1 1 ATOM 389 C CE2 . TRP A 1 53 ? 41.796 6.370 -30.699 1.00 27.29 ? 53 TRP A CE2 1 ATOM 390 C CE3 . TRP A 1 53 ? 39.594 7.064 -29.935 1.00 26.92 ? 53 TRP A CE3 1 ATOM 391 C CZ2 . TRP A 1 53 ? 42.330 6.449 -29.392 1.00 27.08 ? 53 TRP A CZ2 1 ATOM 392 C CZ3 . TRP A 1 53 ? 40.126 7.131 -28.624 1.00 27.89 ? 53 TRP A CZ3 1 ATOM 393 C CH2 . TRP A 1 53 ? 41.482 6.826 -28.373 1.00 26.77 ? 53 TRP A CH2 1 ATOM 394 N N . SER A 1 54 ? 38.615 10.125 -32.451 1.00 27.89 ? 54 SER A N 1 ATOM 395 C CA . SER A 1 54 ? 38.155 10.981 -31.366 1.00 27.48 ? 54 SER A CA 1 ATOM 396 C C . SER A 1 54 ? 36.676 11.408 -31.436 1.00 28.02 ? 54 SER A C 1 ATOM 397 O O . SER A 1 54 ? 36.168 12.004 -30.495 1.00 27.07 ? 54 SER A O 1 ATOM 398 C CB . SER A 1 54 ? 39.011 12.242 -31.318 1.00 27.31 ? 54 SER A CB 1 ATOM 399 O OG . SER A 1 54 ? 40.359 11.927 -31.044 1.00 27.45 ? 54 SER A OG 1 ATOM 400 N N . GLN A 1 55 ? 35.997 11.143 -32.553 1.00 29.30 ? 55 GLN A N 1 ATOM 401 C CA . GLN A 1 55 ? 34.565 11.415 -32.627 1.00 29.62 ? 55 GLN A CA 1 ATOM 402 C C . GLN A 1 55 ? 33.768 10.232 -32.049 1.00 29.65 ? 55 GLN A C 1 ATOM 403 O O . GLN A 1 55 ? 32.557 10.314 -31.889 1.00 29.54 ? 55 GLN A O 1 ATOM 404 C CB . GLN A 1 55 ? 34.123 11.682 -34.077 1.00 30.76 ? 55 GLN A CB 1 ATOM 405 C CG . GLN A 1 55 ? 32.737 12.344 -34.175 1.00 31.46 ? 55 GLN A CG 1 ATOM 406 C CD . GLN A 1 55 ? 32.378 12.706 -35.597 1.00 33.19 ? 55 GLN A CD 1 ATOM 407 O OE1 . GLN A 1 55 ? 33.067 13.501 -36.218 1.00 34.20 ? 55 GLN A OE1 1 ATOM 408 N NE2 . GLN A 1 55 ? 31.294 12.120 -36.124 1.00 31.75 ? 55 GLN A NE2 1 ATOM 409 N N . GLY A 1 56 ? 34.452 9.137 -31.746 1.00 29.80 ? 56 GLY A N 1 ATOM 410 C CA . GLY A 1 56 ? 33.787 7.962 -31.212 1.00 31.79 ? 56 GLY A CA 1 ATOM 411 C C . GLY A 1 56 ? 32.800 7.380 -32.202 1.00 34.36 ? 56 GLY A C 1 ATOM 412 O O . GLY A 1 56 ? 33.105 7.250 -33.390 1.00 34.71 ? 56 GLY A O 1 ATOM 413 N N . LYS A 1 57 ? 31.610 7.045 -31.716 1.00 35.85 ? 57 LYS A N 1 ATOM 414 C CA . LYS A 1 57 ? 30.546 6.494 -32.561 1.00 38.55 ? 57 LYS A CA 1 ATOM 415 C C . LYS A 1 57 ? 29.456 7.554 -32.792 1.00 38.82 ? 57 LYS A C 1 ATOM 416 O O . LYS A 1 57 ? 28.391 7.259 -33.324 1.00 40.45 ? 57 LYS A O 1 ATOM 417 C CB . LYS A 1 57 ? 29.951 5.216 -31.949 1.00 39.95 ? 57 LYS A CB 1 ATOM 418 C CG . LYS A 1 57 ? 30.877 3.985 -31.959 1.00 42.59 ? 57 LYS A CG 1 ATOM 419 C CD . LYS A 1 57 ? 31.084 3.396 -33.366 1.00 47.43 ? 57 LYS A CD 1 ATOM 420 C CE . LYS A 1 57 ? 31.898 2.098 -33.308 1.00 50.51 ? 57 LYS A CE 1 ATOM 421 N NZ . LYS A 1 57 ? 32.135 1.514 -34.662 1.00 53.50 ? 57 LYS A NZ 1 ATOM 422 N N . LEU A 1 58 ? 29.746 8.794 -32.412 1.00 37.23 ? 58 LEU A N 1 ATOM 423 C CA . LEU A 1 58 ? 28.844 9.904 -32.705 1.00 37.44 ? 58 LEU A CA 1 ATOM 424 C C . LEU A 1 58 ? 28.793 10.231 -34.206 1.00 38.49 ? 58 LEU A C 1 ATOM 425 O O . LEU A 1 58 ? 29.831 10.419 -34.851 1.00 37.83 ? 58 LEU A O 1 ATOM 426 C CB . LEU A 1 58 ? 29.269 11.139 -31.906 1.00 35.48 ? 58 LEU A CB 1 ATOM 427 C CG . LEU A 1 58 ? 29.155 11.061 -30.378 1.00 35.40 ? 58 LEU A CG 1 ATOM 428 C CD1 . LEU A 1 58 ? 29.461 12.411 -29.758 1.00 32.42 ? 58 LEU A CD1 1 ATOM 429 C CD2 . LEU A 1 58 ? 27.765 10.567 -29.913 1.00 37.49 ? 58 LEU A CD2 1 ATOM 430 N N . SER A 1 59 ? 27.584 10.269 -34.762 1.00 40.11 ? 59 SER A N 1 ATOM 431 C CA . SER A 1 59 ? 27.366 10.851 -36.086 1.00 41.36 ? 59 SER A CA 1 ATOM 432 C C . SER A 1 59 ? 27.854 12.299 -36.119 1.00 40.49 ? 59 SER A C 1 ATOM 433 O O . SER A 1 59 ? 27.963 12.960 -35.071 1.00 38.49 ? 59 SER A O 1 ATOM 434 C CB . SER A 1 59 ? 25.879 10.829 -36.438 1.00 43.00 ? 59 SER A CB 1 ATOM 435 O OG . SER A 1 59 ? 25.167 11.823 -35.724 1.00 41.40 ? 59 SER A OG 1 ATOM 436 N N . ASN A 1 60 ? 28.147 12.783 -37.321 1.00 42.17 ? 60 ASN A N 1 ATOM 437 C CA . ASN A 1 60 ? 28.515 14.180 -37.536 1.00 42.22 ? 60 ASN A CA 1 ATOM 438 C C . ASN A 1 60 ? 27.514 15.133 -36.903 1.00 42.66 ? 60 ASN A C 1 ATOM 439 O O . ASN A 1 60 ? 27.902 16.132 -36.292 1.00 42.22 ? 60 ASN A O 1 ATOM 440 C CB . ASN A 1 60 ? 28.615 14.481 -39.029 1.00 43.63 ? 60 ASN A CB 1 ATOM 441 C CG . ASN A 1 60 ? 29.802 13.805 -39.685 1.00 44.27 ? 60 ASN A CG 1 ATOM 442 O OD1 . ASN A 1 60 ? 30.753 13.383 -39.016 1.00 43.04 ? 60 ASN A OD1 1 ATOM 443 N ND2 . ASN A 1 60 ? 29.757 13.702 -41.012 1.00 45.63 ? 60 ASN A ND2 1 ATOM 444 N N . GLN A 1 61 ? 26.232 14.811 -37.022 1.00 44.80 ? 61 GLN A N 1 ATOM 445 C CA . GLN A 1 61 ? 25.171 15.678 -36.524 1.00 46.28 ? 61 GLN A CA 1 ATOM 446 C C . GLN A 1 61 ? 25.227 15.788 -35.004 1.00 44.45 ? 61 GLN A C 1 ATOM 447 O O . GLN A 1 61 ? 25.075 16.885 -34.449 1.00 43.78 ? 61 GLN A O 1 ATOM 448 C CB . GLN A 1 61 ? 23.802 15.147 -36.961 1.00 48.91 ? 61 GLN A CB 1 ATOM 449 C CG . GLN A 1 61 ? 22.735 16.216 -37.216 1.00 53.53 ? 61 GLN A CG 1 ATOM 450 C CD . GLN A 1 61 ? 21.404 15.616 -37.713 1.00 60.57 ? 61 GLN A CD 1 ATOM 451 O OE1 . GLN A 1 61 ? 21.150 15.519 -38.930 1.00 63.93 ? 61 GLN A OE1 1 ATOM 452 N NE2 . GLN A 1 61 ? 20.561 15.190 -36.770 1.00 60.88 ? 61 GLN A NE2 1 ATOM 453 N N . GLN A 1 62 ? 25.430 14.654 -34.334 1.00 43.94 ? 62 GLN A N 1 ATOM 454 C CA . GLN A 1 62 ? 25.483 14.621 -32.878 1.00 42.79 ? 62 GLN A CA 1 ATOM 455 C C . GLN A 1 62 ? 26.751 15.272 -32.376 1.00 40.62 ? 62 GLN A C 1 ATOM 456 O O . GLN A 1 62 ? 26.741 15.931 -31.322 1.00 39.48 ? 62 GLN A O 1 ATOM 457 C CB . GLN A 1 62 ? 25.452 13.193 -32.357 1.00 44.22 ? 62 GLN A CB 1 ATOM 458 C CG . GLN A 1 62 ? 24.278 12.341 -32.817 1.00 47.32 ? 62 GLN A CG 1 ATOM 459 C CD . GLN A 1 62 ? 24.548 10.870 -32.544 1.00 51.56 ? 62 GLN A CD 1 ATOM 460 O OE1 . GLN A 1 62 ? 25.429 10.259 -33.152 1.00 52.49 ? 62 GLN A OE1 1 ATOM 461 N NE2 . GLN A 1 62 ? 23.808 10.302 -31.607 1.00 54.26 ? 62 GLN A NE2 1 ATOM 462 N N . TRP A 1 63 ? 27.848 15.073 -33.112 1.00 39.49 ? 63 TRP A N 1 ATOM 463 C CA . TRP A 1 63 ? 29.109 15.725 -32.753 1.00 37.29 ? 63 TRP A CA 1 ATOM 464 C C . TRP A 1 63 ? 28.973 17.246 -32.838 1.00 36.87 ? 63 TRP A C 1 ATOM 465 O O . TRP A 1 63 ? 29.336 17.959 -31.905 1.00 34.96 ? 63 TRP A O 1 ATOM 466 C CB . TRP A 1 63 ? 30.308 15.255 -33.600 1.00 36.13 ? 63 TRP A CB 1 ATOM 467 C CG . TRP A 1 63 ? 31.520 16.046 -33.241 1.00 32.76 ? 63 TRP A CG 1 ATOM 468 C CD1 . TRP A 1 63 ? 32.170 16.975 -34.022 1.00 31.45 ? 63 TRP A CD1 1 ATOM 469 C CD2 . TRP A 1 63 ? 32.191 16.051 -31.973 1.00 29.13 ? 63 TRP A CD2 1 ATOM 470 N NE1 . TRP A 1 63 ? 33.214 17.532 -33.323 1.00 26.89 ? 63 TRP A NE1 1 ATOM 471 C CE2 . TRP A 1 63 ? 33.251 16.984 -32.065 1.00 28.24 ? 63 TRP A CE2 1 ATOM 472 C CE3 . TRP A 1 63 ? 32.002 15.352 -30.767 1.00 28.39 ? 63 TRP A CE3 1 ATOM 473 C CZ2 . TRP A 1 63 ? 34.129 17.234 -30.994 1.00 25.63 ? 63 TRP A CZ2 1 ATOM 474 C CZ3 . TRP A 1 63 ? 32.868 15.599 -29.702 1.00 26.80 ? 63 TRP A CZ3 1 ATOM 475 C CH2 . TRP A 1 63 ? 33.919 16.543 -29.823 1.00 26.15 ? 63 TRP A CH2 1 ATOM 476 N N . GLU A 1 64 ? 28.453 17.717 -33.966 1.00 38.35 ? 64 GLU A N 1 ATOM 477 C CA . GLU A 1 64 ? 28.266 19.149 -34.180 1.00 39.30 ? 64 GLU A CA 1 ATOM 478 C C . GLU A 1 64 ? 27.403 19.798 -33.118 1.00 38.12 ? 64 GLU A C 1 ATOM 479 O O . GLU A 1 64 ? 27.717 20.883 -32.644 1.00 37.00 ? 64 GLU A O 1 ATOM 480 C CB . GLU A 1 64 ? 27.707 19.447 -35.580 1.00 40.82 ? 64 GLU A CB 1 ATOM 481 C CG . GLU A 1 64 ? 28.821 19.669 -36.592 1.00 43.32 ? 64 GLU A CG 1 ATOM 482 N N . LYS A 1 65 ? 26.322 19.117 -32.760 1.00 39.26 ? 65 LYS A N 1 ATOM 483 C CA . LYS A 1 65 ? 25.404 19.570 -31.712 1.00 39.48 ? 65 LYS A CA 1 ATOM 484 C C . LYS A 1 65 ? 26.093 19.607 -30.345 1.00 37.10 ? 65 LYS A C 1 ATOM 485 O O . LYS A 1 65 ? 25.861 20.507 -29.539 1.00 37.04 ? 65 LYS A O 1 ATOM 486 C CB . LYS A 1 65 ? 24.163 18.654 -31.693 1.00 41.43 ? 65 LYS A CB 1 ATOM 487 C CG . LYS A 1 65 ? 23.455 18.538 -30.341 1.00 43.51 ? 65 LYS A CG 1 ATOM 488 N N . LEU A 1 66 ? 26.947 18.623 -30.090 1.00 35.67 ? 66 LEU A N 1 ATOM 489 C CA . LEU A 1 66 ? 27.633 18.544 -28.824 1.00 33.84 ? 66 LEU A CA 1 ATOM 490 C C . LEU A 1 66 ? 28.733 19.620 -28.756 1.00 32.63 ? 66 LEU A C 1 ATOM 491 O O . LEU A 1 66 ? 28.849 20.329 -27.759 1.00 31.16 ? 66 LEU A O 1 ATOM 492 C CB . LEU A 1 66 ? 28.189 17.143 -28.598 1.00 33.47 ? 66 LEU A CB 1 ATOM 493 C CG . LEU A 1 66 ? 28.901 16.894 -27.268 1.00 33.50 ? 66 LEU A CG 1 ATOM 494 C CD1 . LEU A 1 66 ? 27.920 17.103 -26.117 1.00 33.83 ? 66 LEU A CD1 1 ATOM 495 C CD2 . LEU A 1 66 ? 29.490 15.494 -27.234 1.00 32.30 ? 66 LEU A CD2 1 ATOM 496 N N . GLN A 1 67 ? 29.501 19.766 -29.829 1.00 32.47 ? 67 GLN A N 1 ATOM 497 C CA . GLN A 1 67 ? 30.487 20.819 -29.879 1.00 32.35 ? 67 GLN A CA 1 ATOM 498 C C . GLN A 1 67 ? 29.832 22.200 -29.695 1.00 33.20 ? 67 GLN A C 1 ATOM 499 O O . GLN A 1 67 ? 30.352 23.036 -28.924 1.00 32.31 ? 67 GLN A O 1 ATOM 500 C CB . GLN A 1 67 ? 31.243 20.771 -31.195 1.00 33.03 ? 67 GLN A CB 1 ATOM 501 C CG . GLN A 1 67 ? 32.271 21.887 -31.331 1.00 33.64 ? 67 GLN A CG 1 ATOM 502 C CD . GLN A 1 67 ? 33.070 21.766 -32.585 1.00 36.70 ? 67 GLN A CD 1 ATOM 503 O OE1 . GLN A 1 67 ? 34.284 21.560 -32.535 1.00 35.36 ? 67 GLN A OE1 1 ATOM 504 N NE2 . GLN A 1 67 ? 32.391 21.878 -33.744 1.00 36.65 ? 67 GLN A NE2 1 ATOM 505 N N . HIS A 1 68 ? 28.712 22.443 -30.397 1.00 34.13 ? 68 HIS A N 1 ATOM 506 C CA . HIS A 1 68 ? 28.009 23.718 -30.263 1.00 35.71 ? 68 HIS A CA 1 ATOM 507 C C . HIS A 1 68 ? 27.601 24.030 -28.810 1.00 34.27 ? 68 HIS A C 1 ATOM 508 O O . HIS A 1 68 ? 27.778 25.152 -28.345 1.00 34.82 ? 68 HIS A O 1 ATOM 509 C CB . HIS A 1 68 ? 26.793 23.829 -31.191 1.00 37.46 ? 68 HIS A CB 1 ATOM 510 C CG . HIS A 1 68 ? 26.140 25.175 -31.145 1.00 41.63 ? 68 HIS A CG 1 ATOM 511 N ND1 . HIS A 1 68 ? 24.821 25.356 -30.778 1.00 44.49 ? 68 HIS A ND1 1 ATOM 512 C CD2 . HIS A 1 68 ? 26.639 26.416 -31.375 1.00 44.61 ? 68 HIS A CD2 1 ATOM 513 C CE1 . HIS A 1 68 ? 24.531 26.645 -30.812 1.00 45.43 ? 68 HIS A CE1 1 ATOM 514 N NE2 . HIS A 1 68 ? 25.617 27.311 -31.167 1.00 45.24 ? 68 HIS A NE2 1 ATOM 515 N N . MET A 1 69 ? 27.073 23.047 -28.094 1.00 33.47 ? 69 MET A N 1 ATOM 516 C CA . MET A 1 69 ? 26.827 23.226 -26.666 1.00 32.65 ? 69 MET A CA 1 ATOM 517 C C . MET A 1 69 ? 28.098 23.655 -25.899 1.00 30.57 ? 69 MET A C 1 ATOM 518 O O . MET A 1 69 ? 28.058 24.596 -25.102 1.00 30.12 ? 69 MET A O 1 ATOM 519 C CB . MET A 1 69 ? 26.208 21.971 -26.061 1.00 33.27 ? 69 MET A CB 1 ATOM 520 C CG . MET A 1 69 ? 25.811 22.164 -24.591 1.00 37.29 ? 69 MET A CG 1 ATOM 521 S SD . MET A 1 69 ? 26.984 21.379 -23.468 1.00 46.32 ? 69 MET A SD 1 ATOM 522 C CE . MET A 1 69 ? 26.086 19.824 -23.489 1.00 41.69 ? 69 MET A CE 1 ATOM 523 N N . PHE A 1 70 ? 29.229 22.999 -26.152 1.00 28.59 ? 70 PHE A N 1 ATOM 524 C CA . PHE A 1 70 ? 30.463 23.400 -25.502 1.00 27.11 ? 70 PHE A CA 1 ATOM 525 C C . PHE A 1 70 ? 30.934 24.788 -25.940 1.00 27.38 ? 70 PHE A C 1 ATOM 526 O O . PHE A 1 70 ? 31.426 25.527 -25.121 1.00 27.16 ? 70 PHE A O 1 ATOM 527 C CB . PHE A 1 70 ? 31.573 22.355 -25.676 1.00 26.41 ? 70 PHE A CB 1 ATOM 528 C CG . PHE A 1 70 ? 31.375 21.140 -24.817 1.00 27.40 ? 70 PHE A CG 1 ATOM 529 C CD1 . PHE A 1 70 ? 31.520 21.222 -23.432 1.00 26.60 ? 70 PHE A CD1 1 ATOM 530 C CD2 . PHE A 1 70 ? 31.016 19.913 -25.389 1.00 27.26 ? 70 PHE A CD2 1 ATOM 531 C CE1 . PHE A 1 70 ? 31.326 20.106 -22.626 1.00 28.64 ? 70 PHE A CE1 1 ATOM 532 C CE2 . PHE A 1 70 ? 30.830 18.790 -24.595 1.00 30.42 ? 70 PHE A CE2 1 ATOM 533 C CZ . PHE A 1 70 ? 30.977 18.885 -23.201 1.00 30.63 ? 70 PHE A CZ 1 ATOM 534 N N . GLN A 1 71 ? 30.790 25.140 -27.213 1.00 27.92 ? 71 GLN A N 1 ATOM 535 C CA . GLN A 1 71 ? 31.141 26.497 -27.657 1.00 28.82 ? 71 GLN A CA 1 ATOM 536 C C . GLN A 1 71 ? 30.389 27.552 -26.880 1.00 29.16 ? 71 GLN A C 1 ATOM 537 O O . GLN A 1 71 ? 30.974 28.546 -26.496 1.00 29.35 ? 71 GLN A O 1 ATOM 538 C CB . GLN A 1 71 ? 30.890 26.705 -29.154 1.00 29.19 ? 71 GLN A CB 1 ATOM 539 C CG . GLN A 1 71 ? 31.764 25.807 -30.010 1.00 30.53 ? 71 GLN A CG 1 ATOM 540 C CD . GLN A 1 71 ? 31.377 25.825 -31.468 1.00 31.99 ? 71 GLN A CD 1 ATOM 541 O OE1 . GLN A 1 71 ? 30.204 25.827 -31.811 1.00 35.64 ? 71 GLN A OE1 1 ATOM 542 N NE2 . GLN A 1 71 ? 32.362 25.826 -32.330 1.00 31.84 ? 71 GLN A NE2 1 ATOM 543 N N . VAL A 1 72 ? 29.088 27.355 -26.677 1.00 30.03 ? 72 VAL A N 1 ATOM 544 C CA . VAL A 1 72 ? 28.284 28.300 -25.888 1.00 30.36 ? 72 VAL A CA 1 ATOM 545 C C . VAL A 1 72 ? 28.684 28.266 -24.403 1.00 29.60 ? 72 VAL A C 1 ATOM 546 O O . VAL A 1 72 ? 28.720 29.312 -23.715 1.00 29.90 ? 72 VAL A O 1 ATOM 547 C CB . VAL A 1 72 ? 26.778 27.997 -26.037 1.00 31.83 ? 72 VAL A CB 1 ATOM 548 C CG1 . VAL A 1 72 ? 25.938 28.956 -25.214 1.00 32.38 ? 72 VAL A CG1 1 ATOM 549 C CG2 . VAL A 1 72 ? 26.357 28.087 -27.512 1.00 33.66 ? 72 VAL A CG2 1 ATOM 550 N N . TYR A 1 73 ? 28.985 27.066 -23.908 1.00 27.86 ? 73 TYR A N 1 ATOM 551 C CA . TYR A 1 73 ? 29.436 26.917 -22.563 1.00 26.68 ? 73 TYR A CA 1 ATOM 552 C C . TYR A 1 73 ? 30.711 27.750 -22.316 1.00 26.82 ? 73 TYR A C 1 ATOM 553 O O . TYR A 1 73 ? 30.843 28.454 -21.284 1.00 26.33 ? 73 TYR A O 1 ATOM 554 C CB . TYR A 1 73 ? 29.707 25.439 -22.263 1.00 26.55 ? 73 TYR A CB 1 ATOM 555 C CG . TYR A 1 73 ? 30.625 25.259 -21.085 1.00 26.01 ? 73 TYR A CG 1 ATOM 556 C CD1 . TYR A 1 73 ? 30.172 25.514 -19.800 1.00 24.44 ? 73 TYR A CD1 1 ATOM 557 C CD2 . TYR A 1 73 ? 31.959 24.870 -21.263 1.00 26.53 ? 73 TYR A CD2 1 ATOM 558 C CE1 . TYR A 1 73 ? 30.996 25.363 -18.697 1.00 24.78 ? 73 TYR A CE1 1 ATOM 559 C CE2 . TYR A 1 73 ? 32.818 24.725 -20.163 1.00 25.01 ? 73 TYR A CE2 1 ATOM 560 C CZ . TYR A 1 73 ? 32.319 24.973 -18.884 1.00 25.37 ? 73 TYR A CZ 1 ATOM 561 O OH . TYR A 1 73 ? 33.113 24.848 -17.786 1.00 24.00 ? 73 TYR A OH 1 ATOM 562 N N . ARG A 1 74 ? 31.656 27.677 -23.250 1.00 25.97 ? 74 ARG A N 1 ATOM 563 C CA . ARG A 1 74 ? 32.943 28.297 -22.969 1.00 25.72 ? 74 ARG A CA 1 ATOM 564 C C . ARG A 1 74 ? 32.795 29.815 -22.799 1.00 25.60 ? 74 ARG A C 1 ATOM 565 O O . ARG A 1 74 ? 33.310 30.386 -21.852 1.00 25.10 ? 74 ARG A O 1 ATOM 566 C CB . ARG A 1 74 ? 34.003 27.893 -23.999 1.00 25.75 ? 74 ARG A CB 1 ATOM 567 C CG . ARG A 1 74 ? 35.364 28.547 -23.759 1.00 24.68 ? 74 ARG A CG 1 ATOM 568 C CD . ARG A 1 74 ? 36.357 28.041 -24.781 1.00 24.74 ? 74 ARG A CD 1 ATOM 569 N NE . ARG A 1 74 ? 36.188 28.734 -26.063 1.00 26.02 ? 74 ARG A NE 1 ATOM 570 C CZ . ARG A 1 74 ? 37.054 28.658 -27.062 1.00 27.72 ? 74 ARG A CZ 1 ATOM 571 N NH1 . ARG A 1 74 ? 38.148 27.888 -26.958 1.00 25.77 ? 74 ARG A NH1 1 ATOM 572 N NH2 . ARG A 1 74 ? 36.833 29.356 -28.163 1.00 30.46 ? 74 ARG A NH2 1 ATOM 573 N N . VAL A 1 75 ? 32.037 30.442 -23.694 1.00 26.57 ? 75 VAL A N 1 ATOM 574 C CA . VAL A 1 75 ? 31.695 31.877 -23.577 1.00 27.18 ? 75 VAL A CA 1 ATOM 575 C C . VAL A 1 75 ? 30.902 32.202 -22.293 1.00 26.83 ? 75 VAL A C 1 ATOM 576 O O . VAL A 1 75 ? 31.146 33.204 -21.641 1.00 28.13 ? 75 VAL A O 1 ATOM 577 C CB . VAL A 1 75 ? 30.895 32.346 -24.807 1.00 28.43 ? 75 VAL A CB 1 ATOM 578 C CG1 . VAL A 1 75 ? 30.387 33.811 -24.625 1.00 29.90 ? 75 VAL A CG1 1 ATOM 579 C CG2 . VAL A 1 75 ? 31.739 32.214 -26.078 1.00 28.10 ? 75 VAL A CG2 1 ATOM 580 N N . SER A 1 76 ? 29.939 31.357 -21.954 1.00 26.12 ? 76 SER A N 1 ATOM 581 C CA . SER A 1 76 ? 29.061 31.577 -20.830 1.00 25.97 ? 76 SER A CA 1 ATOM 582 C C . SER A 1 76 ? 29.797 31.457 -19.497 1.00 25.86 ? 76 SER A C 1 ATOM 583 O O . SER A 1 76 ? 29.678 32.342 -18.626 1.00 26.36 ? 76 SER A O 1 ATOM 584 C CB . SER A 1 76 ? 27.924 30.553 -20.869 1.00 26.02 ? 76 SER A CB 1 ATOM 585 O OG . SER A 1 76 ? 27.171 30.711 -22.046 1.00 25.60 ? 76 SER A OG 1 ATOM 586 N N . PHE A 1 77 ? 30.537 30.352 -19.344 1.00 24.74 ? 77 PHE A N 1 ATOM 587 C CA . PHE A 1 77 ? 31.397 30.105 -18.186 1.00 24.31 ? 77 PHE A CA 1 ATOM 588 C C . PHE A 1 77 ? 32.237 31.348 -17.903 1.00 24.70 ? 77 PHE A C 1 ATOM 589 O O . PHE A 1 77 ? 32.334 31.836 -16.762 1.00 24.94 ? 77 PHE A O 1 ATOM 590 C CB . PHE A 1 77 ? 32.348 28.922 -18.494 1.00 23.82 ? 77 PHE A CB 1 ATOM 591 C CG . PHE A 1 77 ? 33.490 28.782 -17.507 1.00 24.00 ? 77 PHE A CG 1 ATOM 592 C CD1 . PHE A 1 77 ? 33.323 28.066 -16.318 1.00 23.78 ? 77 PHE A CD1 1 ATOM 593 C CD2 . PHE A 1 77 ? 34.719 29.392 -17.752 1.00 23.16 ? 77 PHE A CD2 1 ATOM 594 C CE1 . PHE A 1 77 ? 34.381 27.941 -15.403 1.00 23.57 ? 77 PHE A CE1 1 ATOM 595 C CE2 . PHE A 1 77 ? 35.766 29.283 -16.837 1.00 24.18 ? 77 PHE A CE2 1 ATOM 596 C CZ . PHE A 1 77 ? 35.603 28.552 -15.673 1.00 22.87 ? 77 PHE A CZ 1 ATOM 597 N N . THR A 1 78 ? 32.868 31.838 -18.958 1.00 25.27 ? 78 THR A N 1 ATOM 598 C CA . THR A 1 78 ? 33.811 32.955 -18.851 1.00 25.58 ? 78 THR A CA 1 ATOM 599 C C . THR A 1 78 ? 33.117 34.196 -18.261 1.00 26.15 ? 78 THR A C 1 ATOM 600 O O . THR A 1 78 ? 33.595 34.764 -17.270 1.00 26.29 ? 78 THR A O 1 ATOM 601 C CB . THR A 1 78 ? 34.476 33.209 -20.214 1.00 26.16 ? 78 THR A CB 1 ATOM 602 O OG1 . THR A 1 78 ? 35.165 32.017 -20.614 1.00 25.23 ? 78 THR A OG1 1 ATOM 603 C CG2 . THR A 1 78 ? 35.469 34.364 -20.172 1.00 27.01 ? 78 THR A CG2 1 ATOM 604 N N . ARG A 1 79 ? 31.965 34.580 -18.816 1.00 26.36 ? 79 ARG A N 1 ATOM 605 C CA . ARG A 1 79 ? 31.216 35.722 -18.260 1.00 26.18 ? 79 ARG A CA 1 ATOM 606 C C . ARG A 1 79 ? 30.714 35.434 -16.858 1.00 25.67 ? 79 ARG A C 1 ATOM 607 O O . ARG A 1 79 ? 30.761 36.297 -15.982 1.00 26.03 ? 79 ARG A O 1 ATOM 608 C CB . ARG A 1 79 ? 30.071 36.148 -19.169 1.00 26.73 ? 79 ARG A CB 1 ATOM 609 C CG . ARG A 1 79 ? 29.757 37.675 -19.055 1.00 29.13 ? 79 ARG A CG 1 ATOM 610 C CD . ARG A 1 79 ? 28.448 38.049 -19.745 1.00 28.20 ? 79 ARG A CD 1 ATOM 611 N NE . ARG A 1 79 ? 27.273 37.426 -19.100 1.00 27.06 ? 79 ARG A NE 1 ATOM 612 C CZ . ARG A 1 79 ? 26.037 37.426 -19.620 1.00 29.04 ? 79 ARG A CZ 1 ATOM 613 N NH1 . ARG A 1 79 ? 25.786 37.989 -20.808 1.00 24.34 ? 79 ARG A NH1 1 ATOM 614 N NH2 . ARG A 1 79 ? 25.048 36.837 -18.963 1.00 28.12 ? 79 ARG A NH2 1 ATOM 615 N N . ASP A 1 80 ? 30.247 34.208 -16.630 1.00 25.28 ? 80 ASP A N 1 ATOM 616 C CA . ASP A 1 80 ? 29.759 33.844 -15.325 1.00 25.55 ? 80 ASP A CA 1 ATOM 617 C C . ASP A 1 80 ? 30.790 34.019 -14.202 1.00 25.74 ? 80 ASP A C 1 ATOM 618 O O . ASP A 1 80 ? 30.482 34.579 -13.147 1.00 26.57 ? 80 ASP A O 1 ATOM 619 C CB . ASP A 1 80 ? 29.178 32.423 -15.350 1.00 24.61 ? 80 ASP A CB 1 ATOM 620 C CG . ASP A 1 80 ? 27.780 32.382 -15.966 1.00 25.98 ? 80 ASP A CG 1 ATOM 621 O OD1 . ASP A 1 80 ? 27.275 33.423 -16.497 1.00 24.40 ? 80 ASP A OD1 1 ATOM 622 O OD2 . ASP A 1 80 ? 27.191 31.296 -15.919 1.00 26.64 ? 80 ASP A OD2 1 ATOM 623 N N . ILE A 1 81 ? 32.004 33.530 -14.419 1.00 25.63 ? 81 ILE A N 1 ATOM 624 C CA . ILE A 1 81 ? 33.074 33.740 -13.473 1.00 25.94 ? 81 ILE A CA 1 ATOM 625 C C . ILE A 1 81 ? 33.268 35.239 -13.224 1.00 27.28 ? 81 ILE A C 1 ATOM 626 O O . ILE A 1 81 ? 33.310 35.697 -12.072 1.00 27.14 ? 81 ILE A O 1 ATOM 627 C CB . ILE A 1 81 ? 34.398 33.062 -13.947 1.00 26.09 ? 81 ILE A CB 1 ATOM 628 C CG1 . ILE A 1 81 ? 34.231 31.534 -14.069 1.00 25.26 ? 81 ILE A CG1 1 ATOM 629 C CG2 . ILE A 1 81 ? 35.540 33.359 -12.989 1.00 28.31 ? 81 ILE A CG2 1 ATOM 630 C CD1 . ILE A 1 81 ? 33.725 30.809 -12.774 1.00 22.76 ? 81 ILE A CD1 1 ATOM 631 N N . GLN A 1 82 ? 33.370 36.007 -14.306 1.00 27.90 ? 82 GLN A N 1 ATOM 632 C CA . GLN A 1 82 ? 33.603 37.435 -14.194 1.00 29.42 ? 82 GLN A CA 1 ATOM 633 C C . GLN A 1 82 ? 32.533 38.117 -13.359 1.00 29.71 ? 82 GLN A C 1 ATOM 634 O O . GLN A 1 82 ? 32.851 39.049 -12.601 1.00 30.57 ? 82 GLN A O 1 ATOM 635 C CB . GLN A 1 82 ? 33.686 38.078 -15.569 1.00 30.14 ? 82 GLN A CB 1 ATOM 636 C CG . GLN A 1 82 ? 34.838 37.545 -16.381 1.00 32.86 ? 82 GLN A CG 1 ATOM 637 C CD . GLN A 1 82 ? 34.837 38.053 -17.815 1.00 36.06 ? 82 GLN A CD 1 ATOM 638 O OE1 . GLN A 1 82 ? 33.788 38.385 -18.380 1.00 37.26 ? 82 GLN A OE1 1 ATOM 639 N NE2 . GLN A 1 82 ? 36.011 38.095 -18.412 1.00 35.04 ? 82 GLN A NE2 1 ATOM 640 N N . GLU A 1 83 ? 31.283 37.641 -13.489 1.00 28.43 ? 83 GLU A N 1 ATOM 641 C CA . GLU A 1 83 ? 30.166 38.201 -12.747 1.00 28.56 ? 83 GLU A CA 1 ATOM 642 C C . GLU A 1 83 ? 30.162 37.663 -11.324 1.00 28.22 ? 83 GLU A C 1 ATOM 643 O O . GLU A 1 83 ? 29.782 38.392 -10.389 1.00 29.43 ? 83 GLU A O 1 ATOM 644 C CB . GLU A 1 83 ? 28.816 37.935 -13.426 1.00 28.16 ? 83 GLU A CB 1 ATOM 645 C CG . GLU A 1 83 ? 28.637 38.639 -14.784 1.00 29.42 ? 83 GLU A CG 1 ATOM 646 C CD . GLU A 1 83 ? 28.716 40.153 -14.678 1.00 28.92 ? 83 GLU A CD 1 ATOM 647 O OE1 . GLU A 1 83 ? 29.352 40.769 -15.537 1.00 31.05 ? 83 GLU A OE1 1 ATOM 648 O OE2 . GLU A 1 83 ? 28.150 40.738 -13.741 1.00 29.54 ? 83 GLU A OE2 1 ATOM 649 N N . LEU A 1 84 ? 30.574 36.408 -11.142 1.00 26.48 ? 84 LEU A N 1 ATOM 650 C CA . LEU A 1 84 ? 30.711 35.864 -9.772 1.00 26.66 ? 84 LEU A CA 1 ATOM 651 C C . LEU A 1 84 ? 31.781 36.592 -8.949 1.00 27.80 ? 84 LEU A C 1 ATOM 652 O O . LEU A 1 84 ? 31.605 36.764 -7.731 1.00 29.10 ? 84 LEU A O 1 ATOM 653 C CB . LEU A 1 84 ? 30.941 34.346 -9.757 1.00 25.66 ? 84 LEU A CB 1 ATOM 654 C CG . LEU A 1 84 ? 29.720 33.501 -10.174 1.00 25.71 ? 84 LEU A CG 1 ATOM 655 C CD1 . LEU A 1 84 ? 30.104 32.042 -10.497 1.00 22.87 ? 84 LEU A CD1 1 ATOM 656 C CD2 . LEU A 1 84 ? 28.602 33.596 -9.110 1.00 24.01 ? 84 LEU A CD2 1 ATOM 657 N N . VAL A 1 85 ? 32.834 37.069 -9.616 1.00 27.59 ? 85 VAL A N 1 ATOM 658 C CA . VAL A 1 85 ? 33.868 37.868 -8.967 1.00 28.95 ? 85 VAL A CA 1 ATOM 659 C C . VAL A 1 85 ? 33.295 39.224 -8.542 1.00 30.58 ? 85 VAL A C 1 ATOM 660 O O . VAL A 1 85 ? 33.392 39.617 -7.371 1.00 31.46 ? 85 VAL A O 1 ATOM 661 C CB . VAL A 1 85 ? 35.099 38.031 -9.888 1.00 29.78 ? 85 VAL A CB 1 ATOM 662 C CG1 . VAL A 1 85 ? 36.115 39.037 -9.313 1.00 31.16 ? 85 VAL A CG1 1 ATOM 663 C CG2 . VAL A 1 85 ? 35.759 36.680 -10.145 1.00 28.65 ? 85 VAL A CG2 1 ATOM 664 N N . LYS A 1 86 ? 32.667 39.934 -9.476 1.00 30.98 ? 86 LYS A N 1 ATOM 665 C CA . LYS A 1 86 ? 31.918 41.125 -9.106 1.00 32.20 ? 86 LYS A CA 1 ATOM 666 C C . LYS A 1 86 ? 30.973 40.900 -7.920 1.00 32.04 ? 86 LYS A C 1 ATOM 667 O O . LYS A 1 86 ? 30.872 41.745 -7.047 1.00 32.94 ? 86 LYS A O 1 ATOM 668 C CB . LYS A 1 86 ? 31.116 41.667 -10.287 1.00 32.65 ? 86 LYS A CB 1 ATOM 669 C CG . LYS A 1 86 ? 31.947 42.120 -11.451 1.00 32.98 ? 86 LYS A CG 1 ATOM 670 C CD . LYS A 1 86 ? 31.047 42.573 -12.551 1.00 31.80 ? 86 LYS A CD 1 ATOM 671 C CE . LYS A 1 86 ? 31.804 42.612 -13.859 1.00 32.64 ? 86 LYS A CE 1 ATOM 672 N NZ . LYS A 1 86 ? 30.850 42.953 -14.931 1.00 29.97 ? 86 LYS A NZ 1 ATOM 673 N N . MET A 1 87 ? 30.258 39.785 -7.916 1.00 31.42 ? 87 MET A N 1 ATOM 674 C CA . MET A 1 87 ? 29.295 39.498 -6.862 1.00 32.48 ? 87 MET A CA 1 ATOM 675 C C . MET A 1 87 ? 29.948 39.311 -5.495 1.00 33.82 ? 87 MET A C 1 ATOM 676 O O . MET A 1 87 ? 29.378 39.702 -4.475 1.00 34.17 ? 87 MET A O 1 ATOM 677 C CB . MET A 1 87 ? 28.499 38.247 -7.229 1.00 31.64 ? 87 MET A CB 1 ATOM 678 C CG . MET A 1 87 ? 27.444 37.839 -6.265 1.00 30.90 ? 87 MET A CG 1 ATOM 679 S SD . MET A 1 87 ? 26.446 36.469 -6.869 1.00 36.05 ? 87 MET A SD 1 ATOM 680 C CE . MET A 1 87 ? 25.718 37.081 -8.351 1.00 31.59 ? 87 MET A CE 1 ATOM 681 N N . MET A 1 88 ? 31.134 38.713 -5.476 1.00 34.94 ? 88 MET A N 1 ATOM 682 C CA . MET A 1 88 ? 31.806 38.380 -4.216 1.00 37.51 ? 88 MET A CA 1 ATOM 683 C C . MET A 1 88 ? 32.747 39.480 -3.739 1.00 40.35 ? 88 MET A C 1 ATOM 684 O O . MET A 1 88 ? 33.171 39.469 -2.582 1.00 41.49 ? 88 MET A O 1 ATOM 685 C CB . MET A 1 88 ? 32.588 37.059 -4.339 1.00 35.91 ? 88 MET A CB 1 ATOM 686 C CG . MET A 1 88 ? 31.727 35.847 -4.619 1.00 36.82 ? 88 MET A CG 1 ATOM 687 S SD . MET A 1 88 ? 30.359 35.732 -3.467 1.00 41.25 ? 88 MET A SD 1 ATOM 688 C CE . MET A 1 88 ? 29.017 36.150 -4.495 1.00 42.67 ? 88 MET A CE 1 ATOM 689 N N . SER A 1 89 ? 33.065 40.434 -4.612 1.00 42.43 ? 89 SER A N 1 ATOM 690 C CA . SER A 1 89 ? 34.127 41.393 -4.301 1.00 45.39 ? 89 SER A CA 1 ATOM 691 C C . SER A 1 89 ? 33.790 42.227 -3.062 1.00 47.27 ? 89 SER A C 1 ATOM 692 O O . SER A 1 89 ? 32.608 42.411 -2.744 1.00 47.42 ? 89 SER A O 1 ATOM 693 C CB . SER A 1 89 ? 34.470 42.273 -5.506 1.00 46.36 ? 89 SER A CB 1 ATOM 694 O OG . SER A 1 89 ? 33.530 43.303 -5.659 1.00 48.36 ? 89 SER A OG 1 ATOM 695 N N . PRO A 1 90 ? 34.824 42.707 -2.339 1.00 49.32 ? 90 PRO A N 1 ATOM 696 C CA . PRO A 1 90 ? 36.249 42.542 -2.634 1.00 50.13 ? 90 PRO A CA 1 ATOM 697 C C . PRO A 1 90 ? 36.863 41.291 -2.004 1.00 49.95 ? 90 PRO A C 1 ATOM 698 O O . PRO A 1 90 ? 38.092 41.204 -1.889 1.00 51.24 ? 90 PRO A O 1 ATOM 699 C CB . PRO A 1 90 ? 36.867 43.802 -2.035 1.00 52.29 ? 90 PRO A CB 1 ATOM 700 C CG . PRO A 1 90 ? 35.983 44.142 -0.873 1.00 52.86 ? 90 PRO A CG 1 ATOM 701 C CD . PRO A 1 90 ? 34.614 43.534 -1.132 1.00 51.17 ? 90 PRO A CD 1 ATOM 702 N N . LYS A 1 91 ? 36.014 40.335 -1.624 1.00 48.75 ? 91 LYS A N 1 ATOM 703 C CA . LYS A 1 91 ? 36.439 39.101 -0.948 1.00 48.86 ? 91 LYS A CA 1 ATOM 704 C C . LYS A 1 91 ? 37.437 38.360 -1.819 1.00 47.95 ? 91 LYS A C 1 ATOM 705 O O . LYS A 1 91 ? 38.492 37.923 -1.350 1.00 48.26 ? 91 LYS A O 1 ATOM 706 C CB . LYS A 1 91 ? 35.212 38.199 -0.675 1.00 48.43 ? 91 LYS A CB 1 ATOM 707 C CG . LYS A 1 91 ? 35.505 36.773 -0.123 1.00 50.15 ? 91 LYS A CG 1 ATOM 708 C CD . LYS A 1 91 ? 35.450 36.747 1.411 1.00 52.56 ? 91 LYS A CD 1 ATOM 709 C CE . LYS A 1 91 ? 36.425 35.742 1.996 1.00 54.70 ? 91 LYS A CE 1 ATOM 710 N NZ . LYS A 1 91 ? 36.479 35.931 3.487 1.00 59.97 ? 91 LYS A NZ 1 ATOM 711 N N . GLU A 1 92 ? 37.083 38.209 -3.092 1.00 45.99 ? 92 GLU A N 1 ATOM 712 C CA . GLU A 1 92 ? 37.932 37.511 -4.024 1.00 45.32 ? 92 GLU A CA 1 ATOM 713 C C . GLU A 1 92 ? 38.367 38.473 -5.105 1.00 45.26 ? 92 GLU A C 1 ATOM 714 O O . GLU A 1 92 ? 37.556 39.247 -5.611 1.00 46.07 ? 92 GLU A O 1 ATOM 715 C CB . GLU A 1 92 ? 37.206 36.310 -4.629 1.00 43.92 ? 92 GLU A CB 1 ATOM 716 C CG . GLU A 1 92 ? 36.917 35.174 -3.641 1.00 46.36 ? 92 GLU A CG 1 ATOM 717 C CD . GLU A 1 92 ? 38.101 34.817 -2.736 1.00 51.18 ? 92 GLU A CD 1 ATOM 718 O OE1 . GLU A 1 92 ? 39.234 34.569 -3.240 1.00 53.59 ? 92 GLU A OE1 1 ATOM 719 O OE2 . GLU A 1 92 ? 37.891 34.794 -1.501 1.00 53.74 ? 92 GLU A OE2 1 ATOM 720 N N . ASP A 1 93 ? 39.652 38.449 -5.428 1.00 44.46 ? 93 ASP A N 1 ATOM 721 C CA . ASP A 1 93 ? 40.159 39.240 -6.525 1.00 43.50 ? 93 ASP A CA 1 ATOM 722 C C . ASP A 1 93 ? 40.956 38.396 -7.531 1.00 41.88 ? 93 ASP A C 1 ATOM 723 O O . ASP A 1 93 ? 41.378 37.261 -7.253 1.00 40.54 ? 93 ASP A O 1 ATOM 724 C CB . ASP A 1 93 ? 41.010 40.409 -6.001 1.00 46.77 ? 93 ASP A CB 1 ATOM 725 N N . TYR A 1 94 ? 41.129 38.983 -8.711 1.00 40.19 ? 94 TYR A N 1 ATOM 726 C CA . TYR A 1 94 ? 42.037 38.508 -9.725 1.00 38.64 ? 94 TYR A CA 1 ATOM 727 C C . TYR A 1 94 ? 43.472 38.597 -9.185 1.00 39.24 ? 94 TYR A C 1 ATOM 728 O O . TYR A 1 94 ? 43.732 39.420 -8.315 1.00 40.84 ? 94 TYR A O 1 ATOM 729 C CB . TYR A 1 94 ? 41.853 39.386 -10.963 1.00 38.71 ? 94 TYR A CB 1 ATOM 730 C CG . TYR A 1 94 ? 40.466 39.240 -11.567 1.00 37.37 ? 94 TYR A CG 1 ATOM 731 C CD1 . TYR A 1 94 ? 39.559 40.304 -11.573 1.00 36.12 ? 94 TYR A CD1 1 ATOM 732 C CD2 . TYR A 1 94 ? 40.060 38.029 -12.111 1.00 34.33 ? 94 TYR A CD2 1 ATOM 733 C CE1 . TYR A 1 94 ? 38.278 40.157 -12.131 1.00 36.19 ? 94 TYR A CE1 1 ATOM 734 C CE2 . TYR A 1 94 ? 38.785 37.868 -12.668 1.00 35.40 ? 94 TYR A CE2 1 ATOM 735 C CZ . TYR A 1 94 ? 37.905 38.929 -12.684 1.00 35.80 ? 94 TYR A CZ 1 ATOM 736 O OH . TYR A 1 94 ? 36.659 38.734 -13.239 1.00 34.41 ? 94 TYR A OH 1 ATOM 737 N N . PRO A 1 95 ? 44.405 37.755 -9.686 1.00 37.84 ? 95 PRO A N 1 ATOM 738 C CA . PRO A 1 95 ? 44.222 36.698 -10.688 1.00 35.66 ? 95 PRO A CA 1 ATOM 739 C C . PRO A 1 95 ? 43.507 35.475 -10.115 1.00 33.76 ? 95 PRO A C 1 ATOM 740 O O . PRO A 1 95 ? 43.629 35.190 -8.918 1.00 34.05 ? 95 PRO A O 1 ATOM 741 C CB . PRO A 1 95 ? 45.648 36.317 -11.098 1.00 36.06 ? 95 PRO A CB 1 ATOM 742 C CG . PRO A 1 95 ? 46.523 36.776 -9.995 1.00 38.52 ? 95 PRO A CG 1 ATOM 743 C CD . PRO A 1 95 ? 45.820 37.917 -9.292 1.00 39.75 ? 95 PRO A CD 1 ATOM 744 N N . ILE A 1 96 ? 42.762 34.780 -10.970 1.00 31.18 ? 96 ILE A N 1 ATOM 745 C CA . ILE A 1 96 ? 42.009 33.597 -10.566 1.00 29.81 ? 96 ILE A CA 1 ATOM 746 C C . ILE A 1 96 ? 42.282 32.466 -11.557 1.00 28.93 ? 96 ILE A C 1 ATOM 747 O O . ILE A 1 96 ? 42.262 32.682 -12.795 1.00 28.35 ? 96 ILE A O 1 ATOM 748 C CB . ILE A 1 96 ? 40.474 33.903 -10.451 1.00 28.52 ? 96 ILE A CB 1 ATOM 749 C CG1 . ILE A 1 96 ? 40.184 34.751 -9.194 1.00 29.70 ? 96 ILE A CG1 1 ATOM 750 C CG2 . ILE A 1 96 ? 39.597 32.616 -10.439 1.00 26.40 ? 96 ILE A CG2 1 ATOM 751 C CD1 . ILE A 1 96 ? 38.770 35.273 -9.115 1.00 24.64 ? 96 ILE A CD1 1 ATOM 752 N N A GLU A 1 97 ? 42.575 31.281 -11.021 0.50 28.35 ? 97 GLU A N 1 ATOM 753 N N B GLU A 1 97 ? 42.549 31.279 -11.009 0.50 28.67 ? 97 GLU A N 1 ATOM 754 C CA A GLU A 1 97 ? 42.661 30.066 -11.831 0.50 27.61 ? 97 GLU A CA 1 ATOM 755 C CA B GLU A 1 97 ? 42.702 30.055 -11.796 0.50 28.38 ? 97 GLU A CA 1 ATOM 756 C C A GLU A 1 97 ? 41.522 29.143 -11.447 0.50 27.02 ? 97 GLU A C 1 ATOM 757 C C B GLU A 1 97 ? 41.564 29.094 -11.447 0.50 27.45 ? 97 GLU A C 1 ATOM 758 O O A GLU A 1 97 ? 41.276 28.894 -10.260 0.50 27.58 ? 97 GLU A O 1 ATOM 759 O O B GLU A 1 97 ? 41.355 28.772 -10.270 0.50 28.02 ? 97 GLU A O 1 ATOM 760 C CB A GLU A 1 97 ? 43.999 29.342 -11.628 0.50 28.50 ? 97 GLU A CB 1 ATOM 761 C CB B GLU A 1 97 ? 44.053 29.384 -11.494 0.50 29.60 ? 97 GLU A CB 1 ATOM 762 C CG A GLU A 1 97 ? 44.142 28.041 -12.422 0.50 24.58 ? 97 GLU A CG 1 ATOM 763 C CG B GLU A 1 97 ? 45.279 30.321 -11.536 0.50 30.30 ? 97 GLU A CG 1 ATOM 764 C CD A GLU A 1 97 ? 44.259 28.265 -13.918 0.50 21.46 ? 97 GLU A CD 1 ATOM 765 C CD B GLU A 1 97 ? 45.631 30.772 -12.944 0.50 30.24 ? 97 GLU A CD 1 ATOM 766 O OE1 A GLU A 1 97 ? 44.659 29.363 -14.339 0.50 23.19 ? 97 GLU A OE1 1 ATOM 767 O OE1 B GLU A 1 97 ? 45.184 30.110 -13.902 0.50 30.17 ? 97 GLU A OE1 1 ATOM 768 O OE2 A GLU A 1 97 ? 43.968 27.343 -14.692 0.50 18.65 ? 97 GLU A OE2 1 ATOM 769 O OE2 B GLU A 1 97 ? 46.353 31.779 -13.094 0.50 29.93 ? 97 GLU A OE2 1 ATOM 770 N N . ILE A 1 98 ? 40.814 28.657 -12.453 1.00 26.73 ? 98 ILE A N 1 ATOM 771 C CA . ILE A 1 98 ? 39.753 27.678 -12.251 1.00 26.17 ? 98 ILE A CA 1 ATOM 772 C C . ILE A 1 98 ? 40.065 26.462 -13.103 1.00 26.75 ? 98 ILE A C 1 ATOM 773 O O . ILE A 1 98 ? 40.424 26.610 -14.274 1.00 28.40 ? 98 ILE A O 1 ATOM 774 C CB . ILE A 1 98 ? 38.371 28.268 -12.583 1.00 25.64 ? 98 ILE A CB 1 ATOM 775 C CG1 . ILE A 1 98 ? 38.042 29.328 -11.523 1.00 27.23 ? 98 ILE A CG1 1 ATOM 776 C CG2 . ILE A 1 98 ? 37.251 27.190 -12.540 1.00 22.31 ? 98 ILE A CG2 1 ATOM 777 C CD1 . ILE A 1 98 ? 36.775 30.011 -11.742 1.00 27.83 ? 98 ILE A CD1 1 ATOM 778 N N . GLN A 1 99 ? 39.948 25.270 -12.520 1.00 26.09 ? 99 GLN A N 1 ATOM 779 C CA . GLN A 1 99 ? 40.123 24.033 -13.264 1.00 25.56 ? 99 GLN A CA 1 ATOM 780 C C . GLN A 1 99 ? 38.896 23.161 -13.085 1.00 25.80 ? 99 GLN A C 1 ATOM 781 O O . GLN A 1 99 ? 38.290 23.132 -11.997 1.00 25.15 ? 99 GLN A O 1 ATOM 782 C CB . GLN A 1 99 ? 41.379 23.278 -12.808 1.00 26.12 ? 99 GLN A CB 1 ATOM 783 C CG . GLN A 1 99 ? 42.683 24.055 -12.983 1.00 25.33 ? 99 GLN A CG 1 ATOM 784 C CD . GLN A 1 99 ? 43.708 23.662 -11.952 1.00 29.44 ? 99 GLN A CD 1 ATOM 785 O OE1 . GLN A 1 99 ? 43.852 24.327 -10.922 1.00 32.15 ? 99 GLN A OE1 1 ATOM 786 N NE2 . GLN A 1 99 ? 44.431 22.578 -12.210 1.00 26.50 ? 99 GLN A NE2 1 ATOM 787 N N . LEU A 1 100 ? 38.512 22.472 -14.163 1.00 25.68 ? 100 LEU A N 1 ATOM 788 C CA . LEU A 1 100 ? 37.445 21.476 -14.072 1.00 25.96 ? 100 LEU A CA 1 ATOM 789 C C . LEU A 1 100 ? 38.034 20.175 -14.529 1.00 26.05 ? 100 LEU A C 1 ATOM 790 O O . LEU A 1 100 ? 38.747 20.135 -15.516 1.00 25.83 ? 100 LEU A O 1 ATOM 791 C CB . LEU A 1 100 ? 36.241 21.823 -14.949 1.00 25.12 ? 100 LEU A CB 1 ATOM 792 C CG . LEU A 1 100 ? 35.097 22.641 -14.360 1.00 26.93 ? 100 LEU A CG 1 ATOM 793 C CD1 . LEU A 1 100 ? 35.495 24.104 -14.182 1.00 29.86 ? 100 LEU A CD1 1 ATOM 794 C CD2 . LEU A 1 100 ? 33.861 22.540 -15.250 1.00 28.11 ? 100 LEU A CD2 1 ATOM 795 N N . SER A 1 101 ? 37.760 19.126 -13.772 1.00 25.97 ? 101 SER A N 1 ATOM 796 C CA . SER A 1 101 ? 38.010 17.781 -14.212 1.00 25.93 ? 101 SER A CA 1 ATOM 797 C C . SER A 1 101 ? 36.659 17.073 -14.238 1.00 25.69 ? 101 SER A C 1 ATOM 798 O O . SER A 1 101 ? 36.035 16.877 -13.199 1.00 25.80 ? 101 SER A O 1 ATOM 799 C CB . SER A 1 101 ? 38.967 17.086 -13.244 1.00 26.88 ? 101 SER A CB 1 ATOM 800 O OG . SER A 1 101 ? 39.064 15.706 -13.537 1.00 28.24 ? 101 SER A OG 1 ATOM 801 N N . ALA A 1 102 ? 36.217 16.688 -15.428 1.00 25.57 ? 102 ALA A N 1 ATOM 802 C CA . ALA A 1 102 ? 34.899 16.088 -15.616 1.00 26.01 ? 102 ALA A CA 1 ATOM 803 C C . ALA A 1 102 ? 35.013 14.890 -16.538 1.00 27.41 ? 102 ALA A C 1 ATOM 804 O O . ALA A 1 102 ? 35.819 14.904 -17.472 1.00 28.68 ? 102 ALA A O 1 ATOM 805 C CB . ALA A 1 102 ? 33.929 17.134 -16.226 1.00 23.80 ? 102 ALA A CB 1 ATOM 806 N N . GLY A 1 103 ? 34.171 13.879 -16.330 1.00 28.02 ? 103 GLY A N 1 ATOM 807 C CA . GLY A 1 103 ? 34.174 12.710 -17.188 1.00 29.10 ? 103 GLY A CA 1 ATOM 808 C C . GLY A 1 103 ? 33.515 11.534 -16.507 1.00 31.45 ? 103 GLY A C 1 ATOM 809 O O . GLY A 1 103 ? 32.585 11.720 -15.705 1.00 31.91 ? 103 GLY A O 1 ATOM 810 N N . CYS A 1 104 ? 33.989 10.329 -16.822 1.00 32.19 ? 104 CYS A N 1 ATOM 811 C CA . CYS A 1 104 ? 33.398 9.111 -16.301 1.00 35.46 ? 104 CYS A CA 1 ATOM 812 C C . CYS A 1 104 ? 34.431 7.995 -16.331 1.00 37.61 ? 104 CYS A C 1 ATOM 813 O O . CYS A 1 104 ? 35.284 7.962 -17.222 1.00 37.02 ? 104 CYS A O 1 ATOM 814 C CB . CYS A 1 104 ? 32.132 8.711 -17.086 1.00 35.80 ? 104 CYS A CB 1 ATOM 815 S SG . CYS A 1 104 ? 32.197 8.815 -18.939 1.00 37.98 ? 104 CYS A SG 1 ATOM 816 N N . GLU A 1 105 ? 34.376 7.109 -15.333 1.00 40.25 ? 105 GLU A N 1 ATOM 817 C CA . GLU A 1 105 ? 35.168 5.884 -15.344 1.00 42.93 ? 105 GLU A CA 1 ATOM 818 C C . GLU A 1 105 ? 34.276 4.719 -15.758 1.00 44.86 ? 105 GLU A C 1 ATOM 819 O O . GLU A 1 105 ? 33.179 4.566 -15.224 1.00 45.56 ? 105 GLU A O 1 ATOM 820 C CB . GLU A 1 105 ? 35.800 5.618 -13.985 1.00 44.49 ? 105 GLU A CB 1 ATOM 821 C CG . GLU A 1 105 ? 36.734 4.383 -14.001 1.00 49.65 ? 105 GLU A CG 1 ATOM 822 C CD . GLU A 1 105 ? 37.615 4.282 -12.768 1.00 54.58 ? 105 GLU A CD 1 ATOM 823 O OE1 . GLU A 1 105 ? 37.483 5.132 -11.855 1.00 54.35 ? 105 GLU A OE1 1 ATOM 824 O OE2 . GLU A 1 105 ? 38.448 3.344 -12.722 1.00 58.88 ? 105 GLU A OE2 1 ATOM 825 N N . MET A 1 106 ? 34.750 3.923 -16.721 1.00 46.38 ? 106 MET A N 1 ATOM 826 C CA . MET A 1 106 ? 33.999 2.800 -17.301 1.00 48.67 ? 106 MET A CA 1 ATOM 827 C C . MET A 1 106 ? 34.427 1.473 -16.700 1.00 51.46 ? 106 MET A C 1 ATOM 828 O O . MET A 1 106 ? 35.612 1.137 -16.698 1.00 51.66 ? 106 MET A O 1 ATOM 829 C CB . MET A 1 106 ? 34.210 2.747 -18.812 1.00 48.17 ? 106 MET A CB 1 ATOM 830 C CG . MET A 1 106 ? 34.082 4.090 -19.516 1.00 47.09 ? 106 MET A CG 1 ATOM 831 S SD . MET A 1 106 ? 32.453 4.893 -19.376 1.00 48.82 ? 106 MET A SD 1 ATOM 832 C CE . MET A 1 106 ? 31.378 3.736 -20.215 1.00 46.58 ? 106 MET A CE 1 ATOM 833 N N . TYR A 1 107 ? 33.446 0.722 -16.213 1.00 54.45 ? 107 TYR A N 1 ATOM 834 C CA . TYR A 1 107 ? 33.658 -0.577 -15.573 1.00 57.97 ? 107 TYR A CA 1 ATOM 835 C C . TYR A 1 107 ? 33.087 -1.699 -16.437 1.00 60.88 ? 107 TYR A C 1 ATOM 836 O O . TYR A 1 107 ? 32.397 -1.410 -17.416 1.00 60.25 ? 107 TYR A O 1 ATOM 837 C CB . TYR A 1 107 ? 32.993 -0.581 -14.203 1.00 58.85 ? 107 TYR A CB 1 ATOM 838 C CG . TYR A 1 107 ? 33.471 0.530 -13.309 1.00 57.55 ? 107 TYR A CG 1 ATOM 839 C CD1 . TYR A 1 107 ? 34.733 0.480 -12.714 1.00 58.16 ? 107 TYR A CD1 1 ATOM 840 C CD2 . TYR A 1 107 ? 32.669 1.640 -13.067 1.00 56.07 ? 107 TYR A CD2 1 ATOM 841 C CE1 . TYR A 1 107 ? 35.177 1.508 -11.890 1.00 57.63 ? 107 TYR A CE1 1 ATOM 842 C CE2 . TYR A 1 107 ? 33.103 2.680 -12.252 1.00 54.66 ? 107 TYR A CE2 1 ATOM 843 C CZ . TYR A 1 107 ? 34.352 2.609 -11.663 1.00 55.74 ? 107 TYR A CZ 1 ATOM 844 O OH . TYR A 1 107 ? 34.772 3.634 -10.842 1.00 55.05 ? 107 TYR A OH 1 ATOM 845 N N . PRO A 1 108 ? 33.368 -2.979 -16.081 1.00 64.48 ? 108 PRO A N 1 ATOM 846 C CA . PRO A 1 108 ? 32.820 -4.094 -16.872 1.00 67.29 ? 108 PRO A CA 1 ATOM 847 C C . PRO A 1 108 ? 31.300 -4.204 -16.726 1.00 69.03 ? 108 PRO A C 1 ATOM 848 O O . PRO A 1 108 ? 30.728 -3.776 -15.710 1.00 69.50 ? 108 PRO A O 1 ATOM 849 C CB . PRO A 1 108 ? 33.513 -5.333 -16.282 1.00 69.93 ? 108 PRO A CB 1 ATOM 850 C CG . PRO A 1 108 ? 33.839 -4.949 -14.883 1.00 69.93 ? 108 PRO A CG 1 ATOM 851 C CD . PRO A 1 108 ? 34.161 -3.467 -14.932 1.00 65.68 ? 108 PRO A CD 1 ATOM 852 N N . GLY A 1 109 ? 30.663 -4.797 -17.729 1.00 70.51 ? 109 GLY A N 1 ATOM 853 C CA . GLY A 1 109 ? 29.219 -4.703 -17.875 1.00 71.61 ? 109 GLY A CA 1 ATOM 854 C C . GLY A 1 109 ? 28.896 -3.310 -18.393 1.00 68.64 ? 109 GLY A C 1 ATOM 855 O O . GLY A 1 109 ? 29.700 -2.687 -19.103 1.00 66.35 ? 109 GLY A O 1 ATOM 856 N N . ASN A 1 110 ? 27.721 -2.811 -18.042 1.00 68.64 ? 110 ASN A N 1 ATOM 857 C CA . ASN A 1 110 ? 27.365 -1.455 -18.435 1.00 65.70 ? 110 ASN A CA 1 ATOM 858 C C . ASN A 1 110 ? 27.471 -0.464 -17.279 1.00 62.83 ? 110 ASN A C 1 ATOM 859 O O . ASN A 1 110 ? 26.778 0.562 -17.262 1.00 61.76 ? 110 ASN A O 1 ATOM 860 C CB . ASN A 1 110 ? 25.981 -1.433 -19.096 1.00 67.61 ? 110 ASN A CB 1 ATOM 861 C CG . ASN A 1 110 ? 26.058 -1.658 -20.599 1.00 69.13 ? 110 ASN A CG 1 ATOM 862 O OD1 . ASN A 1 110 ? 26.591 -0.816 -21.338 1.00 68.67 ? 110 ASN A OD1 1 ATOM 863 N ND2 . ASN A 1 110 ? 25.531 -2.793 -21.058 1.00 71.95 ? 110 ASN A ND2 1 ATOM 864 N N . ALA A 1 111 ? 28.342 -0.783 -16.318 1.00 61.29 ? 111 ALA A N 1 ATOM 865 C CA . ALA A 1 111 ? 28.574 0.083 -15.157 1.00 58.36 ? 111 ALA A CA 1 ATOM 866 C C . ALA A 1 111 ? 29.537 1.239 -15.494 1.00 53.96 ? 111 ALA A C 1 ATOM 867 O O . ALA A 1 111 ? 30.481 1.064 -16.268 1.00 52.50 ? 111 ALA A O 1 ATOM 868 C CB . ALA A 1 111 ? 29.091 -0.728 -13.963 1.00 59.83 ? 111 ALA A CB 1 ATOM 869 N N . SER A 1 112 ? 29.266 2.414 -14.920 1.00 51.09 ? 112 SER A N 1 ATOM 870 C CA . SER A 1 112 ? 30.169 3.554 -14.971 1.00 47.08 ? 112 SER A CA 1 ATOM 871 C C . SER A 1 112 ? 29.866 4.504 -13.811 1.00 46.15 ? 112 SER A C 1 ATOM 872 O O . SER A 1 112 ? 28.837 4.368 -13.150 1.00 47.28 ? 112 SER A O 1 ATOM 873 C CB . SER A 1 112 ? 30.060 4.288 -16.312 1.00 45.31 ? 112 SER A CB 1 ATOM 874 O OG . SER A 1 112 ? 28.804 4.930 -16.442 1.00 44.96 ? 112 SER A OG 1 ATOM 875 N N . GLU A 1 113 ? 30.775 5.452 -13.578 1.00 43.28 ? 113 GLU A N 1 ATOM 876 C CA . GLU A 1 113 ? 30.630 6.514 -12.596 1.00 42.28 ? 113 GLU A CA 1 ATOM 877 C C . GLU A 1 113 ? 31.113 7.806 -13.228 1.00 38.61 ? 113 GLU A C 1 ATOM 878 O O . GLU A 1 113 ? 32.196 7.842 -13.804 1.00 37.95 ? 113 GLU A O 1 ATOM 879 C CB . GLU A 1 113 ? 31.543 6.280 -11.403 1.00 43.47 ? 113 GLU A CB 1 ATOM 880 C CG . GLU A 1 113 ? 31.076 5.305 -10.391 1.00 50.64 ? 113 GLU A CG 1 ATOM 881 C CD . GLU A 1 113 ? 31.713 5.574 -9.032 1.00 57.33 ? 113 GLU A CD 1 ATOM 882 O OE1 . GLU A 1 113 ? 32.166 4.591 -8.390 1.00 60.32 ? 113 GLU A OE1 1 ATOM 883 O OE2 . GLU A 1 113 ? 31.757 6.772 -8.620 1.00 57.24 ? 113 GLU A OE2 1 ATOM 884 N N . SER A 1 114 ? 30.325 8.859 -13.104 1.00 35.94 ? 114 SER A N 1 ATOM 885 C CA . SER A 1 114 ? 30.690 10.144 -13.636 1.00 33.76 ? 114 SER A CA 1 ATOM 886 C C . SER A 1 114 ? 31.109 11.100 -12.522 1.00 32.30 ? 114 SER A C 1 ATOM 887 O O . SER A 1 114 ? 30.727 10.915 -11.370 1.00 32.48 ? 114 SER A O 1 ATOM 888 C CB . SER A 1 114 ? 29.522 10.719 -14.423 1.00 33.18 ? 114 SER A CB 1 ATOM 889 O OG . SER A 1 114 ? 29.320 9.973 -15.603 1.00 35.23 ? 114 SER A OG 1 ATOM 890 N N . PHE A 1 115 ? 31.870 12.132 -12.885 1.00 30.24 ? 115 PHE A N 1 ATOM 891 C CA . PHE A 1 115 ? 32.360 13.121 -11.924 1.00 29.27 ? 115 PHE A CA 1 ATOM 892 C C . PHE A 1 115 ? 32.506 14.465 -12.616 1.00 27.97 ? 115 PHE A C 1 ATOM 893 O O . PHE A 1 115 ? 32.698 14.541 -13.848 1.00 26.42 ? 115 PHE A O 1 ATOM 894 C CB . PHE A 1 115 ? 33.711 12.691 -11.341 1.00 29.85 ? 115 PHE A CB 1 ATOM 895 C CG . PHE A 1 115 ? 34.736 12.367 -12.396 1.00 30.22 ? 115 PHE A CG 1 ATOM 896 C CD1 . PHE A 1 115 ? 35.486 13.388 -13.001 1.00 28.49 ? 115 PHE A CD1 1 ATOM 897 C CD2 . PHE A 1 115 ? 34.932 11.053 -12.809 1.00 30.11 ? 115 PHE A CD2 1 ATOM 898 C CE1 . PHE A 1 115 ? 36.424 13.085 -14.001 1.00 29.76 ? 115 PHE A CE1 1 ATOM 899 C CE2 . PHE A 1 115 ? 35.860 10.737 -13.810 1.00 29.30 ? 115 PHE A CE2 1 ATOM 900 C CZ . PHE A 1 115 ? 36.605 11.757 -14.416 1.00 27.79 ? 115 PHE A CZ 1 ATOM 901 N N . LEU A 1 116 ? 32.352 15.526 -11.824 1.00 27.17 ? 116 LEU A N 1 ATOM 902 C CA . LEU A 1 116 ? 32.613 16.878 -12.270 1.00 25.41 ? 116 LEU A CA 1 ATOM 903 C C . LEU A 1 116 ? 33.148 17.626 -11.043 1.00 25.50 ? 116 LEU A C 1 ATOM 904 O O . LEU A 1 116 ? 32.375 17.985 -10.136 1.00 25.69 ? 116 LEU A O 1 ATOM 905 C CB . LEU A 1 116 ? 31.334 17.534 -12.809 1.00 24.90 ? 116 LEU A CB 1 ATOM 906 C CG . LEU A 1 116 ? 31.482 18.727 -13.771 1.00 24.13 ? 116 LEU A CG 1 ATOM 907 C CD1 . LEU A 1 116 ? 30.101 19.213 -14.137 1.00 25.30 ? 116 LEU A CD1 1 ATOM 908 C CD2 . LEU A 1 116 ? 32.297 19.885 -13.180 1.00 23.15 ? 116 LEU A CD2 1 ATOM 909 N N . HIS A 1 117 ? 34.464 17.833 -11.023 1.00 24.04 ? 117 HIS A N 1 ATOM 910 C CA . HIS A 1 117 ? 35.136 18.443 -9.917 1.00 24.98 ? 117 HIS A CA 1 ATOM 911 C C . HIS A 1 117 ? 35.724 19.764 -10.351 1.00 24.73 ? 117 HIS A C 1 ATOM 912 O O . HIS A 1 117 ? 36.267 19.873 -11.460 1.00 25.13 ? 117 HIS A O 1 ATOM 913 C CB . HIS A 1 117 ? 36.244 17.509 -9.379 1.00 26.10 ? 117 HIS A CB 1 ATOM 914 C CG . HIS A 1 117 ? 35.722 16.279 -8.706 1.00 27.43 ? 117 HIS A CG 1 ATOM 915 N ND1 . HIS A 1 117 ? 36.530 15.423 -7.989 1.00 32.30 ? 117 HIS A ND1 1 ATOM 916 C CD2 . HIS A 1 117 ? 34.469 15.772 -8.619 1.00 27.12 ? 117 HIS A CD2 1 ATOM 917 C CE1 . HIS A 1 117 ? 35.802 14.431 -7.499 1.00 33.11 ? 117 HIS A CE1 1 ATOM 918 N NE2 . HIS A 1 117 ? 34.546 14.621 -7.864 1.00 31.76 ? 117 HIS A NE2 1 ATOM 919 N N . VAL A 1 118 ? 35.611 20.754 -9.470 1.00 24.26 ? 118 VAL A N 1 ATOM 920 C CA . VAL A 1 118 ? 36.062 22.105 -9.730 1.00 24.46 ? 118 VAL A CA 1 ATOM 921 C C . VAL A 1 118 ? 37.092 22.565 -8.704 1.00 25.97 ? 118 VAL A C 1 ATOM 922 O O . VAL A 1 118 ? 36.876 22.447 -7.488 1.00 26.91 ? 118 VAL A O 1 ATOM 923 C CB . VAL A 1 118 ? 34.868 23.109 -9.711 1.00 24.36 ? 118 VAL A CB 1 ATOM 924 C CG1 . VAL A 1 118 ? 35.351 24.537 -9.980 1.00 23.14 ? 118 VAL A CG1 1 ATOM 925 C CG2 . VAL A 1 118 ? 33.809 22.707 -10.745 1.00 22.18 ? 118 VAL A CG2 1 ATOM 926 N N . ALA A 1 119 ? 38.217 23.083 -9.187 1.00 26.17 ? 119 ALA A N 1 ATOM 927 C CA . ALA A 1 119 ? 39.224 23.646 -8.292 1.00 27.42 ? 119 ALA A CA 1 ATOM 928 C C . ALA A 1 119 ? 39.340 25.140 -8.503 1.00 27.35 ? 119 ALA A C 1 ATOM 929 O O . ALA A 1 119 ? 39.292 25.632 -9.621 1.00 26.87 ? 119 ALA A O 1 ATOM 930 C CB . ALA A 1 119 ? 40.581 22.951 -8.457 1.00 28.26 ? 119 ALA A CB 1 ATOM 931 N N . PHE A 1 120 ? 39.435 25.862 -7.399 1.00 28.60 ? 120 PHE A N 1 ATOM 932 C CA . PHE A 1 120 ? 39.560 27.309 -7.421 1.00 28.53 ? 120 PHE A CA 1 ATOM 933 C C . PHE A 1 120 ? 40.888 27.623 -6.774 1.00 30.12 ? 120 PHE A C 1 ATOM 934 O O . PHE A 1 120 ? 41.163 27.144 -5.665 1.00 31.84 ? 120 PHE A O 1 ATOM 935 C CB . PHE A 1 120 ? 38.411 27.914 -6.627 1.00 28.66 ? 120 PHE A CB 1 ATOM 936 C CG . PHE A 1 120 ? 38.493 29.398 -6.456 1.00 27.96 ? 120 PHE A CG 1 ATOM 937 C CD1 . PHE A 1 120 ? 38.025 30.251 -7.452 1.00 25.84 ? 120 PHE A CD1 1 ATOM 938 C CD2 . PHE A 1 120 ? 38.984 29.944 -5.273 1.00 27.97 ? 120 PHE A CD2 1 ATOM 939 C CE1 . PHE A 1 120 ? 38.072 31.624 -7.282 1.00 29.19 ? 120 PHE A CE1 1 ATOM 940 C CE2 . PHE A 1 120 ? 39.020 31.338 -5.088 1.00 29.34 ? 120 PHE A CE2 1 ATOM 941 C CZ . PHE A 1 120 ? 38.573 32.180 -6.092 1.00 26.96 ? 120 PHE A CZ 1 ATOM 942 N N . GLN A 1 121 ? 41.732 28.386 -7.470 1.00 30.01 ? 121 GLN A N 1 ATOM 943 C CA . GLN A 1 121 ? 43.116 28.638 -7.021 1.00 30.49 ? 121 GLN A CA 1 ATOM 944 C C . GLN A 1 121 ? 43.852 27.326 -6.682 1.00 31.10 ? 121 GLN A C 1 ATOM 945 O O . GLN A 1 121 ? 44.624 27.252 -5.736 1.00 31.82 ? 121 GLN A O 1 ATOM 946 C CB . GLN A 1 121 ? 43.164 29.639 -5.847 1.00 31.54 ? 121 GLN A CB 1 ATOM 947 C CG . GLN A 1 121 ? 42.342 30.952 -6.050 1.00 31.92 ? 121 GLN A CG 1 ATOM 948 C CD . GLN A 1 121 ? 42.931 31.858 -7.132 1.00 32.62 ? 121 GLN A CD 1 ATOM 949 O OE1 . GLN A 1 121 ? 43.196 31.426 -8.249 1.00 32.59 ? 121 GLN A OE1 1 ATOM 950 N NE2 . GLN A 1 121 ? 43.157 33.111 -6.788 1.00 33.75 ? 121 GLN A NE2 1 ATOM 951 N N . GLY A 1 122 ? 43.604 26.283 -7.466 1.00 30.27 ? 122 GLY A N 1 ATOM 952 C CA . GLY A 1 122 ? 44.343 25.028 -7.296 1.00 30.44 ? 122 GLY A CA 1 ATOM 953 C C . GLY A 1 122 ? 43.855 24.156 -6.146 1.00 31.08 ? 122 GLY A C 1 ATOM 954 O O . GLY A 1 122 ? 44.533 23.160 -5.788 1.00 31.88 ? 122 GLY A O 1 ATOM 955 N N . LYS A 1 123 ? 42.703 24.524 -5.555 1.00 29.33 ? 123 LYS A N 1 ATOM 956 C CA . LYS A 1 123 ? 42.100 23.680 -4.535 1.00 30.27 ? 123 LYS A CA 1 ATOM 957 C C . LYS A 1 123 ? 40.697 23.186 -4.924 1.00 29.05 ? 123 LYS A C 1 ATOM 958 O O . LYS A 1 123 ? 39.819 23.952 -5.348 1.00 27.29 ? 123 LYS A O 1 ATOM 959 C CB . LYS A 1 123 ? 42.136 24.347 -3.138 1.00 31.66 ? 123 LYS A CB 1 ATOM 960 N N . TYR A 1 124 ? 40.505 21.881 -4.801 1.00 29.60 ? 124 TYR A N 1 ATOM 961 C CA . TYR A 1 124 ? 39.204 21.259 -5.104 1.00 28.20 ? 124 TYR A CA 1 ATOM 962 C C . TYR A 1 124 ? 38.188 21.763 -4.079 1.00 27.78 ? 124 TYR A C 1 ATOM 963 O O . TYR A 1 124 ? 38.361 21.544 -2.878 1.00 29.34 ? 124 TYR A O 1 ATOM 964 C CB . TYR A 1 124 ? 39.372 19.744 -5.006 1.00 28.74 ? 124 TYR A CB 1 ATOM 965 C CG . TYR A 1 124 ? 38.105 18.928 -5.065 1.00 29.29 ? 124 TYR A CG 1 ATOM 966 C CD1 . TYR A 1 124 ? 37.121 19.223 -5.987 1.00 28.22 ? 124 TYR A CD1 1 ATOM 967 C CD2 . TYR A 1 124 ? 37.919 17.814 -4.228 1.00 31.72 ? 124 TYR A CD2 1 ATOM 968 C CE1 . TYR A 1 124 ? 35.956 18.484 -6.074 1.00 29.33 ? 124 TYR A CE1 1 ATOM 969 C CE2 . TYR A 1 124 ? 36.739 17.044 -4.317 1.00 32.60 ? 124 TYR A CE2 1 ATOM 970 C CZ . TYR A 1 124 ? 35.774 17.398 -5.262 1.00 29.48 ? 124 TYR A CZ 1 ATOM 971 O OH . TYR A 1 124 ? 34.607 16.705 -5.415 1.00 28.76 ? 124 TYR A OH 1 ATOM 972 N N . VAL A 1 125 ? 37.147 22.438 -4.545 1.00 26.70 ? 125 VAL A N 1 ATOM 973 C CA . VAL A 1 125 ? 36.186 23.130 -3.649 1.00 27.14 ? 125 VAL A CA 1 ATOM 974 C C . VAL A 1 125 ? 34.714 22.803 -3.948 1.00 26.81 ? 125 VAL A C 1 ATOM 975 O O . VAL A 1 125 ? 33.859 22.913 -3.070 1.00 28.01 ? 125 VAL A O 1 ATOM 976 C CB . VAL A 1 125 ? 36.341 24.688 -3.699 1.00 26.14 ? 125 VAL A CB 1 ATOM 977 C CG1 . VAL A 1 125 ? 37.605 25.139 -2.950 1.00 27.95 ? 125 VAL A CG1 1 ATOM 978 C CG2 . VAL A 1 125 ? 36.347 25.201 -5.137 1.00 24.34 ? 125 VAL A CG2 1 ATOM 979 N N . VAL A 1 126 ? 34.436 22.403 -5.184 1.00 25.33 ? 126 VAL A N 1 ATOM 980 C CA . VAL A 1 126 ? 33.091 22.281 -5.675 1.00 24.74 ? 126 VAL A CA 1 ATOM 981 C C . VAL A 1 126 ? 32.949 21.057 -6.585 1.00 25.19 ? 126 VAL A C 1 ATOM 982 O O . VAL A 1 126 ? 33.851 20.706 -7.349 1.00 24.80 ? 126 VAL A O 1 ATOM 983 C CB . VAL A 1 126 ? 32.665 23.568 -6.457 1.00 24.71 ? 126 VAL A CB 1 ATOM 984 C CG1 . VAL A 1 126 ? 31.441 23.321 -7.323 1.00 21.69 ? 126 VAL A CG1 1 ATOM 985 C CG2 . VAL A 1 126 ? 32.397 24.753 -5.472 1.00 25.16 ? 126 VAL A CG2 1 ATOM 986 N N . ARG A 1 127 ? 31.801 20.400 -6.499 1.00 25.45 ? 127 ARG A N 1 ATOM 987 C CA . ARG A 1 127 ? 31.489 19.371 -7.453 1.00 24.59 ? 127 ARG A CA 1 ATOM 988 C C . ARG A 1 127 ? 30.028 19.445 -7.837 1.00 24.69 ? 127 ARG A C 1 ATOM 989 O O . ARG A 1 127 ? 29.209 20.044 -7.128 1.00 24.12 ? 127 ARG A O 1 ATOM 990 C CB . ARG A 1 127 ? 31.788 18.012 -6.862 1.00 25.55 ? 127 ARG A CB 1 ATOM 991 C CG . ARG A 1 127 ? 30.828 17.604 -5.774 1.00 27.34 ? 127 ARG A CG 1 ATOM 992 C CD . ARG A 1 127 ? 31.141 16.204 -5.352 1.00 28.34 ? 127 ARG A CD 1 ATOM 993 N NE . ARG A 1 127 ? 30.326 15.740 -4.244 1.00 31.28 ? 127 ARG A NE 1 ATOM 994 C CZ . ARG A 1 127 ? 30.337 14.472 -3.816 1.00 35.21 ? 127 ARG A CZ 1 ATOM 995 N NH1 . ARG A 1 127 ? 31.102 13.573 -4.421 1.00 37.24 ? 127 ARG A NH1 1 ATOM 996 N NH2 . ARG A 1 127 ? 29.584 14.092 -2.805 1.00 36.09 ? 127 ARG A NH2 1 ATOM 997 N N . PHE A 1 128 ? 29.717 18.841 -8.981 1.00 24.27 ? 128 PHE A N 1 ATOM 998 C CA . PHE A 1 128 ? 28.347 18.505 -9.298 1.00 24.10 ? 128 PHE A CA 1 ATOM 999 C C . PHE A 1 128 ? 28.067 17.111 -8.784 1.00 25.84 ? 128 PHE A C 1 ATOM 1000 O O . PHE A 1 128 ? 28.833 16.169 -9.047 1.00 26.48 ? 128 PHE A O 1 ATOM 1001 C CB . PHE A 1 128 ? 28.067 18.557 -10.813 1.00 23.24 ? 128 PHE A CB 1 ATOM 1002 C CG . PHE A 1 128 ? 26.612 18.691 -11.126 1.00 22.54 ? 128 PHE A CG 1 ATOM 1003 C CD1 . PHE A 1 128 ? 26.030 19.967 -11.220 1.00 23.15 ? 128 PHE A CD1 1 ATOM 1004 C CD2 . PHE A 1 128 ? 25.799 17.556 -11.223 1.00 21.31 ? 128 PHE A CD2 1 ATOM 1005 C CE1 . PHE A 1 128 ? 24.653 20.131 -11.453 1.00 22.55 ? 128 PHE A CE1 1 ATOM 1006 C CE2 . PHE A 1 128 ? 24.421 17.693 -11.442 1.00 24.80 ? 128 PHE A CE2 1 ATOM 1007 C CZ . PHE A 1 128 ? 23.843 18.990 -11.567 1.00 22.53 ? 128 PHE A CZ 1 ATOM 1008 N N . TRP A 1 129 ? 26.950 16.963 -8.094 1.00 26.45 ? 129 TRP A N 1 ATOM 1009 C CA . TRP A 1 129 ? 26.633 15.700 -7.483 1.00 29.49 ? 129 TRP A CA 1 ATOM 1010 C C . TRP A 1 129 ? 25.134 15.538 -7.407 1.00 30.61 ? 129 TRP A C 1 ATOM 1011 O O . TRP A 1 129 ? 24.443 16.351 -6.769 1.00 30.71 ? 129 TRP A O 1 ATOM 1012 C CB . TRP A 1 129 ? 27.216 15.639 -6.070 1.00 30.75 ? 129 TRP A CB 1 ATOM 1013 C CG . TRP A 1 129 ? 27.013 14.302 -5.372 1.00 36.00 ? 129 TRP A CG 1 ATOM 1014 C CD1 . TRP A 1 129 ? 26.224 14.051 -4.273 1.00 40.50 ? 129 TRP A CD1 1 ATOM 1015 C CD2 . TRP A 1 129 ? 27.620 13.049 -5.726 1.00 39.62 ? 129 TRP A CD2 1 ATOM 1016 N NE1 . TRP A 1 129 ? 26.308 12.710 -3.924 1.00 44.35 ? 129 TRP A NE1 1 ATOM 1017 C CE2 . TRP A 1 129 ? 27.161 12.081 -4.798 1.00 44.16 ? 129 TRP A CE2 1 ATOM 1018 C CE3 . TRP A 1 129 ? 28.521 12.655 -6.726 1.00 41.18 ? 129 TRP A CE3 1 ATOM 1019 C CZ2 . TRP A 1 129 ? 27.567 10.741 -4.851 1.00 47.21 ? 129 TRP A CZ2 1 ATOM 1020 C CZ3 . TRP A 1 129 ? 28.920 11.318 -6.783 1.00 44.76 ? 129 TRP A CZ3 1 ATOM 1021 C CH2 . TRP A 1 129 ? 28.441 10.380 -5.851 1.00 46.13 ? 129 TRP A CH2 1 ATOM 1022 N N . GLY A 1 130 ? 24.635 14.488 -8.049 1.00 31.46 ? 130 GLY A N 1 ATOM 1023 C CA . GLY A 1 130 ? 23.210 14.211 -8.049 1.00 33.68 ? 130 GLY A CA 1 ATOM 1024 C C . GLY A 1 130 ? 22.512 15.169 -8.987 1.00 33.44 ? 130 GLY A C 1 ATOM 1025 O O . GLY A 1 130 ? 22.557 14.976 -10.197 1.00 32.60 ? 130 GLY A O 1 ATOM 1026 N N . THR A 1 131 ? 21.873 16.205 -8.424 1.00 34.15 ? 131 THR A N 1 ATOM 1027 C CA . THR A 1 131 ? 21.150 17.209 -9.217 1.00 33.98 ? 131 THR A CA 1 ATOM 1028 C C . THR A 1 131 ? 21.584 18.671 -8.980 1.00 33.09 ? 131 THR A C 1 ATOM 1029 O O . THR A 1 131 ? 20.897 19.596 -9.441 1.00 33.71 ? 131 THR A O 1 ATOM 1030 C CB . THR A 1 131 ? 19.655 17.151 -8.939 1.00 36.38 ? 131 THR A CB 1 ATOM 1031 O OG1 . THR A 1 131 ? 19.428 17.536 -7.582 1.00 36.42 ? 131 THR A OG1 1 ATOM 1032 C CG2 . THR A 1 131 ? 19.094 15.736 -9.172 1.00 38.00 ? 131 THR A CG2 1 ATOM 1033 N N . SER A 1 132 ? 22.694 18.884 -8.271 1.00 31.15 ? 132 SER A N 1 ATOM 1034 C CA . SER A 1 132 ? 23.104 20.227 -7.929 1.00 29.57 ? 132 SER A CA 1 ATOM 1035 C C . SER A 1 132 ? 24.596 20.348 -7.703 1.00 28.10 ? 132 SER A C 1 ATOM 1036 O O . SER A 1 132 ? 25.317 19.348 -7.568 1.00 28.08 ? 132 SER A O 1 ATOM 1037 C CB . SER A 1 132 ? 22.336 20.734 -6.701 1.00 31.32 ? 132 SER A CB 1 ATOM 1038 O OG . SER A 1 132 ? 22.622 19.937 -5.552 1.00 33.79 ? 132 SER A OG 1 ATOM 1039 N N . TRP A 1 133 ? 25.059 21.591 -7.742 1.00 26.44 ? 133 TRP A N 1 ATOM 1040 C CA . TRP A 1 133 ? 26.383 21.934 -7.329 1.00 25.37 ? 133 TRP A CA 1 ATOM 1041 C C . TRP A 1 133 ? 26.435 21.893 -5.812 1.00 26.89 ? 133 TRP A C 1 ATOM 1042 O O . TRP A 1 133 ? 25.463 22.224 -5.113 1.00 27.04 ? 133 TRP A O 1 ATOM 1043 C CB . TRP A 1 133 ? 26.707 23.335 -7.807 1.00 24.28 ? 133 TRP A CB 1 ATOM 1044 C CG . TRP A 1 133 ? 26.671 23.480 -9.300 1.00 24.64 ? 133 TRP A CG 1 ATOM 1045 C CD1 . TRP A 1 133 ? 25.671 24.024 -10.057 1.00 24.96 ? 133 TRP A CD1 1 ATOM 1046 C CD2 . TRP A 1 133 ? 27.691 23.079 -10.214 1.00 24.28 ? 133 TRP A CD2 1 ATOM 1047 N NE1 . TRP A 1 133 ? 26.011 23.993 -11.389 1.00 25.18 ? 133 TRP A NE1 1 ATOM 1048 C CE2 . TRP A 1 133 ? 27.241 23.406 -11.515 1.00 24.74 ? 133 TRP A CE2 1 ATOM 1049 C CE3 . TRP A 1 133 ? 28.931 22.458 -10.062 1.00 22.78 ? 133 TRP A CE3 1 ATOM 1050 C CZ2 . TRP A 1 133 ? 27.997 23.143 -12.660 1.00 23.64 ? 133 TRP A CZ2 1 ATOM 1051 C CZ3 . TRP A 1 133 ? 29.679 22.198 -11.204 1.00 24.67 ? 133 TRP A CZ3 1 ATOM 1052 C CH2 . TRP A 1 133 ? 29.212 22.551 -12.479 1.00 22.37 ? 133 TRP A CH2 1 ATOM 1053 N N . GLN A 1 134 ? 27.560 21.451 -5.293 1.00 27.75 ? 134 GLN A N 1 ATOM 1054 C CA . GLN A 1 134 ? 27.774 21.519 -3.863 1.00 30.27 ? 134 GLN A CA 1 ATOM 1055 C C . GLN A 1 134 ? 29.241 21.796 -3.596 1.00 30.01 ? 134 GLN A C 1 ATOM 1056 O O . GLN A 1 134 ? 30.111 21.443 -4.417 1.00 30.02 ? 134 GLN A O 1 ATOM 1057 C CB . GLN A 1 134 ? 27.322 20.222 -3.175 1.00 31.56 ? 134 GLN A CB 1 ATOM 1058 C CG . GLN A 1 134 ? 28.140 19.009 -3.560 1.00 34.55 ? 134 GLN A CG 1 ATOM 1059 C CD . GLN A 1 134 ? 27.784 17.735 -2.769 1.00 40.00 ? 134 GLN A CD 1 ATOM 1060 O OE1 . GLN A 1 134 ? 28.663 16.903 -2.491 1.00 44.03 ? 134 GLN A OE1 1 ATOM 1061 N NE2 . GLN A 1 134 ? 26.503 17.566 -2.433 1.00 40.47 ? 134 GLN A NE2 1 ATOM 1062 N N . THR A 1 135 ? 29.524 22.409 -2.451 1.00 30.04 ? 135 THR A N 1 ATOM 1063 C CA . THR A 1 135 ? 30.903 22.546 -2.014 1.00 29.77 ? 135 THR A CA 1 ATOM 1064 C C . THR A 1 135 ? 31.308 21.253 -1.288 1.00 30.98 ? 135 THR A C 1 ATOM 1065 O O . THR A 1 135 ? 30.464 20.562 -0.726 1.00 31.89 ? 135 THR A O 1 ATOM 1066 C CB . THR A 1 135 ? 31.082 23.776 -1.099 1.00 30.27 ? 135 THR A CB 1 ATOM 1067 O OG1 . THR A 1 135 ? 30.108 23.720 -0.060 1.00 31.74 ? 135 THR A OG1 1 ATOM 1068 C CG2 . THR A 1 135 ? 30.872 25.072 -1.892 1.00 28.17 ? 135 THR A CG2 1 ATOM 1069 N N . VAL A 1 136 ? 32.591 20.924 -1.321 1.00 30.62 ? 136 VAL A N 1 ATOM 1070 C CA . VAL A 1 136 ? 33.107 19.720 -0.680 1.00 31.76 ? 136 VAL A CA 1 ATOM 1071 C C . VAL A 1 136 ? 33.743 20.079 0.674 1.00 33.56 ? 136 VAL A C 1 ATOM 1072 O O . VAL A 1 136 ? 33.861 21.258 1.011 1.00 33.41 ? 136 VAL A O 1 ATOM 1073 C CB . VAL A 1 136 ? 34.119 19.027 -1.616 1.00 31.81 ? 136 VAL A CB 1 ATOM 1074 C CG1 . VAL A 1 136 ? 33.496 18.834 -2.994 1.00 29.75 ? 136 VAL A CG1 1 ATOM 1075 C CG2 . VAL A 1 136 ? 35.391 19.858 -1.749 1.00 30.30 ? 136 VAL A CG2 1 ATOM 1076 N N . PRO A 1 137 ? 34.141 19.074 1.473 1.00 35.88 ? 137 PRO A N 1 ATOM 1077 C CA . PRO A 1 137 ? 34.661 19.445 2.808 1.00 37.49 ? 137 PRO A CA 1 ATOM 1078 C C . PRO A 1 137 ? 35.977 20.242 2.756 1.00 37.18 ? 137 PRO A C 1 ATOM 1079 O O . PRO A 1 137 ? 36.822 19.981 1.892 1.00 36.82 ? 137 PRO A O 1 ATOM 1080 C CB . PRO A 1 137 ? 34.867 18.089 3.484 1.00 39.60 ? 137 PRO A CB 1 ATOM 1081 C CG . PRO A 1 137 ? 33.823 17.191 2.776 1.00 39.98 ? 137 PRO A CG 1 ATOM 1082 C CD . PRO A 1 137 ? 33.881 17.621 1.363 1.00 36.38 ? 137 PRO A CD 1 ATOM 1083 N N . GLY A 1 138 ? 36.126 21.213 3.663 1.00 37.25 ? 138 GLY A N 1 ATOM 1084 C CA . GLY A 1 138 ? 37.290 22.111 3.667 1.00 36.54 ? 138 GLY A CA 1 ATOM 1085 C C . GLY A 1 138 ? 37.152 23.357 2.784 1.00 34.48 ? 138 GLY A C 1 ATOM 1086 O O . GLY A 1 138 ? 38.060 24.189 2.732 1.00 35.28 ? 138 GLY A O 1 ATOM 1087 N N . ALA A 1 139 ? 36.030 23.494 2.097 1.00 32.02 ? 139 ALA A N 1 ATOM 1088 C CA . ALA A 1 139 ? 35.829 24.620 1.167 1.00 31.97 ? 139 ALA A CA 1 ATOM 1089 C C . ALA A 1 139 ? 35.429 25.847 1.946 1.00 31.77 ? 139 ALA A C 1 ATOM 1090 O O . ALA A 1 139 ? 34.793 25.727 2.992 1.00 33.24 ? 139 ALA A O 1 ATOM 1091 C CB . ALA A 1 139 ? 34.764 24.303 0.097 1.00 29.49 ? 139 ALA A CB 1 ATOM 1092 N N . PRO A 1 140 ? 35.826 27.025 1.463 1.00 31.54 ? 140 PRO A N 1 ATOM 1093 C CA . PRO A 1 140 ? 35.529 28.220 2.252 1.00 32.24 ? 140 PRO A CA 1 ATOM 1094 C C . PRO A 1 140 ? 34.052 28.592 2.114 1.00 30.68 ? 140 PRO A C 1 ATOM 1095 O O . PRO A 1 140 ? 33.423 28.244 1.120 1.00 28.76 ? 140 PRO A O 1 ATOM 1096 C CB . PRO A 1 140 ? 36.455 29.289 1.653 1.00 32.06 ? 140 PRO A CB 1 ATOM 1097 C CG . PRO A 1 140 ? 36.721 28.820 0.248 1.00 31.95 ? 140 PRO A CG 1 ATOM 1098 C CD . PRO A 1 140 ? 36.677 27.311 0.290 1.00 31.21 ? 140 PRO A CD 1 ATOM 1099 N N . SER A 1 141 ? 33.516 29.270 3.126 1.00 31.00 ? 141 SER A N 1 ATOM 1100 C CA . SER A 1 141 ? 32.078 29.551 3.210 1.00 30.49 ? 141 SER A CA 1 ATOM 1101 C C . SER A 1 141 ? 31.564 30.508 2.163 1.00 29.60 ? 141 SER A C 1 ATOM 1102 O O . SER A 1 141 ? 30.369 30.462 1.807 1.00 29.78 ? 141 SER A O 1 ATOM 1103 C CB . SER A 1 141 ? 31.737 30.120 4.572 1.00 31.85 ? 141 SER A CB 1 ATOM 1104 O OG . SER A 1 141 ? 32.105 29.223 5.568 1.00 33.34 ? 141 SER A OG 1 ATOM 1105 N N . TRP A 1 142 ? 32.431 31.402 1.675 1.00 29.03 ? 142 TRP A N 1 ATOM 1106 C CA . TRP A 1 142 ? 31.940 32.425 0.749 1.00 28.22 ? 142 TRP A CA 1 ATOM 1107 C C . TRP A 1 142 ? 31.352 31.760 -0.483 1.00 26.69 ? 142 TRP A C 1 ATOM 1108 O O . TRP A 1 142 ? 30.465 32.303 -1.098 1.00 27.08 ? 142 TRP A O 1 ATOM 1109 C CB . TRP A 1 142 ? 32.989 33.494 0.406 1.00 28.13 ? 142 TRP A CB 1 ATOM 1110 C CG . TRP A 1 142 ? 34.204 32.941 -0.249 1.00 27.90 ? 142 TRP A CG 1 ATOM 1111 C CD1 . TRP A 1 142 ? 35.389 32.606 0.360 1.00 28.96 ? 142 TRP A CD1 1 ATOM 1112 C CD2 . TRP A 1 142 ? 34.369 32.669 -1.631 1.00 25.95 ? 142 TRP A CD2 1 ATOM 1113 N NE1 . TRP A 1 142 ? 36.272 32.113 -0.566 1.00 28.74 ? 142 TRP A NE1 1 ATOM 1114 C CE2 . TRP A 1 142 ? 35.672 32.138 -1.799 1.00 28.11 ? 142 TRP A CE2 1 ATOM 1115 C CE3 . TRP A 1 142 ? 33.543 32.812 -2.753 1.00 27.36 ? 142 TRP A CE3 1 ATOM 1116 C CZ2 . TRP A 1 142 ? 36.172 31.756 -3.048 1.00 28.31 ? 142 TRP A CZ2 1 ATOM 1117 C CZ3 . TRP A 1 142 ? 34.035 32.426 -4.003 1.00 28.06 ? 142 TRP A CZ3 1 ATOM 1118 C CH2 . TRP A 1 142 ? 35.344 31.913 -4.138 1.00 29.17 ? 142 TRP A CH2 1 ATOM 1119 N N . LEU A 1 143 ? 31.813 30.562 -0.804 1.00 27.07 ? 143 LEU A N 1 ATOM 1120 C CA . LEU A 1 143 ? 31.321 29.836 -1.986 1.00 26.62 ? 143 LEU A CA 1 ATOM 1121 C C . LEU A 1 143 ? 29.827 29.464 -1.905 1.00 27.39 ? 143 LEU A C 1 ATOM 1122 O O . LEU A 1 143 ? 29.225 29.094 -2.905 1.00 28.00 ? 143 LEU A O 1 ATOM 1123 C CB . LEU A 1 143 ? 32.159 28.584 -2.199 1.00 25.87 ? 143 LEU A CB 1 ATOM 1124 C CG . LEU A 1 143 ? 33.472 28.768 -2.944 1.00 25.76 ? 143 LEU A CG 1 ATOM 1125 C CD1 . LEU A 1 143 ? 34.367 27.510 -2.754 1.00 24.48 ? 143 LEU A CD1 1 ATOM 1126 C CD2 . LEU A 1 143 ? 33.239 29.056 -4.437 1.00 22.40 ? 143 LEU A CD2 1 ATOM 1127 N N . ASP A 1 144 ? 29.232 29.561 -0.717 1.00 28.22 ? 144 ASP A N 1 ATOM 1128 C CA . ASP A 1 144 ? 27.813 29.298 -0.570 1.00 28.48 ? 144 ASP A CA 1 ATOM 1129 C C . ASP A 1 144 ? 26.959 30.215 -1.444 1.00 28.16 ? 144 ASP A C 1 ATOM 1130 O O . ASP A 1 144 ? 25.859 29.811 -1.854 1.00 27.70 ? 144 ASP A O 1 ATOM 1131 C CB . ASP A 1 144 ? 27.373 29.456 0.880 1.00 29.23 ? 144 ASP A CB 1 ATOM 1132 C CG . ASP A 1 144 ? 27.883 28.330 1.778 1.00 31.74 ? 144 ASP A CG 1 ATOM 1133 O OD1 . ASP A 1 144 ? 28.374 27.299 1.257 1.00 30.49 ? 144 ASP A OD1 1 ATOM 1134 O OD2 . ASP A 1 144 ? 27.781 28.492 3.019 1.00 33.90 ? 144 ASP A OD2 1 ATOM 1135 N N . LEU A 1 145 ? 27.428 31.443 -1.693 1.00 27.77 ? 145 LEU A N 1 ATOM 1136 C CA . LEU A 1 145 ? 26.672 32.371 -2.557 1.00 28.25 ? 145 LEU A CA 1 ATOM 1137 C C . LEU A 1 145 ? 26.756 31.940 -4.038 1.00 27.20 ? 145 LEU A C 1 ATOM 1138 O O . LEU A 1 145 ? 25.727 31.692 -4.640 1.00 27.96 ? 145 LEU A O 1 ATOM 1139 C CB . LEU A 1 145 ? 27.080 33.836 -2.361 1.00 28.13 ? 145 LEU A CB 1 ATOM 1140 C CG . LEU A 1 145 ? 26.239 34.893 -3.112 1.00 30.24 ? 145 LEU A CG 1 ATOM 1141 C CD1 . LEU A 1 145 ? 24.706 34.598 -3.140 1.00 28.04 ? 145 LEU A CD1 1 ATOM 1142 C CD2 . LEU A 1 145 ? 26.507 36.327 -2.544 1.00 28.57 ? 145 LEU A CD2 1 ATOM 1143 N N . PRO A 1 146 ? 27.974 31.805 -4.607 1.00 27.24 ? 146 PRO A N 1 ATOM 1144 C CA . PRO A 1 146 ? 28.072 31.213 -5.951 1.00 26.73 ? 146 PRO A CA 1 ATOM 1145 C C . PRO A 1 146 ? 27.313 29.899 -6.130 1.00 26.17 ? 146 PRO A C 1 ATOM 1146 O O . PRO A 1 146 ? 26.687 29.724 -7.147 1.00 26.55 ? 146 PRO A O 1 ATOM 1147 C CB . PRO A 1 146 ? 29.584 31.025 -6.147 1.00 25.73 ? 146 PRO A CB 1 ATOM 1148 C CG . PRO A 1 146 ? 30.159 32.178 -5.428 1.00 26.99 ? 146 PRO A CG 1 ATOM 1149 C CD . PRO A 1 146 ? 29.292 32.327 -4.167 1.00 27.44 ? 146 PRO A CD 1 ATOM 1150 N N . ILE A 1 147 ? 27.322 29.017 -5.146 1.00 26.93 ? 147 ILE A N 1 ATOM 1151 C CA . ILE A 1 147 ? 26.573 27.740 -5.238 1.00 27.70 ? 147 ILE A CA 1 ATOM 1152 C C . ILE A 1 147 ? 25.066 27.982 -5.339 1.00 28.07 ? 147 ILE A C 1 ATOM 1153 O O . ILE A 1 147 ? 24.377 27.418 -6.190 1.00 28.36 ? 147 ILE A O 1 ATOM 1154 C CB . ILE A 1 147 ? 26.919 26.807 -4.047 1.00 28.15 ? 147 ILE A CB 1 ATOM 1155 C CG1 . ILE A 1 147 ? 28.365 26.341 -4.161 1.00 29.91 ? 147 ILE A CG1 1 ATOM 1156 C CG2 . ILE A 1 147 ? 25.995 25.582 -3.974 1.00 30.19 ? 147 ILE A CG2 1 ATOM 1157 C CD1 . ILE A 1 147 ? 28.666 25.449 -5.357 1.00 28.11 ? 147 ILE A CD1 1 ATOM 1158 N N . LYS A 1 148 ? 24.568 28.859 -4.489 1.00 28.45 ? 148 LYS A N 1 ATOM 1159 C CA . LYS A 1 148 ? 23.172 29.272 -4.520 1.00 29.66 ? 148 LYS A CA 1 ATOM 1160 C C . LYS A 1 148 ? 22.811 29.812 -5.906 1.00 28.59 ? 148 LYS A C 1 ATOM 1161 O O . LYS A 1 148 ? 21.770 29.504 -6.450 1.00 28.93 ? 148 LYS A O 1 ATOM 1162 C CB . LYS A 1 148 ? 22.972 30.308 -3.413 1.00 30.92 ? 148 LYS A CB 1 ATOM 1163 C CG . LYS A 1 148 ? 21.588 30.884 -3.186 1.00 36.41 ? 148 LYS A CG 1 ATOM 1164 C CD . LYS A 1 148 ? 21.670 31.693 -1.872 1.00 42.48 ? 148 LYS A CD 1 ATOM 1165 C CE . LYS A 1 148 ? 20.329 31.917 -1.246 1.00 47.21 ? 148 LYS A CE 1 ATOM 1166 N NZ . LYS A 1 148 ? 19.634 30.613 -1.043 1.00 52.84 ? 148 LYS A NZ 1 ATOM 1167 N N . VAL A 1 149 ? 23.704 30.589 -6.494 1.00 27.75 ? 149 VAL A N 1 ATOM 1168 C CA . VAL A 1 149 ? 23.440 31.205 -7.764 1.00 27.23 ? 149 VAL A CA 1 ATOM 1169 C C . VAL A 1 149 ? 23.553 30.186 -8.907 1.00 27.21 ? 149 VAL A C 1 ATOM 1170 O O . VAL A 1 149 ? 22.784 30.229 -9.853 1.00 27.09 ? 149 VAL A O 1 ATOM 1171 C CB . VAL A 1 149 ? 24.446 32.337 -7.996 1.00 27.49 ? 149 VAL A CB 1 ATOM 1172 C CG1 . VAL A 1 149 ? 24.380 32.846 -9.452 1.00 24.45 ? 149 VAL A CG1 1 ATOM 1173 C CG2 . VAL A 1 149 ? 24.251 33.462 -6.954 1.00 27.97 ? 149 VAL A CG2 1 ATOM 1174 N N . LEU A 1 150 ? 24.521 29.276 -8.821 1.00 26.15 ? 150 LEU A N 1 ATOM 1175 C CA . LEU A 1 150 ? 24.643 28.252 -9.843 1.00 25.71 ? 150 LEU A CA 1 ATOM 1176 C C . LEU A 1 150 ? 23.456 27.314 -9.796 1.00 26.69 ? 150 LEU A C 1 ATOM 1177 O O . LEU A 1 150 ? 22.977 26.849 -10.839 1.00 26.73 ? 150 LEU A O 1 ATOM 1178 C CB . LEU A 1 150 ? 25.952 27.475 -9.666 1.00 25.16 ? 150 LEU A CB 1 ATOM 1179 C CG . LEU A 1 150 ? 27.261 28.206 -9.978 1.00 24.24 ? 150 LEU A CG 1 ATOM 1180 C CD1 . LEU A 1 150 ? 28.405 27.312 -9.524 1.00 23.88 ? 150 LEU A CD1 1 ATOM 1181 C CD2 . LEU A 1 150 ? 27.410 28.508 -11.513 1.00 22.13 ? 150 LEU A CD2 1 ATOM 1182 N N . ASN A 1 151 ? 22.973 27.050 -8.583 1.00 27.05 ? 151 ASN A N 1 ATOM 1183 C CA . ASN A 1 151 ? 21.897 26.087 -8.367 1.00 28.41 ? 151 ASN A CA 1 ATOM 1184 C C . ASN A 1 151 ? 20.551 26.683 -8.687 1.00 28.96 ? 151 ASN A C 1 ATOM 1185 O O . ASN A 1 151 ? 19.582 25.962 -8.745 1.00 30.34 ? 151 ASN A O 1 ATOM 1186 C CB . ASN A 1 151 ? 21.902 25.551 -6.914 1.00 29.10 ? 151 ASN A CB 1 ATOM 1187 C CG . ASN A 1 151 ? 22.925 24.452 -6.708 1.00 29.84 ? 151 ASN A CG 1 ATOM 1188 O OD1 . ASN A 1 151 ? 23.368 23.841 -7.668 1.00 30.48 ? 151 ASN A OD1 1 ATOM 1189 N ND2 . ASN A 1 151 ? 23.302 24.196 -5.458 1.00 27.75 ? 151 ASN A ND2 1 ATOM 1190 N N . ALA A 1 152 ? 20.489 27.993 -8.899 1.00 28.40 ? 152 ALA A N 1 ATOM 1191 C CA . ALA A 1 152 ? 19.232 28.614 -9.360 1.00 29.58 ? 152 ALA A CA 1 ATOM 1192 C C . ALA A 1 152 ? 18.999 28.323 -10.846 1.00 29.12 ? 152 ALA A C 1 ATOM 1193 O O . ALA A 1 152 ? 17.888 28.449 -11.343 1.00 30.46 ? 152 ALA A O 1 ATOM 1194 C CB . ALA A 1 152 ? 19.250 30.126 -9.114 1.00 29.26 ? 152 ALA A CB 1 ATOM 1195 N N . ASP A 1 153 ? 20.050 27.913 -11.547 1.00 27.32 ? 153 ASP A N 1 ATOM 1196 C CA . ASP A 1 153 ? 19.969 27.724 -13.004 1.00 27.19 ? 153 ASP A CA 1 ATOM 1197 C C . ASP A 1 153 ? 19.542 26.309 -13.320 1.00 26.58 ? 153 ASP A C 1 ATOM 1198 O O . ASP A 1 153 ? 20.386 25.441 -13.455 1.00 25.66 ? 153 ASP A O 1 ATOM 1199 C CB . ASP A 1 153 ? 21.315 28.051 -13.652 1.00 25.78 ? 153 ASP A CB 1 ATOM 1200 C CG . ASP A 1 153 ? 21.305 27.903 -15.165 1.00 28.19 ? 153 ASP A CG 1 ATOM 1201 O OD1 . ASP A 1 153 ? 20.278 27.504 -15.772 1.00 30.19 ? 153 ASP A OD1 1 ATOM 1202 O OD2 . ASP A 1 153 ? 22.363 28.162 -15.755 1.00 28.45 ? 153 ASP A OD2 1 ATOM 1203 N N . GLN A 1 154 ? 18.232 26.090 -13.400 1.00 27.95 ? 154 GLN A N 1 ATOM 1204 C CA . GLN A 1 154 ? 17.640 24.767 -13.640 1.00 29.33 ? 154 GLN A CA 1 ATOM 1205 C C . GLN A 1 154 ? 18.105 24.155 -14.969 1.00 29.16 ? 154 GLN A C 1 ATOM 1206 O O . GLN A 1 154 ? 18.456 22.969 -15.005 1.00 29.33 ? 154 GLN A O 1 ATOM 1207 C CB . GLN A 1 154 ? 16.105 24.853 -13.571 1.00 31.91 ? 154 GLN A CB 1 ATOM 1208 C CG . GLN A 1 154 ? 15.601 25.233 -12.168 1.00 37.72 ? 154 GLN A CG 1 ATOM 1209 C CD . GLN A 1 154 ? 14.077 25.200 -11.977 1.00 46.08 ? 154 GLN A CD 1 ATOM 1210 O OE1 . GLN A 1 154 ? 13.292 25.639 -12.826 1.00 49.60 ? 154 GLN A OE1 1 ATOM 1211 N NE2 . GLN A 1 154 ? 13.661 24.696 -10.827 1.00 50.09 ? 154 GLN A NE2 1 ATOM 1212 N N . GLY A 1 155 ? 18.150 24.974 -16.039 1.00 28.20 ? 155 GLY A N 1 ATOM 1213 C CA . GLY A 1 155 ? 18.535 24.524 -17.357 1.00 27.83 ? 155 GLY A CA 1 ATOM 1214 C C . GLY A 1 155 ? 19.937 23.948 -17.354 1.00 27.47 ? 155 GLY A C 1 ATOM 1215 O O . GLY A 1 155 ? 20.153 22.887 -17.929 1.00 27.00 ? 155 GLY A O 1 ATOM 1216 N N . THR A 1 156 ? 20.886 24.618 -16.681 1.00 26.61 ? 156 THR A N 1 ATOM 1217 C CA . THR A 1 156 ? 22.247 24.103 -16.585 1.00 25.94 ? 156 THR A CA 1 ATOM 1218 C C . THR A 1 156 ? 22.263 22.804 -15.780 1.00 27.43 ? 156 THR A C 1 ATOM 1219 O O . THR A 1 156 ? 23.016 21.877 -16.104 1.00 27.71 ? 156 THR A O 1 ATOM 1220 C CB . THR A 1 156 ? 23.261 25.126 -15.958 1.00 25.10 ? 156 THR A CB 1 ATOM 1221 O OG1 . THR A 1 156 ? 23.495 26.200 -16.881 1.00 25.76 ? 156 THR A OG1 1 ATOM 1222 C CG2 . THR A 1 156 ? 24.624 24.469 -15.660 1.00 22.21 ? 156 THR A CG2 1 ATOM 1223 N N . SER A 1 157 ? 21.455 22.732 -14.728 1.00 27.59 ? 157 SER A N 1 ATOM 1224 C CA . SER A 1 157 ? 21.449 21.530 -13.902 1.00 28.54 ? 157 SER A CA 1 ATOM 1225 C C . SER A 1 157 ? 20.939 20.321 -14.715 1.00 28.83 ? 157 SER A C 1 ATOM 1226 O O . SER A 1 157 ? 21.537 19.267 -14.690 1.00 28.71 ? 157 SER A O 1 ATOM 1227 C CB . SER A 1 157 ? 20.623 21.735 -12.611 1.00 29.56 ? 157 SER A CB 1 ATOM 1228 O OG . SER A 1 157 ? 20.264 20.497 -12.025 1.00 31.03 ? 157 SER A OG 1 ATOM 1229 N N . ALA A 1 158 ? 19.856 20.483 -15.444 1.00 29.57 ? 158 ALA A N 1 ATOM 1230 C CA . ALA A 1 158 ? 19.335 19.379 -16.263 1.00 31.82 ? 158 ALA A CA 1 ATOM 1231 C C . ALA A 1 158 ? 20.352 18.919 -17.330 1.00 31.28 ? 158 ALA A C 1 ATOM 1232 O O . ALA A 1 158 ? 20.539 17.721 -17.548 1.00 32.30 ? 158 ALA A O 1 ATOM 1233 C CB . ALA A 1 158 ? 17.991 19.765 -16.895 1.00 32.77 ? 158 ALA A CB 1 ATOM 1234 N N . THR A 1 159 ? 21.058 19.870 -17.938 1.00 30.25 ? 159 THR A N 1 ATOM 1235 C CA . THR A 1 159 ? 22.018 19.573 -19.006 1.00 29.32 ? 159 THR A CA 1 ATOM 1236 C C . THR A 1 159 ? 23.230 18.812 -18.460 1.00 28.44 ? 159 THR A C 1 ATOM 1237 O O . THR A 1 159 ? 23.697 17.842 -19.067 1.00 28.84 ? 159 THR A O 1 ATOM 1238 C CB . THR A 1 159 ? 22.487 20.877 -19.690 1.00 28.92 ? 159 THR A CB 1 ATOM 1239 O OG1 . THR A 1 159 ? 21.385 21.484 -20.377 1.00 29.12 ? 159 THR A OG1 1 ATOM 1240 C CG2 . THR A 1 159 ? 23.648 20.631 -20.661 1.00 27.78 ? 159 THR A CG2 1 ATOM 1241 N N . VAL A 1 160 ? 23.729 19.247 -17.309 1.00 27.10 ? 160 VAL A N 1 ATOM 1242 C CA . VAL A 1 160 ? 24.873 18.601 -16.694 1.00 26.76 ? 160 VAL A CA 1 ATOM 1243 C C . VAL A 1 160 ? 24.472 17.188 -16.223 1.00 27.99 ? 160 VAL A C 1 ATOM 1244 O O . VAL A 1 160 ? 25.224 16.232 -16.395 1.00 28.45 ? 160 VAL A O 1 ATOM 1245 C CB . VAL A 1 160 ? 25.449 19.434 -15.525 1.00 25.98 ? 160 VAL A CB 1 ATOM 1246 C CG1 . VAL A 1 160 ? 26.491 18.624 -14.768 1.00 26.13 ? 160 VAL A CG1 1 ATOM 1247 C CG2 . VAL A 1 160 ? 26.057 20.723 -16.035 1.00 23.92 ? 160 VAL A CG2 1 ATOM 1248 N N . GLN A 1 161 ? 23.282 17.060 -15.655 1.00 29.12 ? 161 GLN A N 1 ATOM 1249 C CA . GLN A 1 161 ? 22.776 15.747 -15.295 1.00 31.15 ? 161 GLN A CA 1 ATOM 1250 C C . GLN A 1 161 ? 22.807 14.823 -16.515 1.00 32.06 ? 161 GLN A C 1 ATOM 1251 O O . GLN A 1 161 ? 23.227 13.678 -16.408 1.00 32.09 ? 161 GLN A O 1 ATOM 1252 C CB . GLN A 1 161 ? 21.371 15.845 -14.721 1.00 31.84 ? 161 GLN A CB 1 ATOM 1253 C CG . GLN A 1 161 ? 21.338 16.276 -13.266 1.00 32.22 ? 161 GLN A CG 1 ATOM 1254 C CD . GLN A 1 161 ? 19.933 16.510 -12.802 1.00 32.82 ? 161 GLN A CD 1 ATOM 1255 O OE1 . GLN A 1 161 ? 19.140 15.589 -12.748 1.00 34.28 ? 161 GLN A OE1 1 ATOM 1256 N NE2 . GLN A 1 161 ? 19.609 17.753 -12.495 1.00 31.96 ? 161 GLN A NE2 1 ATOM 1257 N N . MET A 1 162 ? 22.401 15.351 -17.671 1.00 32.62 ? 162 MET A N 1 ATOM 1258 C CA . MET A 1 162 ? 22.374 14.572 -18.901 1.00 34.63 ? 162 MET A CA 1 ATOM 1259 C C . MET A 1 162 ? 23.775 14.250 -19.371 1.00 32.72 ? 162 MET A C 1 ATOM 1260 O O . MET A 1 162 ? 24.039 13.132 -19.767 1.00 33.56 ? 162 MET A O 1 ATOM 1261 C CB . MET A 1 162 ? 21.608 15.300 -19.999 1.00 35.62 ? 162 MET A CB 1 ATOM 1262 C CG . MET A 1 162 ? 21.352 14.463 -21.239 1.00 42.09 ? 162 MET A CG 1 ATOM 1263 S SD . MET A 1 162 ? 20.761 15.433 -22.660 1.00 51.61 ? 162 MET A SD 1 ATOM 1264 C CE . MET A 1 162 ? 22.306 16.215 -23.143 1.00 47.77 ? 162 MET A CE 1 ATOM 1265 N N . LEU A 1 163 ? 24.678 15.229 -19.293 1.00 31.20 ? 163 LEU A N 1 ATOM 1266 C CA . LEU A 1 163 ? 26.035 15.037 -19.755 1.00 30.01 ? 163 LEU A CA 1 ATOM 1267 C C . LEU A 1 163 ? 26.725 13.973 -18.939 1.00 29.83 ? 163 LEU A C 1 ATOM 1268 O O . LEU A 1 163 ? 27.333 13.063 -19.497 1.00 30.72 ? 163 LEU A O 1 ATOM 1269 C CB . LEU A 1 163 ? 26.839 16.322 -19.665 1.00 28.60 ? 163 LEU A CB 1 ATOM 1270 C CG . LEU A 1 163 ? 26.519 17.400 -20.694 1.00 30.43 ? 163 LEU A CG 1 ATOM 1271 C CD1 . LEU A 1 163 ? 27.344 18.655 -20.311 1.00 30.06 ? 163 LEU A CD1 1 ATOM 1272 C CD2 . LEU A 1 163 ? 26.821 16.931 -22.142 1.00 30.62 ? 163 LEU A CD2 1 ATOM 1273 N N . LEU A 1 164 ? 26.630 14.098 -17.622 1.00 29.27 ? 164 LEU A N 1 ATOM 1274 C CA . LEU A 1 164 ? 27.203 13.130 -16.710 1.00 29.62 ? 164 LEU A CA 1 ATOM 1275 C C . LEU A 1 164 ? 26.491 11.773 -16.755 1.00 31.99 ? 164 LEU A C 1 ATOM 1276 O O . LEU A 1 164 ? 27.147 10.730 -16.831 1.00 32.85 ? 164 LEU A O 1 ATOM 1277 C CB . LEU A 1 164 ? 27.223 13.693 -15.289 1.00 29.68 ? 164 LEU A CB 1 ATOM 1278 C CG . LEU A 1 164 ? 28.016 15.006 -15.041 1.00 28.78 ? 164 LEU A CG 1 ATOM 1279 C CD1 . LEU A 1 164 ? 27.967 15.433 -13.552 1.00 27.57 ? 164 LEU A CD1 1 ATOM 1280 C CD2 . LEU A 1 164 ? 29.445 14.860 -15.456 1.00 27.60 ? 164 LEU A CD2 1 ATOM 1281 N N . ASN A 1 165 ? 25.164 11.739 -16.702 1.00 32.55 ? 165 ASN A N 1 ATOM 1282 C CA . ASN A 1 165 ? 24.548 10.424 -16.508 1.00 35.00 ? 165 ASN A CA 1 ATOM 1283 C C . ASN A 1 165 ? 24.478 9.629 -17.796 1.00 35.81 ? 165 ASN A C 1 ATOM 1284 O O . ASN A 1 165 ? 24.495 8.419 -17.752 1.00 37.48 ? 165 ASN A O 1 ATOM 1285 C CB . ASN A 1 165 ? 23.140 10.508 -15.913 1.00 36.55 ? 165 ASN A CB 1 ATOM 1286 C CG . ASN A 1 165 ? 23.104 11.124 -14.529 1.00 36.84 ? 165 ASN A CG 1 ATOM 1287 O OD1 . ASN A 1 165 ? 24.115 11.617 -14.006 1.00 35.49 ? 165 ASN A OD1 1 ATOM 1288 N ND2 . ASN A 1 165 ? 21.922 11.111 -13.933 1.00 37.70 ? 165 ASN A ND2 1 ATOM 1289 N N . ASP A 1 166 ? 24.399 10.321 -18.930 1.00 35.38 ? 166 ASP A N 1 ATOM 1290 C CA . ASP A 1 166 ? 24.024 9.691 -20.188 1.00 37.55 ? 166 ASP A CA 1 ATOM 1291 C C . ASP A 1 166 ? 25.076 9.894 -21.254 1.00 35.47 ? 166 ASP A C 1 ATOM 1292 O O . ASP A 1 166 ? 25.618 8.932 -21.776 1.00 35.79 ? 166 ASP A O 1 ATOM 1293 C CB . ASP A 1 166 ? 22.677 10.227 -20.696 1.00 39.11 ? 166 ASP A CB 1 ATOM 1294 C CG . ASP A 1 166 ? 21.540 9.973 -19.727 1.00 43.75 ? 166 ASP A CG 1 ATOM 1295 O OD1 . ASP A 1 166 ? 21.480 8.885 -19.118 1.00 48.09 ? 166 ASP A OD1 1 ATOM 1296 O OD2 . ASP A 1 166 ? 20.682 10.870 -19.579 1.00 48.75 ? 166 ASP A OD2 1 ATOM 1297 N N . THR A 1 167 ? 25.365 11.151 -21.566 1.00 33.35 ? 167 THR A N 1 ATOM 1298 C CA . THR A 1 167 ? 26.239 11.469 -22.675 1.00 32.61 ? 167 THR A CA 1 ATOM 1299 C C . THR A 1 167 ? 27.636 10.881 -22.482 1.00 32.06 ? 167 THR A C 1 ATOM 1300 O O . THR A 1 167 ? 28.201 10.322 -23.417 1.00 32.74 ? 167 THR A O 1 ATOM 1301 C CB . THR A 1 167 ? 26.319 13.001 -22.901 1.00 31.17 ? 167 THR A CB 1 ATOM 1302 O OG1 . THR A 1 167 ? 24.988 13.529 -22.966 1.00 34.21 ? 167 THR A OG1 1 ATOM 1303 C CG2 . THR A 1 167 ? 27.034 13.325 -24.194 1.00 29.86 ? 167 THR A CG2 1 ATOM 1304 N N . CYS A 1 168 ? 28.191 11.009 -21.284 1.00 31.14 ? 168 CYS A N 1 ATOM 1305 C CA . CYS A 1 168 ? 29.595 10.609 -21.056 1.00 31.57 ? 168 CYS A CA 1 ATOM 1306 C C . CYS A 1 168 ? 29.791 9.107 -21.273 1.00 32.34 ? 168 CYS A C 1 ATOM 1307 O O . CYS A 1 168 ? 30.592 8.743 -22.115 1.00 31.61 ? 168 CYS A O 1 ATOM 1308 C CB . CYS A 1 168 ? 30.143 11.064 -19.677 1.00 30.73 ? 168 CYS A CB 1 ATOM 1309 S SG . CYS A 1 168 ? 31.921 10.842 -19.434 1.00 32.03 ? 168 CYS A SG 1 ATOM 1310 N N . PRO A 1 169 ? 29.031 8.248 -20.554 1.00 33.67 ? 169 PRO A N 1 ATOM 1311 C CA . PRO A 1 169 ? 29.193 6.811 -20.726 1.00 35.49 ? 169 PRO A CA 1 ATOM 1312 C C . PRO A 1 169 ? 28.909 6.352 -22.157 1.00 36.54 ? 169 PRO A C 1 ATOM 1313 O O . PRO A 1 169 ? 29.619 5.496 -22.684 1.00 37.02 ? 169 PRO A O 1 ATOM 1314 C CB . PRO A 1 169 ? 28.157 6.201 -19.761 1.00 37.18 ? 169 PRO A CB 1 ATOM 1315 C CG . PRO A 1 169 ? 27.764 7.296 -18.849 1.00 35.93 ? 169 PRO A CG 1 ATOM 1316 C CD . PRO A 1 169 ? 28.010 8.576 -19.540 1.00 34.18 ? 169 PRO A CD 1 ATOM 1317 N N . LEU A 1 170 ? 27.882 6.917 -22.779 1.00 36.79 ? 170 LEU A N 1 ATOM 1318 C CA . LEU A 1 170 ? 27.603 6.626 -24.173 1.00 38.05 ? 170 LEU A CA 1 ATOM 1319 C C . LEU A 1 170 ? 28.794 6.967 -25.078 1.00 36.09 ? 170 LEU A C 1 ATOM 1320 O O . LEU A 1 170 ? 29.273 6.122 -25.832 1.00 36.46 ? 170 LEU A O 1 ATOM 1321 C CB . LEU A 1 170 ? 26.349 7.369 -24.635 1.00 38.91 ? 170 LEU A CB 1 ATOM 1322 C CG . LEU A 1 170 ? 25.922 6.999 -26.052 1.00 42.68 ? 170 LEU A CG 1 ATOM 1323 C CD1 . LEU A 1 170 ? 25.482 5.519 -26.114 1.00 46.40 ? 170 LEU A CD1 1 ATOM 1324 C CD2 . LEU A 1 170 ? 24.806 7.941 -26.558 1.00 46.39 ? 170 LEU A CD2 1 ATOM 1325 N N . PHE A 1 171 ? 29.274 8.206 -24.976 1.00 34.15 ? 171 PHE A N 1 ATOM 1326 C CA . PHE A 1 171 ? 30.380 8.682 -25.800 1.00 32.79 ? 171 PHE A CA 1 ATOM 1327 C C . PHE A 1 171 ? 31.591 7.781 -25.622 1.00 32.53 ? 171 PHE A C 1 ATOM 1328 O O . PHE A 1 171 ? 32.132 7.258 -26.602 1.00 32.79 ? 171 PHE A O 1 ATOM 1329 C CB . PHE A 1 171 ? 30.762 10.099 -25.411 1.00 31.19 ? 171 PHE A CB 1 ATOM 1330 C CG . PHE A 1 171 ? 31.861 10.687 -26.256 1.00 31.23 ? 171 PHE A CG 1 ATOM 1331 C CD1 . PHE A 1 171 ? 31.763 10.703 -27.643 1.00 31.83 ? 171 PHE A CD1 1 ATOM 1332 C CD2 . PHE A 1 171 ? 32.969 11.267 -25.665 1.00 29.83 ? 171 PHE A CD2 1 ATOM 1333 C CE1 . PHE A 1 171 ? 32.758 11.280 -28.423 1.00 32.63 ? 171 PHE A CE1 1 ATOM 1334 C CE2 . PHE A 1 171 ? 33.968 11.848 -26.436 1.00 30.13 ? 171 PHE A CE2 1 ATOM 1335 C CZ . PHE A 1 171 ? 33.866 11.854 -27.818 1.00 31.93 ? 171 PHE A CZ 1 ATOM 1336 N N . VAL A 1 172 ? 31.969 7.576 -24.360 1.00 31.49 ? 172 VAL A N 1 ATOM 1337 C CA . VAL A 1 172 ? 33.145 6.795 -24.007 1.00 31.60 ? 172 VAL A CA 1 ATOM 1338 C C . VAL A 1 172 ? 33.086 5.363 -24.526 1.00 33.59 ? 172 VAL A C 1 ATOM 1339 O O . VAL A 1 172 ? 34.074 4.909 -25.078 1.00 34.30 ? 172 VAL A O 1 ATOM 1340 C CB . VAL A 1 172 ? 33.470 6.857 -22.498 1.00 31.38 ? 172 VAL A CB 1 ATOM 1341 C CG1 . VAL A 1 172 ? 34.757 6.039 -22.177 1.00 31.48 ? 172 VAL A CG1 1 ATOM 1342 C CG2 . VAL A 1 172 ? 33.671 8.288 -22.096 1.00 28.25 ? 172 VAL A CG2 1 ATOM 1343 N N . ARG A 1 173 ? 31.932 4.687 -24.409 1.00 34.88 ? 173 ARG A N 1 ATOM 1344 C CA . ARG A 1 173 ? 31.765 3.336 -24.947 1.00 37.01 ? 173 ARG A CA 1 ATOM 1345 C C . ARG A 1 173 ? 32.086 3.290 -26.436 1.00 36.49 ? 173 ARG A C 1 ATOM 1346 O O . ARG A 1 173 ? 32.707 2.344 -26.917 1.00 36.36 ? 173 ARG A O 1 ATOM 1347 C CB . ARG A 1 173 ? 30.336 2.790 -24.738 1.00 39.80 ? 173 ARG A CB 1 ATOM 1348 C CG . ARG A 1 173 ? 29.945 2.402 -23.311 1.00 43.98 ? 173 ARG A CG 1 ATOM 1349 C CD . ARG A 1 173 ? 30.607 1.092 -22.844 1.00 53.50 ? 173 ARG A CD 1 ATOM 1350 N NE . ARG A 1 173 ? 30.560 0.919 -21.383 1.00 57.59 ? 173 ARG A NE 1 ATOM 1351 C CZ . ARG A 1 173 ? 31.443 0.214 -20.660 1.00 60.71 ? 173 ARG A CZ 1 ATOM 1352 N NH1 . ARG A 1 173 ? 32.475 -0.399 -21.248 1.00 60.27 ? 173 ARG A NH1 1 ATOM 1353 N NH2 . ARG A 1 173 ? 31.302 0.131 -19.334 1.00 60.19 ? 173 ARG A NH2 1 ATOM 1354 N N . GLY A 1 174 ? 31.630 4.305 -27.163 1.00 35.23 ? 174 GLY A N 1 ATOM 1355 C CA . GLY A 1 174 ? 31.901 4.414 -28.584 1.00 35.15 ? 174 GLY A CA 1 ATOM 1356 C C . GLY A 1 174 ? 33.355 4.751 -28.860 1.00 34.64 ? 174 GLY A C 1 ATOM 1357 O O . GLY A 1 174 ? 33.936 4.226 -29.821 1.00 35.01 ? 174 GLY A O 1 ATOM 1358 N N . LEU A 1 175 ? 33.945 5.621 -28.028 1.00 32.73 ? 175 LEU A N 1 ATOM 1359 C CA . LEU A 1 175 ? 35.377 5.928 -28.128 1.00 32.60 ? 175 LEU A CA 1 ATOM 1360 C C . LEU A 1 175 ? 36.228 4.678 -27.923 1.00 34.14 ? 175 LEU A C 1 ATOM 1361 O O . LEU A 1 175 ? 37.235 4.498 -28.610 1.00 34.24 ? 175 LEU A O 1 ATOM 1362 C CB . LEU A 1 175 ? 35.812 6.960 -27.089 1.00 30.63 ? 175 LEU A CB 1 ATOM 1363 C CG . LEU A 1 175 ? 35.769 8.454 -27.336 1.00 31.45 ? 175 LEU A CG 1 ATOM 1364 C CD1 . LEU A 1 175 ? 36.282 9.171 -26.049 1.00 30.30 ? 175 LEU A CD1 1 ATOM 1365 C CD2 . LEU A 1 175 ? 36.564 8.901 -28.626 1.00 28.40 ? 175 LEU A CD2 1 ATOM 1366 N N . LEU A 1 176 ? 35.833 3.828 -26.968 1.00 35.54 ? 176 LEU A N 1 ATOM 1367 C CA . LEU A 1 176 ? 36.571 2.574 -26.678 1.00 37.30 ? 176 LEU A CA 1 ATOM 1368 C C . LEU A 1 176 ? 36.460 1.602 -27.827 1.00 38.80 ? 176 LEU A C 1 ATOM 1369 O O . LEU A 1 176 ? 37.383 0.825 -28.104 1.00 39.98 ? 176 LEU A O 1 ATOM 1370 C CB . LEU A 1 176 ? 36.052 1.900 -25.407 1.00 38.23 ? 176 LEU A CB 1 ATOM 1371 C CG . LEU A 1 176 ? 36.138 2.686 -24.089 1.00 37.83 ? 176 LEU A CG 1 ATOM 1372 C CD1 . LEU A 1 176 ? 35.349 1.950 -23.020 1.00 40.68 ? 176 LEU A CD1 1 ATOM 1373 C CD2 . LEU A 1 176 ? 37.584 2.820 -23.639 1.00 37.96 ? 176 LEU A CD2 1 ATOM 1374 N N . GLU A 1 177 ? 35.317 1.614 -28.492 1.00 38.89 ? 177 GLU A N 1 ATOM 1375 C CA . GLU A 1 177 ? 35.166 0.744 -29.645 1.00 40.78 ? 177 GLU A CA 1 ATOM 1376 C C . GLU A 1 177 ? 35.990 1.322 -30.804 1.00 39.64 ? 177 GLU A C 1 ATOM 1377 O O . GLU A 1 177 ? 36.774 0.614 -31.383 1.00 40.74 ? 177 GLU A O 1 ATOM 1378 C CB . GLU A 1 177 ? 33.691 0.526 -29.998 1.00 41.66 ? 177 GLU A CB 1 ATOM 1379 C CG . GLU A 1 177 ? 33.426 -0.674 -30.910 1.00 46.75 ? 177 GLU A CG 1 ATOM 1380 N N . ALA A 1 178 ? 35.868 2.621 -31.087 1.00 38.35 ? 178 ALA A N 1 ATOM 1381 C CA . ALA A 1 178 ? 36.605 3.235 -32.208 1.00 37.84 ? 178 ALA A CA 1 ATOM 1382 C C . ALA A 1 178 ? 38.138 3.235 -32.007 1.00 37.11 ? 178 ALA A C 1 ATOM 1383 O O . ALA A 1 178 ? 38.886 2.964 -32.938 1.00 36.88 ? 178 ALA A O 1 ATOM 1384 C CB . ALA A 1 178 ? 36.090 4.639 -32.504 1.00 36.00 ? 178 ALA A CB 1 ATOM 1385 N N . GLY A 1 179 ? 38.576 3.519 -30.785 1.00 36.09 ? 179 GLY A N 1 ATOM 1386 C CA . GLY A 1 179 ? 39.991 3.621 -30.460 1.00 36.11 ? 179 GLY A CA 1 ATOM 1387 C C . GLY A 1 179 ? 40.657 2.314 -30.066 1.00 38.10 ? 179 GLY A C 1 ATOM 1388 O O . GLY A 1 179 ? 41.814 2.314 -29.652 1.00 37.51 ? 179 GLY A O 1 ATOM 1389 N N . LYS A 1 180 ? 39.929 1.210 -30.208 1.00 40.20 ? 180 LYS A N 1 ATOM 1390 C CA . LYS A 1 180 ? 40.366 -0.111 -29.732 1.00 43.42 ? 180 LYS A CA 1 ATOM 1391 C C . LYS A 1 180 ? 41.819 -0.494 -30.087 1.00 44.14 ? 180 LYS A C 1 ATOM 1392 O O . LYS A 1 180 ? 42.589 -0.916 -29.210 1.00 45.14 ? 180 LYS A O 1 ATOM 1393 C CB . LYS A 1 180 ? 39.384 -1.200 -30.208 1.00 45.63 ? 180 LYS A CB 1 ATOM 1394 C CG . LYS A 1 180 ? 39.897 -2.631 -30.109 1.00 50.33 ? 180 LYS A CG 1 ATOM 1395 C CD . LYS A 1 180 ? 38.753 -3.644 -30.197 1.00 56.95 ? 180 LYS A CD 1 ATOM 1396 C CE . LYS A 1 180 ? 38.475 -4.293 -28.829 1.00 59.77 ? 180 LYS A CE 1 ATOM 1397 N NZ . LYS A 1 180 ? 39.154 -5.633 -28.719 1.00 61.56 ? 180 LYS A NZ 1 ATOM 1398 N N . SER A 1 181 ? 42.195 -0.344 -31.347 1.00 46.07 ? 181 SER A N 1 ATOM 1399 C CA . SER A 1 181 ? 43.540 -0.738 -31.755 1.00 45.54 ? 181 SER A CA 1 ATOM 1400 C C . SER A 1 181 ? 44.625 0.154 -31.159 1.00 42.53 ? 181 SER A C 1 ATOM 1401 O O . SER A 1 181 ? 45.680 -0.344 -30.806 1.00 41.53 ? 181 SER A O 1 ATOM 1402 C CB . SER A 1 181 ? 43.671 -0.882 -33.290 1.00 47.95 ? 181 SER A CB 1 ATOM 1403 O OG . SER A 1 181 ? 43.517 0.360 -33.946 1.00 48.28 ? 181 SER A OG 1 ATOM 1404 N N . ASP A 1 182 ? 44.366 1.453 -31.015 1.00 41.96 ? 182 ASP A N 1 ATOM 1405 C CA . ASP A 1 182 ? 45.310 2.332 -30.313 1.00 40.01 ? 182 ASP A CA 1 ATOM 1406 C C . ASP A 1 182 ? 45.363 2.038 -28.802 1.00 38.61 ? 182 ASP A C 1 ATOM 1407 O O . ASP A 1 182 ? 46.434 2.006 -28.209 1.00 37.09 ? 182 ASP A O 1 ATOM 1408 C CB . ASP A 1 182 ? 45.010 3.819 -30.562 1.00 40.78 ? 182 ASP A CB 1 ATOM 1409 C CG . ASP A 1 182 ? 45.480 4.301 -31.937 1.00 43.64 ? 182 ASP A CG 1 ATOM 1410 O OD1 . ASP A 1 182 ? 46.110 3.502 -32.680 1.00 46.02 ? 182 ASP A OD1 1 ATOM 1411 O OD2 . ASP A 1 182 ? 45.212 5.479 -32.287 1.00 44.74 ? 182 ASP A OD2 1 ATOM 1412 N N . LEU A 1 183 ? 44.213 1.784 -28.190 1.00 39.13 ? 183 LEU A N 1 ATOM 1413 C CA . LEU A 1 183 ? 44.166 1.553 -26.743 1.00 38.70 ? 183 LEU A CA 1 ATOM 1414 C C . LEU A 1 183 ? 44.922 0.287 -26.365 1.00 38.63 ? 183 LEU A C 1 ATOM 1415 O O . LEU A 1 183 ? 45.574 0.246 -25.332 1.00 37.93 ? 183 LEU A O 1 ATOM 1416 C CB . LEU A 1 183 ? 42.713 1.507 -26.241 1.00 39.65 ? 183 LEU A CB 1 ATOM 1417 C CG . LEU A 1 183 ? 42.036 2.882 -26.213 1.00 39.29 ? 183 LEU A CG 1 ATOM 1418 C CD1 . LEU A 1 183 ? 40.542 2.772 -26.068 1.00 37.74 ? 183 LEU A CD1 1 ATOM 1419 C CD2 . LEU A 1 183 ? 42.637 3.789 -25.124 1.00 38.05 ? 183 LEU A CD2 1 ATOM 1420 N N . GLU A 1 184 ? 44.869 -0.712 -27.245 1.00 40.12 ? 184 GLU A N 1 ATOM 1421 C CA . GLU A 1 184 ? 45.467 -2.018 -26.999 1.00 41.59 ? 184 GLU A CA 1 ATOM 1422 C C . GLU A 1 184 ? 46.835 -2.195 -27.626 1.00 41.02 ? 184 GLU A C 1 ATOM 1423 O O . GLU A 1 184 ? 47.393 -3.280 -27.599 1.00 42.21 ? 184 GLU A O 1 ATOM 1424 C CB . GLU A 1 184 ? 44.501 -3.120 -27.446 1.00 43.81 ? 184 GLU A CB 1 ATOM 1425 C CG . GLU A 1 184 ? 43.148 -3.029 -26.710 1.00 46.30 ? 184 GLU A CG 1 ATOM 1426 C CD . GLU A 1 184 ? 42.271 -4.263 -26.878 1.00 51.68 ? 184 GLU A CD 1 ATOM 1427 O OE1 . GLU A 1 184 ? 42.491 -5.054 -27.827 1.00 52.11 ? 184 GLU A OE1 1 ATOM 1428 O OE2 . GLU A 1 184 ? 41.340 -4.431 -26.056 1.00 54.67 ? 184 GLU A OE2 1 ATOM 1429 N N . LYS A 1 185 ? 47.369 -1.119 -28.191 1.00 41.14 ? 185 LYS A N 1 ATOM 1430 C CA . LYS A 1 185 ? 48.717 -1.098 -28.773 1.00 41.09 ? 185 LYS A CA 1 ATOM 1431 C C . LYS A 1 185 ? 49.765 -1.565 -27.768 1.00 40.65 ? 185 LYS A C 1 ATOM 1432 O O . LYS A 1 185 ? 49.665 -1.273 -26.566 1.00 39.70 ? 185 LYS A O 1 ATOM 1433 C CB . LYS A 1 185 ? 49.082 0.313 -29.237 1.00 40.33 ? 185 LYS A CB 1 ATOM 1434 N N . GLN A 1 186 ? 50.743 -2.305 -28.283 1.00 41.44 ? 186 GLN A N 1 ATOM 1435 C CA . GLN A 1 186 ? 51.893 -2.778 -27.522 1.00 41.58 ? 186 GLN A CA 1 ATOM 1436 C C . GLN A 1 186 ? 53.158 -2.248 -28.191 1.00 41.31 ? 186 GLN A C 1 ATOM 1437 O O . GLN A 1 186 ? 53.424 -2.538 -29.354 1.00 42.27 ? 186 GLN A O 1 ATOM 1438 C CB . GLN A 1 186 ? 51.934 -4.311 -27.479 1.00 42.75 ? 186 GLN A CB 1 ATOM 1439 C CG . GLN A 1 186 ? 50.783 -4.940 -26.691 1.00 43.46 ? 186 GLN A CG 1 ATOM 1440 C CD . GLN A 1 186 ? 50.959 -4.805 -25.175 1.00 43.14 ? 186 GLN A CD 1 ATOM 1441 O OE1 . GLN A 1 186 ? 52.072 -4.618 -24.682 1.00 40.26 ? 186 GLN A OE1 1 ATOM 1442 N NE2 . GLN A 1 186 ? 49.853 -4.915 -24.433 1.00 42.06 ? 186 GLN A NE2 1 ATOM 1443 N N . GLU A 1 187 ? 53.930 -1.464 -27.457 1.00 40.30 ? 187 GLU A N 1 ATOM 1444 C CA . GLU A 1 187 ? 55.200 -0.961 -27.978 1.00 40.60 ? 187 GLU A CA 1 ATOM 1445 C C . GLU A 1 187 ? 56.300 -1.413 -27.042 1.00 40.18 ? 187 GLU A C 1 ATOM 1446 O O . GLU A 1 187 ? 56.159 -1.339 -25.833 1.00 39.40 ? 187 GLU A O 1 ATOM 1447 C CB . GLU A 1 187 ? 55.163 0.568 -28.119 1.00 40.03 ? 187 GLU A CB 1 ATOM 1448 C CG . GLU A 1 187 ? 54.179 1.095 -29.212 1.00 41.72 ? 187 GLU A CG 1 ATOM 1449 N N . LYS A 1 188 ? 57.399 -1.887 -27.604 1.00 41.42 ? 188 LYS A N 1 ATOM 1450 C CA . LYS A 1 188 ? 58.427 -2.524 -26.817 1.00 41.68 ? 188 LYS A CA 1 ATOM 1451 C C . LYS A 1 188 ? 59.330 -1.522 -26.110 1.00 41.04 ? 188 LYS A C 1 ATOM 1452 O O . LYS A 1 188 ? 59.735 -0.520 -26.698 1.00 40.89 ? 188 LYS A O 1 ATOM 1453 C CB . LYS A 1 188 ? 59.250 -3.450 -27.709 1.00 44.22 ? 188 LYS A CB 1 ATOM 1454 C CG . LYS A 1 188 ? 58.436 -4.573 -28.362 1.00 45.68 ? 188 LYS A CG 1 ATOM 1455 C CD . LYS A 1 188 ? 59.313 -5.420 -29.291 1.00 50.25 ? 188 LYS A CD 1 ATOM 1456 C CE . LYS A 1 188 ? 58.522 -6.601 -29.876 1.00 53.29 ? 188 LYS A CE 1 ATOM 1457 N NZ . LYS A 1 188 ? 59.404 -7.723 -30.360 1.00 56.79 ? 188 LYS A NZ 1 ATOM 1458 N N . PRO A 1 189 ? 59.668 -1.796 -24.840 1.00 41.02 ? 189 PRO A N 1 ATOM 1459 C CA . PRO A 1 189 ? 60.723 -1.016 -24.203 1.00 40.67 ? 189 PRO A CA 1 ATOM 1460 C C . PRO A 1 189 ? 62.094 -1.345 -24.790 1.00 42.26 ? 189 PRO A C 1 ATOM 1461 O O . PRO A 1 189 ? 62.323 -2.461 -25.263 1.00 43.10 ? 189 PRO A O 1 ATOM 1462 C CB . PRO A 1 189 ? 60.685 -1.484 -22.754 1.00 41.18 ? 189 PRO A CB 1 ATOM 1463 C CG . PRO A 1 189 ? 60.121 -2.861 -22.817 1.00 42.36 ? 189 PRO A CG 1 ATOM 1464 C CD . PRO A 1 189 ? 59.153 -2.864 -23.967 1.00 41.33 ? 189 PRO A CD 1 ATOM 1465 N N . VAL A 1 190 ? 62.969 -0.340 -24.769 1.00 42.06 ? 190 VAL A N 1 ATOM 1466 C CA . VAL A 1 190 ? 64.373 -0.461 -25.090 1.00 43.86 ? 190 VAL A CA 1 ATOM 1467 C C . VAL A 1 190 ? 65.056 0.054 -23.830 1.00 43.72 ? 190 VAL A C 1 ATOM 1468 O O . VAL A 1 190 ? 64.648 1.084 -23.275 1.00 43.04 ? 190 VAL A O 1 ATOM 1469 C CB . VAL A 1 190 ? 64.742 0.429 -26.312 1.00 44.42 ? 190 VAL A CB 1 ATOM 1470 C CG1 . VAL A 1 190 ? 66.239 0.633 -26.422 1.00 45.89 ? 190 VAL A CG1 1 ATOM 1471 C CG2 . VAL A 1 190 ? 64.196 -0.192 -27.605 1.00 45.16 ? 190 VAL A CG2 1 ATOM 1472 N N . ALA A 1 191 ? 66.073 -0.669 -23.377 1.00 44.61 ? 191 ALA A N 1 ATOM 1473 C CA . ALA A 1 191 ? 66.755 -0.353 -22.132 1.00 44.76 ? 191 ALA A CA 1 ATOM 1474 C C . ALA A 1 191 ? 68.195 0.014 -22.390 1.00 46.32 ? 191 ALA A C 1 ATOM 1475 O O . ALA A 1 191 ? 68.784 -0.442 -23.366 1.00 47.55 ? 191 ALA A O 1 ATOM 1476 C CB . ALA A 1 191 ? 66.695 -1.529 -21.189 1.00 45.85 ? 191 ALA A CB 1 ATOM 1477 N N . TRP A 1 192 ? 68.768 0.838 -21.518 1.00 46.28 ? 192 TRP A N 1 ATOM 1478 C CA . TRP A 1 192 ? 70.215 1.055 -21.538 1.00 48.05 ? 192 TRP A CA 1 ATOM 1479 C C . TRP A 1 192 ? 70.732 1.432 -20.156 1.00 49.42 ? 192 TRP A C 1 ATOM 1480 O O . TRP A 1 192 ? 69.976 1.944 -19.316 1.00 48.60 ? 192 TRP A O 1 ATOM 1481 C CB . TRP A 1 192 ? 70.630 2.084 -22.605 1.00 47.70 ? 192 TRP A CB 1 ATOM 1482 C CG . TRP A 1 192 ? 70.186 3.490 -22.354 1.00 46.00 ? 192 TRP A CG 1 ATOM 1483 C CD1 . TRP A 1 192 ? 70.930 4.494 -21.800 1.00 46.75 ? 192 TRP A CD1 1 ATOM 1484 C CD2 . TRP A 1 192 ? 68.905 4.066 -22.666 1.00 42.93 ? 192 TRP A CD2 1 ATOM 1485 N NE1 . TRP A 1 192 ? 70.190 5.654 -21.739 1.00 45.33 ? 192 TRP A NE1 1 ATOM 1486 C CE2 . TRP A 1 192 ? 68.948 5.423 -22.264 1.00 42.16 ? 192 TRP A CE2 1 ATOM 1487 C CE3 . TRP A 1 192 ? 67.723 3.565 -23.233 1.00 41.63 ? 192 TRP A CE3 1 ATOM 1488 C CZ2 . TRP A 1 192 ? 67.863 6.288 -22.417 1.00 40.55 ? 192 TRP A CZ2 1 ATOM 1489 C CZ3 . TRP A 1 192 ? 66.631 4.437 -23.388 1.00 39.39 ? 192 TRP A CZ3 1 ATOM 1490 C CH2 . TRP A 1 192 ? 66.714 5.776 -22.981 1.00 38.86 ? 192 TRP A CH2 1 ATOM 1491 N N . LEU A 1 193 ? 72.021 1.196 -19.934 1.00 51.71 ? 193 LEU A N 1 ATOM 1492 C CA . LEU A 1 193 ? 72.621 1.368 -18.625 1.00 53.54 ? 193 LEU A CA 1 ATOM 1493 C C . LEU A 1 193 ? 73.574 2.547 -18.588 1.00 54.90 ? 193 LEU A C 1 ATOM 1494 O O . LEU A 1 193 ? 74.149 2.933 -19.611 1.00 55.45 ? 193 LEU A O 1 ATOM 1495 C CB . LEU A 1 193 ? 73.365 0.086 -18.215 1.00 56.40 ? 193 LEU A CB 1 ATOM 1496 C CG . LEU A 1 193 ? 72.588 -1.225 -18.340 1.00 55.76 ? 193 LEU A CG 1 ATOM 1497 C CD1 . LEU A 1 193 ? 73.476 -2.401 -17.939 1.00 59.25 ? 193 LEU A CD1 1 ATOM 1498 C CD2 . LEU A 1 193 ? 71.316 -1.177 -17.496 1.00 52.79 ? 193 LEU A CD2 1 ATOM 1499 N N . SER A 1 194 ? 73.755 3.102 -17.391 1.00 56.15 ? 194 SER A N 1 ATOM 1500 C CA . SER A 1 194 ? 74.708 4.191 -17.151 1.00 57.86 ? 194 SER A CA 1 ATOM 1501 C C . SER A 1 194 ? 74.949 4.351 -15.649 1.00 59.98 ? 194 SER A C 1 ATOM 1502 O O . SER A 1 194 ? 74.291 3.691 -14.839 1.00 59.26 ? 194 SER A O 1 ATOM 1503 C CB . SER A 1 194 ? 74.187 5.499 -17.749 1.00 56.26 ? 194 SER A CB 1 ATOM 1504 O OG . SER A 1 194 ? 72.906 5.818 -17.226 1.00 53.55 ? 194 SER A OG 1 ATOM 1505 N N . SER A 1 195 ? 75.888 5.220 -15.276 1.00 62.62 ? 195 SER A N 1 ATOM 1506 C CA . SER A 1 195 ? 76.263 5.371 -13.871 1.00 66.07 ? 195 SER A CA 1 ATOM 1507 C C . SER A 1 195 ? 76.723 6.775 -13.494 1.00 68.09 ? 195 SER A C 1 ATOM 1508 O O . SER A 1 195 ? 77.336 7.471 -14.302 1.00 68.74 ? 195 SER A O 1 ATOM 1509 C CB . SER A 1 195 ? 77.346 4.352 -13.498 1.00 69.05 ? 195 SER A CB 1 ATOM 1510 O OG . SER A 1 195 ? 78.556 4.611 -14.192 1.00 71.55 ? 195 SER A OG 1 ATOM 1511 N N . VAL A 1 196 ? 76.419 7.170 -12.258 1.00 70.13 ? 196 VAL A N 1 ATOM 1512 C CA . VAL A 1 196 ? 76.898 8.428 -11.661 1.00 73.13 ? 196 VAL A CA 1 ATOM 1513 C C . VAL A 1 196 ? 77.444 8.199 -10.238 1.00 77.47 ? 196 VAL A C 1 ATOM 1514 O O . VAL A 1 196 ? 77.258 7.115 -9.681 1.00 78.11 ? 196 VAL A O 1 ATOM 1515 C CB . VAL A 1 196 ? 75.790 9.518 -11.624 1.00 71.02 ? 196 VAL A CB 1 ATOM 1516 C CG1 . VAL A 1 196 ? 75.573 10.110 -13.009 1.00 68.45 ? 196 VAL A CG1 1 ATOM 1517 C CG2 . VAL A 1 196 ? 74.486 8.979 -11.015 1.00 69.48 ? 196 VAL A CG2 1 ATOM 1518 N N . PRO A 1 197 ? 78.127 9.210 -9.647 1.00 80.99 ? 197 PRO A N 1 ATOM 1519 C CA . PRO A 1 197 ? 78.528 9.079 -8.235 1.00 85.23 ? 197 PRO A CA 1 ATOM 1520 C C . PRO A 1 197 ? 77.363 9.353 -7.267 1.00 85.14 ? 197 PRO A C 1 ATOM 1521 O O . PRO A 1 197 ? 77.419 8.970 -6.090 1.00 88.19 ? 197 PRO A O 1 ATOM 1522 C CB . PRO A 1 197 ? 79.618 10.142 -8.081 1.00 88.67 ? 197 PRO A CB 1 ATOM 1523 C CG . PRO A 1 197 ? 79.250 11.190 -9.090 1.00 86.06 ? 197 PRO A CG 1 ATOM 1524 C CD . PRO A 1 197 ? 78.658 10.447 -10.258 1.00 81.45 ? 197 PRO A CD 1 ATOM 1525 N N . ARG A 1 204 ? 79.151 4.727 -5.945 1.00 92.57 ? 204 ARG A N 1 ATOM 1526 C CA . ARG A 1 204 ? 78.545 4.952 -7.266 1.00 88.09 ? 204 ARG A CA 1 ATOM 1527 C C . ARG A 1 204 ? 77.052 4.561 -7.367 1.00 84.43 ? 204 ARG A C 1 ATOM 1528 O O . ARG A 1 204 ? 76.502 3.903 -6.479 1.00 85.86 ? 204 ARG A O 1 ATOM 1529 C CB . ARG A 1 204 ? 79.376 4.274 -8.367 1.00 87.79 ? 204 ARG A CB 1 ATOM 1530 N N . GLN A 1 205 ? 76.406 4.972 -8.458 1.00 80.18 ? 205 GLN A N 1 ATOM 1531 C CA . GLN A 1 205 ? 74.974 4.747 -8.656 1.00 76.36 ? 205 GLN A CA 1 ATOM 1532 C C . GLN A 1 205 ? 74.625 4.368 -10.107 1.00 72.25 ? 205 GLN A C 1 ATOM 1533 O O . GLN A 1 205 ? 74.862 5.142 -11.039 1.00 70.79 ? 205 GLN A O 1 ATOM 1534 C CB . GLN A 1 205 ? 74.176 5.978 -8.212 1.00 75.74 ? 205 GLN A CB 1 ATOM 1535 C CG . GLN A 1 205 ? 72.691 5.901 -8.537 1.00 73.39 ? 205 GLN A CG 1 ATOM 1536 C CD . GLN A 1 205 ? 71.848 6.799 -7.651 1.00 76.01 ? 205 GLN A CD 1 ATOM 1537 O OE1 . GLN A 1 205 ? 72.028 6.834 -6.424 1.00 79.80 ? 205 GLN A OE1 1 ATOM 1538 N NE2 . GLN A 1 205 ? 70.913 7.526 -8.264 1.00 72.05 ? 205 GLN A NE2 1 ATOM 1539 N N . LEU A 1 206 ? 74.044 3.180 -10.273 1.00 70.40 ? 206 LEU A N 1 ATOM 1540 C CA . LEU A 1 206 ? 73.712 2.634 -11.588 1.00 66.78 ? 206 LEU A CA 1 ATOM 1541 C C . LEU A 1 206 ? 72.279 2.963 -11.991 1.00 62.82 ? 206 LEU A C 1 ATOM 1542 O O . LEU A 1 206 ? 71.366 2.931 -11.168 1.00 62.63 ? 206 LEU A O 1 ATOM 1543 C CB . LEU A 1 206 ? 73.941 1.121 -11.617 1.00 67.79 ? 206 LEU A CB 1 ATOM 1544 C CG . LEU A 1 206 ? 75.366 0.597 -11.864 1.00 70.83 ? 206 LEU A CG 1 ATOM 1545 C CD1 . LEU A 1 206 ? 76.423 1.300 -11.027 1.00 73.19 ? 206 LEU A CD1 1 ATOM 1546 C CD2 . LEU A 1 206 ? 75.439 -0.904 -11.632 1.00 72.47 ? 206 LEU A CD2 1 ATOM 1547 N N . VAL A 1 207 ? 72.100 3.285 -13.267 1.00 59.70 ? 207 VAL A N 1 ATOM 1548 C CA . VAL A 1 207 ? 70.800 3.634 -13.804 1.00 55.91 ? 207 VAL A CA 1 ATOM 1549 C C . VAL A 1 207 ? 70.436 2.692 -14.926 1.00 54.11 ? 207 VAL A C 1 ATOM 1550 O O . VAL A 1 207 ? 71.217 2.460 -15.844 1.00 54.35 ? 207 VAL A O 1 ATOM 1551 C CB . VAL A 1 207 ? 70.764 5.075 -14.355 1.00 54.80 ? 207 VAL A CB 1 ATOM 1552 C CG1 . VAL A 1 207 ? 69.333 5.478 -14.694 1.00 50.95 ? 207 VAL A CG1 1 ATOM 1553 C CG2 . VAL A 1 207 ? 71.374 6.050 -13.355 1.00 56.99 ? 207 VAL A CG2 1 ATOM 1554 N N . CYS A 1 208 ? 69.240 2.140 -14.835 1.00 52.42 ? 208 CYS A N 1 ATOM 1555 C CA . CYS A 1 208 ? 68.685 1.398 -15.929 1.00 50.74 ? 208 CYS A CA 1 ATOM 1556 C C . CYS A 1 208 ? 67.540 2.205 -16.564 1.00 47.64 ? 208 CYS A C 1 ATOM 1557 O O . CYS A 1 208 ? 66.509 2.434 -15.933 1.00 46.45 ? 208 CYS A O 1 ATOM 1558 C CB . CYS A 1 208 ? 68.181 0.064 -15.435 1.00 51.65 ? 208 CYS A CB 1 ATOM 1559 S SG . CYS A 1 208 ? 67.506 -0.932 -16.745 1.00 51.72 ? 208 CYS A SG 1 ATOM 1560 N N . HIS A 1 209 ? 67.759 2.630 -17.809 1.00 46.18 ? 209 HIS A N 1 ATOM 1561 C CA . HIS A 1 209 ? 66.831 3.442 -18.571 1.00 43.40 ? 209 HIS A CA 1 ATOM 1562 C C . HIS A 1 209 ? 65.925 2.558 -19.402 1.00 42.18 ? 209 HIS A C 1 ATOM 1563 O O . HIS A 1 209 ? 66.392 1.724 -20.171 1.00 43.12 ? 209 HIS A O 1 ATOM 1564 C CB . HIS A 1 209 ? 67.586 4.361 -19.517 1.00 43.15 ? 209 HIS A CB 1 ATOM 1565 C CG . HIS A 1 209 ? 68.649 5.185 -18.855 1.00 45.14 ? 209 HIS A CG 1 ATOM 1566 N ND1 . HIS A 1 209 ? 68.478 6.519 -18.553 1.00 43.91 ? 209 HIS A ND1 1 ATOM 1567 C CD2 . HIS A 1 209 ? 69.898 4.863 -18.446 1.00 46.31 ? 209 HIS A CD2 1 ATOM 1568 C CE1 . HIS A 1 209 ? 69.571 6.979 -17.976 1.00 46.52 ? 209 HIS A CE1 1 ATOM 1569 N NE2 . HIS A 1 209 ? 70.445 5.994 -17.898 1.00 47.26 ? 209 HIS A NE2 1 ATOM 1570 N N . VAL A 1 210 ? 64.621 2.763 -19.271 1.00 40.90 ? 210 VAL A N 1 ATOM 1571 C CA . VAL A 1 210 ? 63.654 1.986 -20.022 1.00 39.36 ? 210 VAL A CA 1 ATOM 1572 C C . VAL A 1 210 ? 62.742 2.965 -20.741 1.00 37.96 ? 210 VAL A C 1 ATOM 1573 O O . VAL A 1 210 ? 62.065 3.798 -20.102 1.00 37.27 ? 210 VAL A O 1 ATOM 1574 C CB . VAL A 1 210 ? 62.849 1.072 -19.083 1.00 39.49 ? 210 VAL A CB 1 ATOM 1575 C CG1 . VAL A 1 210 ? 61.972 0.131 -19.879 1.00 39.04 ? 210 VAL A CG1 1 ATOM 1576 C CG2 . VAL A 1 210 ? 63.793 0.282 -18.185 1.00 41.34 ? 210 VAL A CG2 1 ATOM 1577 N N . SER A 1 211 ? 62.703 2.866 -22.067 1.00 36.80 ? 211 SER A N 1 ATOM 1578 C CA . SER A 1 211 ? 62.025 3.887 -22.833 1.00 35.41 ? 211 SER A CA 1 ATOM 1579 C C . SER A 1 211 ? 61.338 3.339 -24.060 1.00 34.99 ? 211 SER A C 1 ATOM 1580 O O . SER A 1 211 ? 61.859 2.439 -24.736 1.00 35.73 ? 211 SER A O 1 ATOM 1581 C CB . SER A 1 211 ? 63.038 4.949 -23.263 1.00 35.76 ? 211 SER A CB 1 ATOM 1582 O OG . SER A 1 211 ? 62.401 6.024 -23.907 1.00 35.94 ? 211 SER A OG 1 ATOM 1583 N N . GLY A 1 212 ? 60.168 3.903 -24.348 1.00 33.61 ? 212 GLY A N 1 ATOM 1584 C CA . GLY A 1 212 ? 59.435 3.575 -25.556 1.00 33.55 ? 212 GLY A CA 1 ATOM 1585 C C . GLY A 1 212 ? 58.362 2.518 -25.375 1.00 33.28 ? 212 GLY A C 1 ATOM 1586 O O . GLY A 1 212 ? 57.777 2.077 -26.363 1.00 33.68 ? 212 GLY A O 1 ATOM 1587 N N . PHE A 1 213 ? 58.091 2.116 -24.126 1.00 33.40 ? 213 PHE A N 1 ATOM 1588 C CA . PHE A 1 213 ? 57.082 1.080 -23.847 1.00 33.46 ? 213 PHE A CA 1 ATOM 1589 C C . PHE A 1 213 ? 55.642 1.610 -23.752 1.00 33.59 ? 213 PHE A C 1 ATOM 1590 O O . PHE A 1 213 ? 55.384 2.731 -23.283 1.00 32.96 ? 213 PHE A O 1 ATOM 1591 C CB . PHE A 1 213 ? 57.433 0.228 -22.608 1.00 34.29 ? 213 PHE A CB 1 ATOM 1592 C CG . PHE A 1 213 ? 57.531 1.010 -21.306 1.00 34.61 ? 213 PHE A CG 1 ATOM 1593 C CD1 . PHE A 1 213 ? 58.715 1.649 -20.941 1.00 35.27 ? 213 PHE A CD1 1 ATOM 1594 C CD2 . PHE A 1 213 ? 56.451 1.071 -20.431 1.00 34.42 ? 213 PHE A CD2 1 ATOM 1595 C CE1 . PHE A 1 213 ? 58.806 2.355 -19.742 1.00 34.29 ? 213 PHE A CE1 1 ATOM 1596 C CE2 . PHE A 1 213 ? 56.530 1.778 -19.238 1.00 33.66 ? 213 PHE A CE2 1 ATOM 1597 C CZ . PHE A 1 213 ? 57.710 2.408 -18.892 1.00 35.56 ? 213 PHE A CZ 1 ATOM 1598 N N . TYR A 1 214 ? 54.707 0.791 -24.224 1.00 34.40 ? 214 TYR A N 1 ATOM 1599 C CA . TYR A 1 214 ? 53.295 1.053 -24.021 1.00 34.96 ? 214 TYR A CA 1 ATOM 1600 C C . TYR A 1 214 ? 52.619 -0.300 -24.011 1.00 36.10 ? 214 TYR A C 1 ATOM 1601 O O . TYR A 1 214 ? 52.991 -1.155 -24.801 1.00 36.96 ? 214 TYR A O 1 ATOM 1602 C CB . TYR A 1 214 ? 52.710 1.959 -25.127 1.00 34.53 ? 214 TYR A CB 1 ATOM 1603 C CG . TYR A 1 214 ? 51.344 2.444 -24.748 1.00 35.40 ? 214 TYR A CG 1 ATOM 1604 C CD1 . TYR A 1 214 ? 50.203 1.684 -25.056 1.00 37.28 ? 214 TYR A CD1 1 ATOM 1605 C CD2 . TYR A 1 214 ? 51.181 3.616 -24.008 1.00 33.20 ? 214 TYR A CD2 1 ATOM 1606 C CE1 . TYR A 1 214 ? 48.921 2.101 -24.645 1.00 37.87 ? 214 TYR A CE1 1 ATOM 1607 C CE2 . TYR A 1 214 ? 49.907 4.055 -23.613 1.00 36.31 ? 214 TYR A CE2 1 ATOM 1608 C CZ . TYR A 1 214 ? 48.784 3.288 -23.934 1.00 37.61 ? 214 TYR A CZ 1 ATOM 1609 O OH . TYR A 1 214 ? 47.534 3.685 -23.542 1.00 38.33 ? 214 TYR A OH 1 ATOM 1610 N N . PRO A 1 215 ? 51.645 -0.519 -23.100 1.00 37.00 ? 215 PRO A N 1 ATOM 1611 C CA . PRO A 1 215 ? 51.127 0.400 -22.066 1.00 36.89 ? 215 PRO A CA 1 ATOM 1612 C C . PRO A 1 215 ? 52.023 0.523 -20.849 1.00 37.31 ? 215 PRO A C 1 ATOM 1613 O O . PRO A 1 215 ? 53.049 -0.148 -20.751 1.00 37.78 ? 215 PRO A O 1 ATOM 1614 C CB . PRO A 1 215 ? 49.780 -0.233 -21.670 1.00 37.85 ? 215 PRO A CB 1 ATOM 1615 C CG . PRO A 1 215 ? 49.989 -1.692 -21.885 1.00 38.06 ? 215 PRO A CG 1 ATOM 1616 C CD . PRO A 1 215 ? 50.945 -1.818 -23.074 1.00 37.67 ? 215 PRO A CD 1 ATOM 1617 N N . LYS A 1 216 ? 51.587 1.368 -19.926 1.00 38.24 ? 216 LYS A N 1 ATOM 1618 C CA . LYS A 1 216 ? 52.328 1.780 -18.733 1.00 39.39 ? 216 LYS A CA 1 ATOM 1619 C C . LYS A 1 216 ? 52.817 0.688 -17.771 1.00 40.83 ? 216 LYS A C 1 ATOM 1620 O O . LYS A 1 216 ? 53.947 0.778 -17.310 1.00 41.72 ? 216 LYS A O 1 ATOM 1621 C CB . LYS A 1 216 ? 51.503 2.811 -17.957 1.00 40.34 ? 216 LYS A CB 1 ATOM 1622 C CG . LYS A 1 216 ? 52.291 3.960 -17.346 1.00 41.41 ? 216 LYS A CG 1 ATOM 1623 C CD . LYS A 1 216 ? 51.331 4.858 -16.598 1.00 43.78 ? 216 LYS A CD 1 ATOM 1624 C CE . LYS A 1 216 ? 52.013 6.104 -16.042 1.00 44.65 ? 216 LYS A CE 1 ATOM 1625 N NZ . LYS A 1 216 ? 51.337 6.568 -14.783 1.00 47.66 ? 216 LYS A NZ 1 ATOM 1626 N N . PRO A 1 217 ? 51.990 -0.339 -17.448 1.00 41.82 ? 217 PRO A N 1 ATOM 1627 C CA . PRO A 1 217 ? 52.534 -1.315 -16.483 1.00 43.36 ? 217 PRO A CA 1 ATOM 1628 C C . PRO A 1 217 ? 53.871 -1.940 -16.926 1.00 43.27 ? 217 PRO A C 1 ATOM 1629 O O . PRO A 1 217 ? 54.037 -2.331 -18.086 1.00 42.33 ? 217 PRO A O 1 ATOM 1630 C CB . PRO A 1 217 ? 51.424 -2.375 -16.394 1.00 44.66 ? 217 PRO A CB 1 ATOM 1631 C CG . PRO A 1 217 ? 50.167 -1.595 -16.679 1.00 43.58 ? 217 PRO A CG 1 ATOM 1632 C CD . PRO A 1 217 ? 50.580 -0.635 -17.773 1.00 41.62 ? 217 PRO A CD 1 ATOM 1633 N N . VAL A 1 218 ? 54.816 -2.021 -15.996 1.00 44.39 ? 218 VAL A N 1 ATOM 1634 C CA . VAL A 1 218 ? 56.187 -2.417 -16.316 1.00 44.30 ? 218 VAL A CA 1 ATOM 1635 C C . VAL A 1 218 ? 56.892 -2.882 -15.045 1.00 46.25 ? 218 VAL A C 1 ATOM 1636 O O . VAL A 1 218 ? 56.537 -2.478 -13.935 1.00 47.22 ? 218 VAL A O 1 ATOM 1637 C CB . VAL A 1 218 ? 56.963 -1.253 -17.014 1.00 42.84 ? 218 VAL A CB 1 ATOM 1638 C CG1 . VAL A 1 218 ? 57.380 -0.210 -16.026 1.00 44.50 ? 218 VAL A CG1 1 ATOM 1639 C CG2 . VAL A 1 218 ? 58.170 -1.758 -17.796 1.00 41.59 ? 218 VAL A CG2 1 ATOM 1640 N N . TRP A 1 219 ? 57.889 -3.739 -15.216 1.00 47.07 ? 219 TRP A N 1 ATOM 1641 C CA . TRP A 1 219 ? 58.642 -4.265 -14.098 1.00 49.16 ? 219 TRP A CA 1 ATOM 1642 C C . TRP A 1 219 ? 60.138 -4.077 -14.372 1.00 49.21 ? 219 TRP A C 1 ATOM 1643 O O . TRP A 1 219 ? 60.673 -4.561 -15.373 1.00 48.75 ? 219 TRP A O 1 ATOM 1644 C CB . TRP A 1 219 ? 58.269 -5.727 -13.914 1.00 50.85 ? 219 TRP A CB 1 ATOM 1645 C CG . TRP A 1 219 ? 58.809 -6.409 -12.695 1.00 54.37 ? 219 TRP A CG 1 ATOM 1646 C CD1 . TRP A 1 219 ? 58.153 -6.617 -11.501 1.00 56.70 ? 219 TRP A CD1 1 ATOM 1647 C CD2 . TRP A 1 219 ? 60.078 -7.048 -12.568 1.00 56.36 ? 219 TRP A CD2 1 ATOM 1648 N NE1 . TRP A 1 219 ? 58.949 -7.326 -10.640 1.00 59.49 ? 219 TRP A NE1 1 ATOM 1649 C CE2 . TRP A 1 219 ? 60.136 -7.609 -11.266 1.00 60.28 ? 219 TRP A CE2 1 ATOM 1650 C CE3 . TRP A 1 219 ? 61.178 -7.203 -13.424 1.00 55.94 ? 219 TRP A CE3 1 ATOM 1651 C CZ2 . TRP A 1 219 ? 61.258 -8.303 -10.799 1.00 62.59 ? 219 TRP A CZ2 1 ATOM 1652 C CZ3 . TRP A 1 219 ? 62.290 -7.897 -12.961 1.00 58.63 ? 219 TRP A CZ3 1 ATOM 1653 C CH2 . TRP A 1 219 ? 62.318 -8.443 -11.660 1.00 62.87 ? 219 TRP A CH2 1 ATOM 1654 N N . VAL A 1 220 ? 60.810 -3.339 -13.501 1.00 49.63 ? 220 VAL A N 1 ATOM 1655 C CA . VAL A 1 220 ? 62.225 -3.109 -13.697 1.00 49.75 ? 220 VAL A CA 1 ATOM 1656 C C . VAL A 1 220 ? 62.967 -3.370 -12.394 1.00 52.86 ? 220 VAL A C 1 ATOM 1657 O O . VAL A 1 220 ? 62.678 -2.741 -11.376 1.00 53.89 ? 220 VAL A O 1 ATOM 1658 C CB . VAL A 1 220 ? 62.507 -1.687 -14.198 1.00 47.64 ? 220 VAL A CB 1 ATOM 1659 C CG1 . VAL A 1 220 ? 63.999 -1.501 -14.447 1.00 47.46 ? 220 VAL A CG1 1 ATOM 1660 C CG2 . VAL A 1 220 ? 61.728 -1.396 -15.483 1.00 45.02 ? 220 VAL A CG2 1 ATOM 1661 N N . MET A 1 221 ? 63.921 -4.295 -12.431 1.00 54.76 ? 221 MET A N 1 ATOM 1662 C CA . MET A 1 221 ? 64.644 -4.680 -11.232 1.00 58.37 ? 221 MET A CA 1 ATOM 1663 C C . MET A 1 221 ? 66.115 -4.875 -11.538 1.00 59.63 ? 221 MET A C 1 ATOM 1664 O O . MET A 1 221 ? 66.466 -5.431 -12.579 1.00 58.81 ? 221 MET A O 1 ATOM 1665 C CB . MET A 1 221 ? 64.060 -5.984 -10.666 1.00 61.05 ? 221 MET A CB 1 ATOM 1666 C CG . MET A 1 221 ? 64.140 -6.134 -9.155 1.00 65.57 ? 221 MET A CG 1 ATOM 1667 S SD . MET A 1 221 ? 63.285 -4.782 -8.308 1.00 69.03 ? 221 MET A SD 1 ATOM 1668 C CE . MET A 1 221 ? 61.569 -5.191 -8.626 1.00 67.52 ? 221 MET A CE 1 ATOM 1669 N N . TRP A 1 222 ? 66.971 -4.416 -10.632 1.00 61.76 ? 222 TRP A N 1 ATOM 1670 C CA . TRP A 1 222 ? 68.377 -4.784 -10.689 1.00 64.34 ? 222 TRP A CA 1 ATOM 1671 C C . TRP A 1 222 ? 68.564 -6.170 -10.080 1.00 68.04 ? 222 TRP A C 1 ATOM 1672 O O . TRP A 1 222 ? 67.932 -6.509 -9.081 1.00 69.81 ? 222 TRP A O 1 ATOM 1673 C CB . TRP A 1 222 ? 69.249 -3.751 -9.982 1.00 65.56 ? 222 TRP A CB 1 ATOM 1674 C CG . TRP A 1 222 ? 69.485 -2.512 -10.804 1.00 62.13 ? 222 TRP A CG 1 ATOM 1675 C CD1 . TRP A 1 222 ? 68.769 -1.347 -10.759 1.00 59.55 ? 222 TRP A CD1 1 ATOM 1676 C CD2 . TRP A 1 222 ? 70.507 -2.317 -11.788 1.00 61.15 ? 222 TRP A CD2 1 ATOM 1677 N NE1 . TRP A 1 222 ? 69.278 -0.439 -11.656 1.00 57.69 ? 222 TRP A NE1 1 ATOM 1678 C CE2 . TRP A 1 222 ? 70.348 -1.006 -12.301 1.00 59.56 ? 222 TRP A CE2 1 ATOM 1679 C CE3 . TRP A 1 222 ? 71.546 -3.120 -12.286 1.00 62.81 ? 222 TRP A CE3 1 ATOM 1680 C CZ2 . TRP A 1 222 ? 71.192 -0.478 -13.296 1.00 58.13 ? 222 TRP A CZ2 1 ATOM 1681 C CZ3 . TRP A 1 222 ? 72.388 -2.596 -13.276 1.00 61.85 ? 222 TRP A CZ3 1 ATOM 1682 C CH2 . TRP A 1 222 ? 72.205 -1.287 -13.767 1.00 60.41 ? 222 TRP A CH2 1 ATOM 1683 N N . MET A 1 223 ? 69.425 -6.970 -10.705 1.00 69.73 ? 223 MET A N 1 ATOM 1684 C CA . MET A 1 223 ? 69.635 -8.367 -10.320 1.00 73.35 ? 223 MET A CA 1 ATOM 1685 C C . MET A 1 223 ? 71.111 -8.683 -10.306 1.00 76.56 ? 223 MET A C 1 ATOM 1686 O O . MET A 1 223 ? 71.834 -8.262 -11.203 1.00 75.44 ? 223 MET A O 1 ATOM 1687 C CB . MET A 1 223 ? 69.011 -9.321 -11.344 1.00 72.21 ? 223 MET A CB 1 ATOM 1688 C CG . MET A 1 223 ? 67.644 -8.934 -11.894 1.00 68.61 ? 223 MET A CG 1 ATOM 1689 S SD . MET A 1 223 ? 66.305 -9.475 -10.831 1.00 70.63 ? 223 MET A SD 1 ATOM 1690 C CE . MET A 1 223 ? 66.489 -11.265 -10.835 1.00 73.56 ? 223 MET A CE 1 ATOM 1691 N N . ARG A 1 224 ? 71.550 -9.436 -9.301 1.00 80.86 ? 224 ARG A N 1 ATOM 1692 C CA . ARG A 1 224 ? 72.815 -10.166 -9.375 1.00 84.67 ? 224 ARG A CA 1 ATOM 1693 C C . ARG A 1 224 ? 72.424 -11.626 -9.618 1.00 86.57 ? 224 ARG A C 1 ATOM 1694 O O . ARG A 1 224 ? 71.992 -12.332 -8.694 1.00 88.97 ? 224 ARG A O 1 ATOM 1695 C CB . ARG A 1 224 ? 73.635 -10.003 -8.086 1.00 88.78 ? 224 ARG A CB 1 ATOM 1696 C CG . ARG A 1 224 ? 75.004 -10.698 -8.091 1.00 93.77 ? 224 ARG A CG 1 ATOM 1697 C CD . ARG A 1 224 ? 75.840 -10.321 -6.863 1.00 97.55 ? 224 ARG A CD 1 ATOM 1698 N NE . ARG A 1 224 ? 75.829 -8.872 -6.644 1.00 95.59 ? 224 ARG A NE 1 ATOM 1699 C CZ . ARG A 1 224 ? 76.662 -8.008 -7.223 1.00 94.28 ? 224 ARG A CZ 1 ATOM 1700 N NH1 . ARG A 1 224 ? 77.607 -8.430 -8.056 1.00 94.95 ? 224 ARG A NH1 1 ATOM 1701 N NH2 . ARG A 1 224 ? 76.554 -6.713 -6.959 1.00 91.67 ? 224 ARG A NH2 1 ATOM 1702 N N . GLY A 1 225 ? 72.545 -12.057 -10.874 1.00 85.27 ? 225 GLY A N 1 ATOM 1703 C CA . GLY A 1 225 ? 72.045 -13.363 -11.295 1.00 86.58 ? 225 GLY A CA 1 ATOM 1704 C C . GLY A 1 225 ? 70.537 -13.423 -11.125 1.00 84.28 ? 225 GLY A C 1 ATOM 1705 O O . GLY A 1 225 ? 69.786 -12.704 -11.814 1.00 79.95 ? 225 GLY A O 1 ATOM 1706 N N . ASP A 1 226 ? 70.098 -14.255 -10.186 1.00 87.25 ? 226 ASP A N 1 ATOM 1707 C CA . ASP A 1 226 ? 68.673 -14.434 -9.913 1.00 86.07 ? 226 ASP A CA 1 ATOM 1708 C C . ASP A 1 226 ? 68.200 -13.766 -8.614 1.00 86.16 ? 226 ASP A C 1 ATOM 1709 O O . ASP A 1 226 ? 67.016 -13.835 -8.270 1.00 85.30 ? 226 ASP A O 1 ATOM 1710 C CB . ASP A 1 226 ? 68.294 -15.923 -9.937 1.00 89.80 ? 226 ASP A CB 1 ATOM 1711 C CG . ASP A 1 226 ? 67.754 -16.365 -11.291 1.00 88.19 ? 226 ASP A CG 1 ATOM 1712 N N . GLN A 1 227 ? 69.118 -13.116 -7.903 1.00 87.33 ? 227 GLN A N 1 ATOM 1713 C CA . GLN A 1 227 ? 68.760 -12.402 -6.677 1.00 87.84 ? 227 GLN A CA 1 ATOM 1714 C C . GLN A 1 227 ? 68.400 -10.940 -6.983 1.00 83.10 ? 227 GLN A C 1 ATOM 1715 O O . GLN A 1 227 ? 69.254 -10.153 -7.431 1.00 81.54 ? 227 GLN A O 1 ATOM 1716 C CB . GLN A 1 227 ? 69.881 -12.501 -5.630 1.00 92.60 ? 227 GLN A CB 1 ATOM 1717 N N . GLU A 1 228 ? 67.133 -10.592 -6.750 1.00 80.58 ? 228 GLU A N 1 ATOM 1718 C CA . GLU A 1 228 ? 66.653 -9.222 -6.929 1.00 76.67 ? 228 GLU A CA 1 ATOM 1719 C C . GLU A 1 228 ? 67.325 -8.282 -5.930 1.00 78.22 ? 228 GLU A C 1 ATOM 1720 O O . GLU A 1 228 ? 67.427 -8.597 -4.731 1.00 81.94 ? 228 GLU A O 1 ATOM 1721 C CB . GLU A 1 228 ? 65.125 -9.142 -6.791 1.00 75.10 ? 228 GLU A CB 1 ATOM 1722 C CG . GLU A 1 228 ? 64.362 -10.136 -7.677 1.00 74.14 ? 228 GLU A CG 1 ATOM 1723 C CD . GLU A 1 228 ? 62.841 -9.984 -7.621 1.00 72.51 ? 228 GLU A CD 1 ATOM 1724 O OE1 . GLU A 1 228 ? 62.153 -10.788 -8.292 1.00 70.66 ? 228 GLU A OE1 1 ATOM 1725 O OE2 . GLU A 1 228 ? 62.338 -9.071 -6.922 1.00 71.34 ? 228 GLU A OE2 1 ATOM 1726 N N . GLN A 1 229 ? 67.792 -7.142 -6.433 1.00 74.94 ? 229 GLN A N 1 ATOM 1727 C CA . GLN A 1 229 ? 68.442 -6.149 -5.591 1.00 76.48 ? 229 GLN A CA 1 ATOM 1728 C C . GLN A 1 229 ? 67.412 -5.217 -4.966 1.00 75.53 ? 229 GLN A C 1 ATOM 1729 O O . GLN A 1 229 ? 66.799 -4.387 -5.650 1.00 72.03 ? 229 GLN A O 1 ATOM 1730 C CB . GLN A 1 229 ? 69.513 -5.374 -6.368 1.00 74.52 ? 229 GLN A CB 1 ATOM 1731 C CG . GLN A 1 229 ? 70.705 -6.225 -6.779 1.00 76.56 ? 229 GLN A CG 1 ATOM 1732 C CD . GLN A 1 229 ? 71.323 -6.956 -5.603 1.00 81.23 ? 229 GLN A CD 1 ATOM 1733 O OE1 . GLN A 1 229 ? 71.101 -8.152 -5.414 1.00 83.30 ? 229 GLN A OE1 1 ATOM 1734 N NE2 . GLN A 1 229 ? 72.077 -6.231 -4.786 1.00 83.22 ? 229 GLN A NE2 1 ATOM 1735 N N . GLN A 1 230 ? 67.247 -5.367 -3.655 1.00 79.34 ? 230 GLN A N 1 ATOM 1736 C CA . GLN A 1 230 ? 66.224 -4.679 -2.873 1.00 79.59 ? 230 GLN A CA 1 ATOM 1737 C C . GLN A 1 230 ? 66.322 -3.150 -2.923 1.00 77.56 ? 230 GLN A C 1 ATOM 1738 O O . GLN A 1 230 ? 65.303 -2.466 -2.788 1.00 75.94 ? 230 GLN A O 1 ATOM 1739 C CB . GLN A 1 230 ? 66.257 -5.174 -1.414 1.00 84.93 ? 230 GLN A CB 1 ATOM 1740 N N . GLY A 1 231 ? 67.538 -2.631 -3.127 1.00 77.84 ? 231 GLY A N 1 ATOM 1741 C CA . GLY A 1 231 ? 67.800 -1.183 -3.184 1.00 76.72 ? 231 GLY A CA 1 ATOM 1742 C C . GLY A 1 231 ? 67.330 -0.454 -4.442 1.00 72.05 ? 231 GLY A C 1 ATOM 1743 O O . GLY A 1 231 ? 67.353 0.782 -4.500 1.00 70.98 ? 231 GLY A O 1 ATOM 1744 N N . THR A 1 232 ? 66.918 -1.218 -5.452 1.00 69.42 ? 232 THR A N 1 ATOM 1745 C CA . THR A 1 232 ? 66.338 -0.661 -6.663 1.00 65.53 ? 232 THR A CA 1 ATOM 1746 C C . THR A 1 232 ? 65.325 0.430 -6.309 1.00 65.23 ? 232 THR A C 1 ATOM 1747 O O . THR A 1 232 ? 64.480 0.251 -5.429 1.00 66.57 ? 232 THR A O 1 ATOM 1748 C CB . THR A 1 232 ? 65.675 -1.757 -7.535 1.00 63.25 ? 232 THR A CB 1 ATOM 1749 O OG1 . THR A 1 232 ? 66.645 -2.757 -7.861 1.00 64.90 ? 232 THR A OG1 1 ATOM 1750 C CG2 . THR A 1 232 ? 65.148 -1.184 -8.821 1.00 58.27 ? 232 THR A CG2 1 ATOM 1751 N N . HIS A 1 233 ? 65.457 1.574 -6.971 1.00 63.87 ? 233 HIS A N 1 ATOM 1752 C CA . HIS A 1 233 ? 64.535 2.675 -6.781 1.00 64.17 ? 233 HIS A CA 1 ATOM 1753 C C . HIS A 1 233 ? 63.976 3.023 -8.142 1.00 60.29 ? 233 HIS A C 1 ATOM 1754 O O . HIS A 1 233 ? 64.671 3.558 -9.001 1.00 58.83 ? 233 HIS A O 1 ATOM 1755 C CB . HIS A 1 233 ? 65.224 3.885 -6.129 1.00 66.73 ? 233 HIS A CB 1 ATOM 1756 C CG . HIS A 1 233 ? 64.271 4.929 -5.617 1.00 69.51 ? 233 HIS A CG 1 ATOM 1757 N ND1 . HIS A 1 233 ? 63.501 5.716 -6.451 1.00 68.07 ? 233 HIS A ND1 1 ATOM 1758 C CD2 . HIS A 1 233 ? 63.979 5.327 -4.354 1.00 74.82 ? 233 HIS A CD2 1 ATOM 1759 C CE1 . HIS A 1 233 ? 62.766 6.541 -5.726 1.00 69.92 ? 233 HIS A CE1 1 ATOM 1760 N NE2 . HIS A 1 233 ? 63.036 6.326 -4.451 1.00 74.20 ? 233 HIS A NE2 1 ATOM 1761 N N . ARG A 1 234 ? 62.714 2.671 -8.329 1.00 59.49 ? 234 ARG A N 1 ATOM 1762 C CA . ARG A 1 234 ? 61.938 3.045 -9.504 1.00 56.49 ? 234 ARG A CA 1 ATOM 1763 C C . ARG A 1 234 ? 61.598 4.534 -9.421 1.00 55.60 ? 234 ARG A C 1 ATOM 1764 O O . ARG A 1 234 ? 61.039 4.991 -8.416 1.00 57.71 ? 234 ARG A O 1 ATOM 1765 C CB . ARG A 1 234 ? 60.676 2.171 -9.540 1.00 56.44 ? 234 ARG A CB 1 ATOM 1766 C CG . ARG A 1 234 ? 59.474 2.696 -10.332 1.00 57.13 ? 234 ARG A CG 1 ATOM 1767 C CD . ARG A 1 234 ? 58.156 2.113 -9.776 1.00 60.99 ? 234 ARG A CD 1 ATOM 1768 N NE . ARG A 1 234 ? 57.402 1.420 -10.819 1.00 61.65 ? 234 ARG A NE 1 ATOM 1769 C CZ . ARG A 1 234 ? 57.695 0.199 -11.272 1.00 63.25 ? 234 ARG A CZ 1 ATOM 1770 N NH1 . ARG A 1 234 ? 58.722 -0.484 -10.768 1.00 65.68 ? 234 ARG A NH1 1 ATOM 1771 N NH2 . ARG A 1 234 ? 56.960 -0.350 -12.230 1.00 62.14 ? 234 ARG A NH2 1 ATOM 1772 N N . GLY A 1 235 ? 61.965 5.288 -10.459 1.00 53.08 ? 235 GLY A N 1 ATOM 1773 C CA . GLY A 1 235 ? 61.564 6.694 -10.582 1.00 52.07 ? 235 GLY A CA 1 ATOM 1774 C C . GLY A 1 235 ? 60.129 6.831 -11.075 1.00 50.15 ? 235 GLY A C 1 ATOM 1775 O O . GLY A 1 235 ? 59.402 5.846 -11.188 1.00 49.61 ? 235 GLY A O 1 ATOM 1776 N N . ASP A 1 236 ? 59.700 8.052 -11.368 1.00 49.26 ? 236 ASP A N 1 ATOM 1777 C CA . ASP A 1 236 ? 58.349 8.247 -11.880 1.00 47.10 ? 236 ASP A CA 1 ATOM 1778 C C . ASP A 1 236 ? 58.260 7.855 -13.356 1.00 43.91 ? 236 ASP A C 1 ATOM 1779 O O . ASP A 1 236 ? 59.269 7.830 -14.065 1.00 42.71 ? 236 ASP A O 1 ATOM 1780 C CB . ASP A 1 236 ? 57.904 9.695 -11.671 1.00 48.19 ? 236 ASP A CB 1 ATOM 1781 C CG . ASP A 1 236 ? 57.849 10.089 -10.193 1.00 53.02 ? 236 ASP A CG 1 ATOM 1782 O OD1 . ASP A 1 236 ? 57.707 9.192 -9.329 1.00 55.21 ? 236 ASP A OD1 1 ATOM 1783 O OD2 . ASP A 1 236 ? 57.948 11.300 -9.890 1.00 55.23 ? 236 ASP A OD2 1 ATOM 1784 N N . PHE A 1 237 ? 57.053 7.531 -13.810 1.00 42.24 ? 237 PHE A N 1 ATOM 1785 C CA . PHE A 1 237 ? 56.802 7.377 -15.239 1.00 39.47 ? 237 PHE A CA 1 ATOM 1786 C C . PHE A 1 237 ? 56.859 8.745 -15.907 1.00 38.48 ? 237 PHE A C 1 ATOM 1787 O O . PHE A 1 237 ? 56.222 9.717 -15.457 1.00 39.22 ? 237 PHE A O 1 ATOM 1788 C CB . PHE A 1 237 ? 55.449 6.722 -15.504 1.00 39.24 ? 237 PHE A CB 1 ATOM 1789 C CG . PHE A 1 237 ? 55.398 5.256 -15.140 1.00 41.62 ? 237 PHE A CG 1 ATOM 1790 C CD1 . PHE A 1 237 ? 55.799 4.283 -16.055 1.00 40.94 ? 237 PHE A CD1 1 ATOM 1791 C CD2 . PHE A 1 237 ? 54.947 4.850 -13.884 1.00 45.69 ? 237 PHE A CD2 1 ATOM 1792 C CE1 . PHE A 1 237 ? 55.749 2.922 -15.721 1.00 43.73 ? 237 PHE A CE1 1 ATOM 1793 C CE2 . PHE A 1 237 ? 54.897 3.484 -13.542 1.00 47.63 ? 237 PHE A CE2 1 ATOM 1794 C CZ . PHE A 1 237 ? 55.293 2.524 -14.465 1.00 45.16 ? 237 PHE A CZ 1 ATOM 1795 N N . LEU A 1 238 ? 57.643 8.819 -16.974 1.00 36.19 ? 238 LEU A N 1 ATOM 1796 C CA . LEU A 1 238 ? 57.841 10.075 -17.669 1.00 35.64 ? 238 LEU A CA 1 ATOM 1797 C C . LEU A 1 238 ? 57.392 9.875 -19.100 1.00 33.44 ? 238 LEU A C 1 ATOM 1798 O O . LEU A 1 238 ? 57.711 8.862 -19.708 1.00 32.83 ? 238 LEU A O 1 ATOM 1799 C CB . LEU A 1 238 ? 59.306 10.546 -17.598 1.00 35.85 ? 238 LEU A CB 1 ATOM 1800 C CG . LEU A 1 238 ? 60.036 10.556 -16.247 1.00 36.89 ? 238 LEU A CG 1 ATOM 1801 C CD1 . LEU A 1 238 ? 61.424 11.199 -16.389 1.00 37.07 ? 238 LEU A CD1 1 ATOM 1802 C CD2 . LEU A 1 238 ? 59.245 11.237 -15.136 1.00 38.40 ? 238 LEU A CD2 1 ATOM 1803 N N . PRO A 1 239 ? 56.608 10.816 -19.624 1.00 33.06 ? 239 PRO A N 1 ATOM 1804 C CA . PRO A 1 239 ? 56.098 10.602 -20.960 1.00 32.02 ? 239 PRO A CA 1 ATOM 1805 C C . PRO A 1 239 ? 57.131 10.895 -22.027 1.00 32.30 ? 239 PRO A C 1 ATOM 1806 O O . PRO A 1 239 ? 57.918 11.842 -21.900 1.00 32.96 ? 239 PRO A O 1 ATOM 1807 C CB . PRO A 1 239 ? 54.972 11.625 -21.067 1.00 32.40 ? 239 PRO A CB 1 ATOM 1808 C CG . PRO A 1 239 ? 55.396 12.739 -20.119 1.00 34.11 ? 239 PRO A CG 1 ATOM 1809 C CD . PRO A 1 239 ? 56.052 12.028 -18.990 1.00 34.16 ? 239 PRO A CD 1 ATOM 1810 N N . ASN A 1 240 ? 57.102 10.086 -23.073 1.00 31.72 ? 240 ASN A N 1 ATOM 1811 C CA . ASN A 1 240 ? 57.705 10.447 -24.333 1.00 33.10 ? 240 ASN A CA 1 ATOM 1812 C C . ASN A 1 240 ? 56.690 11.180 -25.200 1.00 34.46 ? 240 ASN A C 1 ATOM 1813 O O . ASN A 1 240 ? 55.494 11.064 -24.975 1.00 34.96 ? 240 ASN A O 1 ATOM 1814 C CB . ASN A 1 240 ? 58.232 9.190 -25.024 1.00 32.26 ? 240 ASN A CB 1 ATOM 1815 C CG . ASN A 1 240 ? 59.452 8.641 -24.338 1.00 32.81 ? 240 ASN A CG 1 ATOM 1816 O OD1 . ASN A 1 240 ? 60.315 9.400 -23.905 1.00 34.23 ? 240 ASN A OD1 1 ATOM 1817 N ND2 . ASN A 1 240 ? 59.539 7.328 -24.228 1.00 32.27 ? 240 ASN A ND2 1 ATOM 1818 N N . ALA A 1 241 ? 57.164 11.930 -26.192 1.00 36.10 ? 241 ALA A N 1 ATOM 1819 C CA . ALA A 1 241 ? 56.279 12.680 -27.084 1.00 37.84 ? 241 ALA A CA 1 ATOM 1820 C C . ALA A 1 241 ? 55.471 11.816 -28.074 1.00 38.32 ? 241 ALA A C 1 ATOM 1821 O O . ALA A 1 241 ? 54.539 12.304 -28.689 1.00 39.83 ? 241 ALA A O 1 ATOM 1822 C CB . ALA A 1 241 ? 57.067 13.748 -27.835 1.00 38.40 ? 241 ALA A CB 1 ATOM 1823 N N . ASP A 1 242 ? 55.828 10.547 -28.232 1.00 38.74 ? 242 ASP A N 1 ATOM 1824 C CA . ASP A 1 242 ? 55.121 9.652 -29.159 1.00 39.89 ? 242 ASP A CA 1 ATOM 1825 C C . ASP A 1 242 ? 54.134 8.752 -28.410 1.00 39.48 ? 242 ASP A C 1 ATOM 1826 O O . ASP A 1 242 ? 53.820 7.654 -28.852 1.00 40.04 ? 242 ASP A O 1 ATOM 1827 C CB . ASP A 1 242 ? 56.116 8.798 -29.953 1.00 39.90 ? 242 ASP A CB 1 ATOM 1828 C CG . ASP A 1 242 ? 56.956 7.885 -29.059 1.00 39.82 ? 242 ASP A CG 1 ATOM 1829 O OD1 . ASP A 1 242 ? 56.913 8.036 -27.821 1.00 37.31 ? 242 ASP A OD1 1 ATOM 1830 O OD2 . ASP A 1 242 ? 57.666 7.013 -29.604 1.00 40.82 ? 242 ASP A OD2 1 ATOM 1831 N N . GLU A 1 243 ? 53.662 9.222 -27.259 1.00 39.35 ? 243 GLU A N 1 ATOM 1832 C CA . GLU A 1 243 ? 52.713 8.472 -26.432 1.00 38.45 ? 243 GLU A CA 1 ATOM 1833 C C . GLU A 1 243 ? 53.223 7.078 -26.003 1.00 37.27 ? 243 GLU A C 1 ATOM 1834 O O . GLU A 1 243 ? 52.468 6.098 -25.898 1.00 37.61 ? 243 GLU A O 1 ATOM 1835 C CB . GLU A 1 243 ? 51.300 8.500 -27.066 1.00 39.81 ? 243 GLU A CB 1 ATOM 1836 C CG . GLU A 1 243 ? 50.749 9.959 -27.166 1.00 42.16 ? 243 GLU A CG 1 ATOM 1837 C CD . GLU A 1 243 ? 49.216 10.080 -27.264 1.00 46.57 ? 243 GLU A CD 1 ATOM 1838 O OE1 . GLU A 1 243 ? 48.592 10.847 -26.437 1.00 45.48 ? 243 GLU A OE1 1 ATOM 1839 O OE2 . GLU A 1 243 ? 48.661 9.433 -28.182 1.00 45.24 ? 243 GLU A OE2 1 ATOM 1840 N N . THR A 1 244 ? 54.524 7.007 -25.746 1.00 35.66 ? 244 THR A N 1 ATOM 1841 C CA . THR A 1 244 ? 55.097 5.904 -24.996 1.00 34.30 ? 244 THR A CA 1 ATOM 1842 C C . THR A 1 244 ? 55.629 6.461 -23.681 1.00 34.30 ? 244 THR A C 1 ATOM 1843 O O . THR A 1 244 ? 55.555 7.661 -23.406 1.00 33.46 ? 244 THR A O 1 ATOM 1844 C CB . THR A 1 244 ? 56.238 5.189 -25.749 1.00 34.83 ? 244 THR A CB 1 ATOM 1845 O OG1 . THR A 1 244 ? 57.325 6.099 -25.957 1.00 32.84 ? 244 THR A OG1 1 ATOM 1846 C CG2 . THR A 1 244 ? 55.765 4.604 -27.104 1.00 34.45 ? 244 THR A CG2 1 ATOM 1847 N N . TRP A 1 245 ? 56.178 5.569 -22.880 1.00 34.46 ? 245 TRP A N 1 ATOM 1848 C CA . TRP A 1 245 ? 56.595 5.893 -21.533 1.00 35.69 ? 245 TRP A CA 1 ATOM 1849 C C . TRP A 1 245 ? 58.104 5.710 -21.312 1.00 36.10 ? 245 TRP A C 1 ATOM 1850 O O . TRP A 1 245 ? 58.749 4.857 -21.939 1.00 36.14 ? 245 TRP A O 1 ATOM 1851 C CB . TRP A 1 245 ? 55.807 5.031 -20.542 1.00 35.57 ? 245 TRP A CB 1 ATOM 1852 C CG . TRP A 1 245 ? 54.397 5.451 -20.447 1.00 36.58 ? 245 TRP A CG 1 ATOM 1853 C CD1 . TRP A 1 245 ? 53.309 4.800 -20.957 1.00 37.27 ? 245 TRP A CD1 1 ATOM 1854 C CD2 . TRP A 1 245 ? 53.901 6.632 -19.809 1.00 37.45 ? 245 TRP A CD2 1 ATOM 1855 N NE1 . TRP A 1 245 ? 52.162 5.500 -20.674 1.00 37.32 ? 245 TRP A NE1 1 ATOM 1856 C CE2 . TRP A 1 245 ? 52.494 6.632 -19.969 1.00 38.79 ? 245 TRP A CE2 1 ATOM 1857 C CE3 . TRP A 1 245 ? 54.508 7.687 -19.102 1.00 37.70 ? 245 TRP A CE3 1 ATOM 1858 C CZ2 . TRP A 1 245 ? 51.673 7.656 -19.448 1.00 39.37 ? 245 TRP A CZ2 1 ATOM 1859 C CZ3 . TRP A 1 245 ? 53.701 8.705 -18.589 1.00 39.35 ? 245 TRP A CZ3 1 ATOM 1860 C CH2 . TRP A 1 245 ? 52.293 8.684 -18.772 1.00 40.82 ? 245 TRP A CH2 1 ATOM 1861 N N . TYR A 1 246 ? 58.636 6.516 -20.404 1.00 36.27 ? 246 TYR A N 1 ATOM 1862 C CA . TYR A 1 246 ? 60.001 6.412 -19.977 1.00 37.41 ? 246 TYR A CA 1 ATOM 1863 C C . TYR A 1 246 ? 60.024 6.152 -18.472 1.00 38.54 ? 246 TYR A C 1 ATOM 1864 O O . TYR A 1 246 ? 59.258 6.768 -17.723 1.00 39.22 ? 246 TYR A O 1 ATOM 1865 C CB . TYR A 1 246 ? 60.728 7.720 -20.294 1.00 37.88 ? 246 TYR A CB 1 ATOM 1866 C CG . TYR A 1 246 ? 62.161 7.795 -19.822 1.00 40.13 ? 246 TYR A CG 1 ATOM 1867 C CD1 . TYR A 1 246 ? 63.220 7.446 -20.669 1.00 41.50 ? 246 TYR A CD1 1 ATOM 1868 C CD2 . TYR A 1 246 ? 62.462 8.231 -18.532 1.00 41.13 ? 246 TYR A CD2 1 ATOM 1869 C CE1 . TYR A 1 246 ? 64.550 7.538 -20.230 1.00 45.14 ? 246 TYR A CE1 1 ATOM 1870 C CE2 . TYR A 1 246 ? 63.769 8.312 -18.087 1.00 45.24 ? 246 TYR A CE2 1 ATOM 1871 C CZ . TYR A 1 246 ? 64.806 7.974 -18.932 1.00 45.60 ? 246 TYR A CZ 1 ATOM 1872 O OH . TYR A 1 246 ? 66.081 8.072 -18.462 1.00 49.32 ? 246 TYR A OH 1 ATOM 1873 N N . LEU A 1 247 ? 60.926 5.275 -18.037 1.00 39.13 ? 247 LEU A N 1 ATOM 1874 C CA . LEU A 1 247 ? 61.127 4.997 -16.623 1.00 41.34 ? 247 LEU A CA 1 ATOM 1875 C C . LEU A 1 247 ? 62.572 4.614 -16.381 1.00 43.00 ? 247 LEU A C 1 ATOM 1876 O O . LEU A 1 247 ? 63.155 3.843 -17.169 1.00 43.36 ? 247 LEU A O 1 ATOM 1877 C CB . LEU A 1 247 ? 60.222 3.841 -16.177 1.00 41.58 ? 247 LEU A CB 1 ATOM 1878 C CG . LEU A 1 247 ? 60.167 3.438 -14.697 1.00 45.23 ? 247 LEU A CG 1 ATOM 1879 C CD1 . LEU A 1 247 ? 59.415 4.477 -13.886 1.00 47.48 ? 247 LEU A CD1 1 ATOM 1880 C CD2 . LEU A 1 247 ? 59.507 2.077 -14.508 1.00 45.43 ? 247 LEU A CD2 1 ATOM 1881 N N . GLN A 1 248 ? 63.154 5.131 -15.295 1.00 44.51 ? 248 GLN A N 1 ATOM 1882 C CA . GLN A 1 248 ? 64.455 4.635 -14.836 1.00 46.18 ? 248 GLN A CA 1 ATOM 1883 C C . GLN A 1 248 ? 64.427 4.001 -13.429 1.00 47.95 ? 248 GLN A C 1 ATOM 1884 O O . GLN A 1 248 ? 63.587 4.354 -12.587 1.00 48.43 ? 248 GLN A O 1 ATOM 1885 C CB . GLN A 1 248 ? 65.560 5.696 -14.975 1.00 47.10 ? 248 GLN A CB 1 ATOM 1886 C CG . GLN A 1 248 ? 65.310 7.000 -14.265 1.00 49.81 ? 248 GLN A CG 1 ATOM 1887 C CD . GLN A 1 248 ? 66.401 8.030 -14.541 1.00 54.93 ? 248 GLN A CD 1 ATOM 1888 O OE1 . GLN A 1 248 ? 66.597 8.482 -15.687 1.00 54.60 ? 248 GLN A OE1 1 ATOM 1889 N NE2 . GLN A 1 248 ? 67.120 8.411 -13.486 1.00 56.53 ? 248 GLN A NE2 1 ATOM 1890 N N . ALA A 1 249 ? 65.329 3.042 -13.209 1.00 48.66 ? 249 ALA A N 1 ATOM 1891 C CA . ALA A 1 249 ? 65.515 2.408 -11.905 1.00 50.86 ? 249 ALA A CA 1 ATOM 1892 C C . ALA A 1 249 ? 66.965 2.496 -11.506 1.00 52.72 ? 249 ALA A C 1 ATOM 1893 O O . ALA A 1 249 ? 67.839 2.004 -12.220 1.00 53.09 ? 249 ALA A O 1 ATOM 1894 C CB . ALA A 1 249 ? 65.076 0.950 -11.938 1.00 51.13 ? 249 ALA A CB 1 ATOM 1895 N N . THR A 1 250 ? 67.218 3.116 -10.359 1.00 54.66 ? 250 THR A N 1 ATOM 1896 C CA . THR A 1 250 ? 68.580 3.296 -9.855 1.00 56.70 ? 250 THR A CA 1 ATOM 1897 C C . THR A 1 250 ? 68.968 2.263 -8.784 1.00 59.63 ? 250 THR A C 1 ATOM 1898 O O . THR A 1 250 ? 68.117 1.749 -8.061 1.00 60.11 ? 250 THR A O 1 ATOM 1899 C CB . THR A 1 250 ? 68.786 4.728 -9.307 1.00 57.85 ? 250 THR A CB 1 ATOM 1900 O OG1 . THR A 1 250 ? 67.998 4.904 -8.126 1.00 59.06 ? 250 THR A OG1 1 ATOM 1901 C CG2 . THR A 1 250 ? 68.377 5.781 -10.355 1.00 54.51 ? 250 THR A CG2 1 ATOM 1902 N N . LEU A 1 251 ? 70.259 1.960 -8.702 1.00 61.50 ? 251 LEU A N 1 ATOM 1903 C CA . LEU A 1 251 ? 70.787 1.111 -7.639 1.00 65.24 ? 251 LEU A CA 1 ATOM 1904 C C . LEU A 1 251 ? 72.036 1.757 -7.067 1.00 68.77 ? 251 LEU A C 1 ATOM 1905 O O . LEU A 1 251 ? 73.014 1.972 -7.789 1.00 68.30 ? 251 LEU A O 1 ATOM 1906 C CB . LEU A 1 251 ? 71.093 -0.302 -8.148 1.00 65.02 ? 251 LEU A CB 1 ATOM 1907 C CG . LEU A 1 251 ? 71.476 -1.361 -7.099 1.00 68.09 ? 251 LEU A CG 1 ATOM 1908 C CD1 . LEU A 1 251 ? 70.350 -1.632 -6.121 1.00 67.46 ? 251 LEU A CD1 1 ATOM 1909 C CD2 . LEU A 1 251 ? 71.943 -2.659 -7.756 1.00 66.40 ? 251 LEU A CD2 1 ATOM 1910 N N . ASP A 1 252 ? 71.986 2.084 -5.777 1.00 72.29 ? 252 ASP A N 1 ATOM 1911 C CA . ASP A 1 252 ? 73.096 2.746 -5.110 1.00 76.41 ? 252 ASP A CA 1 ATOM 1912 C C . ASP A 1 252 ? 74.078 1.680 -4.632 1.00 80.79 ? 252 ASP A C 1 ATOM 1913 O O . ASP A 1 252 ? 73.796 0.953 -3.678 1.00 83.69 ? 252 ASP A O 1 ATOM 1914 C CB . ASP A 1 252 ? 72.590 3.610 -3.952 1.00 78.28 ? 252 ASP A CB 1 ATOM 1915 N N . VAL A 1 253 ? 75.222 1.578 -5.310 1.00 81.90 ? 253 VAL A N 1 ATOM 1916 C CA . VAL A 1 253 ? 76.184 0.488 -5.058 1.00 86.14 ? 253 VAL A CA 1 ATOM 1917 C C . VAL A 1 253 ? 77.586 0.976 -4.670 1.00 90.39 ? 253 VAL A C 1 ATOM 1918 O O . VAL A 1 253 ? 77.948 2.124 -4.928 1.00 89.98 ? 253 VAL A O 1 ATOM 1919 C CB . VAL A 1 253 ? 76.286 -0.489 -6.274 1.00 83.99 ? 253 VAL A CB 1 ATOM 1920 C CG1 . VAL A 1 253 ? 74.910 -0.812 -6.815 1.00 79.80 ? 253 VAL A CG1 1 ATOM 1921 C CG2 . VAL A 1 253 ? 77.152 0.093 -7.388 1.00 82.74 ? 253 VAL A CG2 1 ATOM 1922 N N . GLU A 1 254 ? 78.371 0.100 -4.046 1.00 95.36 ? 254 GLU A N 1 ATOM 1923 C CA . GLU A 1 254 ? 79.781 0.391 -3.798 1.00 99.79 ? 254 GLU A CA 1 ATOM 1924 C C . GLU A 1 254 ? 80.592 0.196 -5.081 1.00 98.74 ? 254 GLU A C 1 ATOM 1925 O O . GLU A 1 254 ? 80.365 -0.760 -5.833 1.00 96.99 ? 254 GLU A O 1 ATOM 1926 C CB . GLU A 1 254 ? 80.329 -0.498 -2.680 1.00 20.00 ? 254 GLU A CB 1 ATOM 1927 N N . ALA A 1 255 ? 81.528 1.114 -5.324 1.00 100.24 ? 255 ALA A N 1 ATOM 1928 C CA . ALA A 1 255 ? 82.419 1.044 -6.483 1.00 99.96 ? 255 ALA A CA 1 ATOM 1929 C C . ALA A 1 255 ? 83.232 -0.259 -6.482 1.00 103.54 ? 255 ALA A C 1 ATOM 1930 O O . ALA A 1 255 ? 83.774 -0.664 -5.451 1.00 107.84 ? 255 ALA A O 1 ATOM 1931 C CB . ALA A 1 255 ? 83.336 2.264 -6.521 1.00 101.59 ? 255 ALA A CB 1 ATOM 1932 N N . GLY A 1 256 ? 83.281 -0.916 -7.641 1.00 101.82 ? 256 GLY A N 1 ATOM 1933 C CA . GLY A 1 256 ? 83.965 -2.200 -7.793 1.00 105.13 ? 256 GLY A CA 1 ATOM 1934 C C . GLY A 1 256 ? 83.023 -3.396 -7.800 1.00 103.92 ? 256 GLY A C 1 ATOM 1935 O O . GLY A 1 256 ? 83.418 -4.501 -8.179 1.00 105.97 ? 256 GLY A O 1 ATOM 1936 N N . GLU A 1 257 ? 81.777 -3.176 -7.384 1.00 100.78 ? 257 GLU A N 1 ATOM 1937 C CA . GLU A 1 257 ? 80.801 -4.259 -7.236 1.00 99.77 ? 257 GLU A CA 1 ATOM 1938 C C . GLU A 1 257 ? 79.740 -4.267 -8.338 1.00 94.26 ? 257 GLU A C 1 ATOM 1939 O O . GLU A 1 257 ? 78.691 -4.898 -8.196 1.00 92.64 ? 257 GLU A O 1 ATOM 1940 C CB . GLU A 1 257 ? 80.137 -4.195 -5.857 1.00 101.34 ? 257 GLU A CB 1 ATOM 1941 C CG . GLU A 1 257 ? 81.064 -4.593 -4.707 1.00 108.06 ? 257 GLU A CG 1 ATOM 1942 C CD . GLU A 1 257 ? 80.320 -4.857 -3.407 1.00 110.24 ? 257 GLU A CD 1 ATOM 1943 O OE1 . GLU A 1 257 ? 79.154 -4.408 -3.285 1.00 106.02 ? 257 GLU A OE1 1 ATOM 1944 O OE2 . GLU A 1 257 ? 80.908 -5.515 -2.514 1.00 114.69 ? 257 GLU A OE2 1 ATOM 1945 N N . GLU A 1 258 ? 80.035 -3.576 -9.437 1.00 91.64 ? 258 GLU A N 1 ATOM 1946 C CA . GLU A 1 258 ? 79.142 -3.501 -10.588 1.00 86.81 ? 258 GLU A CA 1 ATOM 1947 C C . GLU A 1 258 ? 79.049 -4.825 -11.354 1.00 86.78 ? 258 GLU A C 1 ATOM 1948 O O . GLU A 1 258 ? 77.951 -5.269 -11.691 1.00 84.23 ? 258 GLU A O 1 ATOM 1949 C CB . GLU A 1 258 ? 79.564 -2.375 -11.538 1.00 84.88 ? 258 GLU A CB 1 ATOM 1950 C CG . GLU A 1 258 ? 79.679 -0.998 -10.901 1.00 85.60 ? 258 GLU A CG 1 ATOM 1951 C CD . GLU A 1 258 ? 81.114 -0.504 -10.769 1.00 89.98 ? 258 GLU A CD 1 ATOM 1952 O OE1 . GLU A 1 258 ? 82.057 -1.326 -10.675 1.00 94.01 ? 258 GLU A OE1 1 ATOM 1953 O OE2 . GLU A 1 258 ? 81.294 0.732 -10.762 1.00 90.42 ? 258 GLU A OE2 1 ATOM 1954 N N . ALA A 1 259 ? 80.193 -5.448 -11.633 1.00 89.87 ? 259 ALA A N 1 ATOM 1955 C CA . ALA A 1 259 ? 80.227 -6.711 -12.376 1.00 90.48 ? 259 ALA A CA 1 ATOM 1956 C C . ALA A 1 259 ? 79.261 -7.744 -11.787 1.00 90.32 ? 259 ALA A C 1 ATOM 1957 O O . ALA A 1 259 ? 79.176 -7.901 -10.565 1.00 92.71 ? 259 ALA A O 1 ATOM 1958 N N . GLY A 1 260 ? 78.532 -8.439 -12.658 1.00 87.85 ? 260 GLY A N 1 ATOM 1959 C CA . GLY A 1 260 ? 77.553 -9.436 -12.224 1.00 87.39 ? 260 GLY A CA 1 ATOM 1960 C C . GLY A 1 260 ? 76.148 -8.873 -12.057 1.00 82.56 ? 260 GLY A C 1 ATOM 1961 O O . GLY A 1 260 ? 75.181 -9.630 -11.928 1.00 82.21 ? 260 GLY A O 1 ATOM 1962 N N . LEU A 1 261 ? 76.031 -7.549 -12.049 1.00 79.25 ? 261 LEU A N 1 ATOM 1963 C CA . LEU A 1 261 ? 74.719 -6.901 -11.968 1.00 74.83 ? 261 LEU A CA 1 ATOM 1964 C C . LEU A 1 261 ? 74.055 -6.784 -13.326 1.00 70.91 ? 261 LEU A C 1 ATOM 1965 O O . LEU A 1 261 ? 74.691 -6.440 -14.321 1.00 70.33 ? 261 LEU A O 1 ATOM 1966 C CB . LEU A 1 261 ? 74.805 -5.512 -11.327 1.00 73.63 ? 261 LEU A CB 1 ATOM 1967 C CG . LEU A 1 261 ? 74.985 -5.420 -9.809 1.00 76.76 ? 261 LEU A CG 1 ATOM 1968 C CD1 . LEU A 1 261 ? 75.152 -3.971 -9.390 1.00 75.63 ? 261 LEU A CD1 1 ATOM 1969 C CD2 . LEU A 1 261 ? 73.822 -6.057 -9.062 1.00 77.53 ? 261 LEU A CD2 1 ATOM 1970 N N . ALA A 1 262 ? 72.759 -7.064 -13.352 1.00 68.83 ? 262 ALA A N 1 ATOM 1971 C CA . ALA A 1 262 ? 71.959 -6.912 -14.557 1.00 65.30 ? 262 ALA A CA 1 ATOM 1972 C C . ALA A 1 262 ? 70.682 -6.122 -14.268 1.00 62.17 ? 262 ALA A C 1 ATOM 1973 O O . ALA A 1 262 ? 70.182 -6.113 -13.138 1.00 62.57 ? 262 ALA A O 1 ATOM 1974 C CB . ALA A 1 262 ? 71.634 -8.273 -15.155 1.00 65.93 ? 262 ALA A CB 1 ATOM 1975 N N . CYS A 1 263 ? 70.178 -5.437 -15.290 1.00 59.10 ? 263 CYS A N 1 ATOM 1976 C CA . CYS A 1 263 ? 68.870 -4.820 -15.216 1.00 56.77 ? 263 CYS A CA 1 ATOM 1977 C C . CYS A 1 263 ? 67.906 -5.677 -16.003 1.00 55.38 ? 263 CYS A C 1 ATOM 1978 O O . CYS A 1 263 ? 68.074 -5.859 -17.213 1.00 55.06 ? 263 CYS A O 1 ATOM 1979 C CB . CYS A 1 263 ? 68.887 -3.419 -15.802 1.00 54.19 ? 263 CYS A CB 1 ATOM 1980 S SG . CYS A 1 263 ? 67.250 -2.681 -15.761 1.00 55.22 ? 263 CYS A SG 1 ATOM 1981 N N . ARG A 1 264 ? 66.904 -6.210 -15.311 1.00 55.36 ? 264 ARG A N 1 ATOM 1982 C CA . ARG A 1 264 ? 65.852 -6.974 -15.961 1.00 54.04 ? 264 ARG A CA 1 ATOM 1983 C C . ARG A 1 264 ? 64.548 -6.173 -16.109 1.00 50.74 ? 264 ARG A C 1 ATOM 1984 O O . ARG A 1 264 ? 64.048 -5.561 -15.152 1.00 49.94 ? 264 ARG A O 1 ATOM 1985 C CB . ARG A 1 264 ? 65.599 -8.270 -15.216 1.00 56.94 ? 264 ARG A CB 1 ATOM 1986 C CG . ARG A 1 264 ? 64.693 -9.233 -15.966 1.00 58.49 ? 264 ARG A CG 1 ATOM 1987 C CD . ARG A 1 264 ? 64.957 -10.690 -15.545 1.00 66.09 ? 264 ARG A CD 1 ATOM 1988 N NE . ARG A 1 264 ? 64.322 -11.622 -16.473 1.00 68.75 ? 264 ARG A NE 1 ATOM 1989 C CZ . ARG A 1 264 ? 64.676 -12.890 -16.653 1.00 72.64 ? 264 ARG A CZ 1 ATOM 1990 N NH1 . ARG A 1 264 ? 65.687 -13.412 -15.967 1.00 75.60 ? 264 ARG A NH1 1 ATOM 1991 N NH2 . ARG A 1 264 ? 64.006 -13.633 -17.529 1.00 73.14 ? 264 ARG A NH2 1 ATOM 1992 N N . VAL A 1 265 ? 64.012 -6.201 -17.326 1.00 48.29 ? 265 VAL A N 1 ATOM 1993 C CA . VAL A 1 265 ? 62.772 -5.528 -17.651 1.00 45.38 ? 265 VAL A CA 1 ATOM 1994 C C . VAL A 1 265 ? 61.733 -6.553 -18.109 1.00 45.31 ? 265 VAL A C 1 ATOM 1995 O O . VAL A 1 265 ? 62.011 -7.356 -19.003 1.00 46.45 ? 265 VAL A O 1 ATOM 1996 C CB . VAL A 1 265 ? 63.001 -4.484 -18.753 1.00 43.23 ? 265 VAL A CB 1 ATOM 1997 C CG1 . VAL A 1 265 ? 61.720 -3.708 -19.038 1.00 41.09 ? 265 VAL A CG1 1 ATOM 1998 C CG2 . VAL A 1 265 ? 64.113 -3.536 -18.343 1.00 42.99 ? 265 VAL A CG2 1 ATOM 1999 N N . LYS A 1 266 ? 60.564 -6.538 -17.472 1.00 43.98 ? 266 LYS A N 1 ATOM 2000 C CA . LYS A 1 266 ? 59.414 -7.297 -17.941 1.00 44.13 ? 266 LYS A CA 1 ATOM 2001 C C . LYS A 1 266 ? 58.347 -6.335 -18.438 1.00 42.17 ? 266 LYS A C 1 ATOM 2002 O O . LYS A 1 266 ? 57.998 -5.365 -17.755 1.00 41.72 ? 266 LYS A O 1 ATOM 2003 C CB . LYS A 1 266 ? 58.819 -8.180 -16.837 1.00 46.40 ? 266 LYS A CB 1 ATOM 2004 C CG . LYS A 1 266 ? 59.783 -9.181 -16.223 1.00 47.89 ? 266 LYS A CG 1 ATOM 2005 C CD . LYS A 1 266 ? 59.148 -9.901 -15.046 1.00 50.02 ? 266 LYS A CD 1 ATOM 2006 C CE . LYS A 1 266 ? 60.147 -10.861 -14.406 1.00 54.67 ? 266 LYS A CE 1 ATOM 2007 N NZ . LYS A 1 266 ? 60.362 -12.124 -15.188 1.00 54.34 ? 266 LYS A NZ 1 ATOM 2008 N N . HIS A 1 267 ? 57.846 -6.595 -19.641 1.00 41.52 ? 267 HIS A N 1 ATOM 2009 C CA . HIS A 1 267 ? 56.764 -5.801 -20.213 1.00 39.61 ? 267 HIS A CA 1 ATOM 2010 C C . HIS A 1 267 ? 55.889 -6.692 -21.074 1.00 40.25 ? 267 HIS A C 1 ATOM 2011 O O . HIS A 1 267 ? 56.382 -7.653 -21.664 1.00 41.32 ? 267 HIS A O 1 ATOM 2012 C CB . HIS A 1 267 ? 57.298 -4.634 -21.058 1.00 37.81 ? 267 HIS A CB 1 ATOM 2013 C CG . HIS A 1 267 ? 56.226 -3.678 -21.487 1.00 35.64 ? 267 HIS A CG 1 ATOM 2014 N ND1 . HIS A 1 267 ? 55.766 -3.611 -22.781 1.00 35.59 ? 267 HIS A ND1 1 ATOM 2015 C CD2 . HIS A 1 267 ? 55.496 -2.780 -20.784 1.00 33.54 ? 267 HIS A CD2 1 ATOM 2016 C CE1 . HIS A 1 267 ? 54.816 -2.695 -22.866 1.00 33.10 ? 267 HIS A CE1 1 ATOM 2017 N NE2 . HIS A 1 267 ? 54.628 -2.180 -21.665 1.00 32.74 ? 267 HIS A NE2 1 ATOM 2018 N N . SER A 1 268 ? 54.604 -6.343 -21.159 1.00 39.47 ? 268 SER A N 1 ATOM 2019 C CA . SER A 1 268 ? 53.610 -7.129 -21.892 1.00 40.17 ? 268 SER A CA 1 ATOM 2020 C C . SER A 1 268 ? 53.955 -7.271 -23.374 1.00 39.78 ? 268 SER A C 1 ATOM 2021 O O . SER A 1 268 ? 53.578 -8.258 -24.007 1.00 40.57 ? 268 SER A O 1 ATOM 2022 C CB . SER A 1 268 ? 52.213 -6.485 -21.744 1.00 39.35 ? 268 SER A CB 1 ATOM 2023 O OG . SER A 1 268 ? 52.266 -5.086 -22.012 1.00 39.18 ? 268 SER A OG 1 ATOM 2024 N N . SER A 1 269 ? 54.660 -6.272 -23.922 1.00 38.33 ? 269 SER A N 1 ATOM 2025 C CA . SER A 1 269 ? 55.014 -6.240 -25.341 1.00 38.58 ? 269 SER A CA 1 ATOM 2026 C C . SER A 1 269 ? 56.072 -7.267 -25.748 1.00 41.29 ? 269 SER A C 1 ATOM 2027 O O . SER A 1 269 ? 56.240 -7.532 -26.939 1.00 41.85 ? 269 SER A O 1 ATOM 2028 C CB . SER A 1 269 ? 55.507 -4.845 -25.733 1.00 36.80 ? 269 SER A CB 1 ATOM 2029 O OG . SER A 1 269 ? 56.653 -4.509 -24.975 1.00 35.49 ? 269 SER A OG 1 ATOM 2030 N N . LEU A 1 270 ? 56.773 -7.829 -24.759 1.00 43.13 ? 270 LEU A N 1 ATOM 2031 C CA . LEU A 1 270 ? 57.929 -8.700 -24.996 1.00 46.09 ? 270 LEU A CA 1 ATOM 2032 C C . LEU A 1 270 ? 57.593 -10.185 -25.059 1.00 49.23 ? 270 LEU A C 1 ATOM 2033 O O . LEU A 1 270 ? 58.439 -11.002 -25.456 1.00 51.83 ? 270 LEU A O 1 ATOM 2034 C CB . LEU A 1 270 ? 59.018 -8.446 -23.945 1.00 46.10 ? 270 LEU A CB 1 ATOM 2035 C CG . LEU A 1 270 ? 59.563 -7.010 -23.838 1.00 45.22 ? 270 LEU A CG 1 ATOM 2036 C CD1 . LEU A 1 270 ? 60.425 -6.899 -22.580 1.00 47.32 ? 270 LEU A CD1 1 ATOM 2037 C CD2 . LEU A 1 270 ? 60.361 -6.562 -25.093 1.00 45.46 ? 270 LEU A CD2 1 ATOM 2038 N N . GLY A 1 271 ? 56.363 -10.541 -24.677 1.00 49.88 ? 271 GLY A N 1 ATOM 2039 C CA . GLY A 1 271 ? 55.918 -11.936 -24.735 1.00 52.01 ? 271 GLY A CA 1 ATOM 2040 C C . GLY A 1 271 ? 56.828 -12.863 -23.955 1.00 54.60 ? 271 GLY A C 1 ATOM 2041 O O . GLY A 1 271 ? 57.249 -13.914 -24.470 1.00 57.50 ? 271 GLY A O 1 ATOM 2042 N N . GLY A 1 272 ? 57.151 -12.475 -22.724 1.00 53.94 ? 272 GLY A N 1 ATOM 2043 C CA . GLY A 1 272 ? 57.974 -13.308 -21.837 1.00 57.25 ? 272 GLY A CA 1 ATOM 2044 C C . GLY A 1 272 ? 59.441 -13.413 -22.226 1.00 58.82 ? 272 GLY A C 1 ATOM 2045 O O . GLY A 1 272 ? 60.179 -14.215 -21.658 1.00 61.13 ? 272 GLY A O 1 ATOM 2046 N N . GLN A 1 273 ? 59.859 -12.605 -23.201 1.00 57.43 ? 273 GLN A N 1 ATOM 2047 C CA . GLN A 1 273 ? 61.273 -12.476 -23.547 1.00 58.74 ? 273 GLN A CA 1 ATOM 2048 C C . GLN A 1 273 ? 61.804 -11.226 -22.850 1.00 56.29 ? 273 GLN A C 1 ATOM 2049 O O . GLN A 1 273 ? 61.971 -10.194 -23.482 1.00 54.17 ? 273 GLN A O 1 ATOM 2050 C CB . GLN A 1 273 ? 61.468 -12.362 -25.072 1.00 58.92 ? 273 GLN A CB 1 ATOM 2051 C CG . GLN A 1 273 ? 61.151 -13.631 -25.875 1.00 62.74 ? 273 GLN A CG 1 ATOM 2052 C CD . GLN A 1 273 ? 62.071 -14.798 -25.531 1.00 68.63 ? 273 GLN A CD 1 ATOM 2053 O OE1 . GLN A 1 273 ? 61.615 -15.936 -25.371 1.00 71.61 ? 273 GLN A OE1 1 ATOM 2054 N NE2 . GLN A 1 273 ? 63.377 -14.520 -25.408 1.00 69.55 ? 273 GLN A NE2 1 ATOM 2055 N N . ASP A 1 274 ? 62.053 -11.324 -21.545 1.00 57.15 ? 274 ASP A N 1 ATOM 2056 C CA . ASP A 1 274 ? 62.497 -10.176 -20.751 1.00 55.70 ? 274 ASP A CA 1 ATOM 2057 C C . ASP A 1 274 ? 63.780 -9.573 -21.314 1.00 55.69 ? 274 ASP A C 1 ATOM 2058 O O . ASP A 1 274 ? 64.618 -10.279 -21.858 1.00 57.70 ? 274 ASP A O 1 ATOM 2059 C CB . ASP A 1 274 ? 62.765 -10.574 -19.296 1.00 57.50 ? 274 ASP A CB 1 ATOM 2060 C CG . ASP A 1 274 ? 61.532 -11.134 -18.579 1.00 58.70 ? 274 ASP A CG 1 ATOM 2061 O OD1 . ASP A 1 274 ? 60.378 -10.963 -19.045 1.00 56.66 ? 274 ASP A OD1 1 ATOM 2062 O OD2 . ASP A 1 274 ? 61.736 -11.745 -17.509 1.00 61.39 ? 274 ASP A OD2 1 ATOM 2063 N N . ILE A 1 275 ? 63.919 -8.260 -21.186 1.00 53.90 ? 275 ILE A N 1 ATOM 2064 C CA . ILE A 1 275 ? 65.190 -7.618 -21.454 1.00 54.23 ? 275 ILE A CA 1 ATOM 2065 C C . ILE A 1 275 ? 66.073 -7.840 -20.239 1.00 56.58 ? 275 ILE A C 1 ATOM 2066 O O . ILE A 1 275 ? 65.656 -7.650 -19.084 1.00 55.92 ? 275 ILE A O 1 ATOM 2067 C CB . ILE A 1 275 ? 65.045 -6.121 -21.759 1.00 51.38 ? 275 ILE A CB 1 ATOM 2068 C CG1 . ILE A 1 275 ? 64.389 -5.930 -23.134 1.00 49.35 ? 275 ILE A CG1 1 ATOM 2069 C CG2 . ILE A 1 275 ? 66.420 -5.433 -21.697 1.00 52.60 ? 275 ILE A CG2 1 ATOM 2070 C CD1 . ILE A 1 275 ? 63.888 -4.522 -23.415 1.00 46.14 ? 275 ILE A CD1 1 ATOM 2071 N N . ILE A 1 276 ? 67.284 -8.295 -20.524 1.00 59.31 ? 276 ILE A N 1 ATOM 2072 C CA . ILE A 1 276 ? 68.274 -8.541 -19.509 1.00 62.28 ? 276 ILE A CA 1 ATOM 2073 C C . ILE A 1 276 ? 69.594 -7.913 -19.983 1.00 62.83 ? 276 ILE A C 1 ATOM 2074 O O . ILE A 1 276 ? 70.247 -8.390 -20.916 1.00 64.21 ? 276 ILE A O 1 ATOM 2075 C CB . ILE A 1 276 ? 68.364 -10.062 -19.162 1.00 66.07 ? 276 ILE A CB 1 ATOM 2076 C CG1 . ILE A 1 276 ? 69.328 -10.308 -17.995 1.00 69.77 ? 276 ILE A CG1 1 ATOM 2077 C CG2 . ILE A 1 276 ? 68.709 -10.920 -20.394 1.00 68.57 ? 276 ILE A CG2 1 ATOM 2078 C CD1 . ILE A 1 276 ? 68.681 -10.123 -16.633 1.00 71.97 ? 276 ILE A CD1 1 ATOM 2079 N N . LEU A 1 277 ? 69.946 -6.803 -19.353 1.00 61.56 ? 277 LEU A N 1 ATOM 2080 C CA . LEU A 1 277 ? 71.112 -6.048 -19.752 1.00 62.44 ? 277 LEU A CA 1 ATOM 2081 C C . LEU A 1 277 ? 72.168 -6.129 -18.651 1.00 64.99 ? 277 LEU A C 1 ATOM 2082 O O . LEU A 1 277 ? 71.915 -5.741 -17.507 1.00 64.55 ? 277 LEU A O 1 ATOM 2083 C CB . LEU A 1 277 ? 70.702 -4.606 -20.064 1.00 59.49 ? 277 LEU A CB 1 ATOM 2084 C CG . LEU A 1 277 ? 71.515 -3.681 -20.976 1.00 60.60 ? 277 LEU A CG 1 ATOM 2085 C CD1 . LEU A 1 277 ? 72.169 -4.374 -22.196 1.00 63.47 ? 277 LEU A CD1 1 ATOM 2086 C CD2 . LEU A 1 277 ? 70.618 -2.526 -21.419 1.00 58.70 ? 277 LEU A CD2 1 ATOM 2087 N N . TYR A 1 278 ? 73.334 -6.669 -18.995 1.00 67.69 ? 278 TYR A N 1 ATOM 2088 C CA . TYR A 1 278 ? 74.411 -6.843 -18.025 1.00 71.41 ? 278 TYR A CA 1 ATOM 2089 C C . TYR A 1 278 ? 75.339 -5.644 -18.046 1.00 71.70 ? 278 TYR A C 1 ATOM 2090 O O . TYR A 1 278 ? 75.654 -5.115 -19.113 1.00 71.26 ? 278 TYR A O 1 ATOM 2091 C CB . TYR A 1 278 ? 75.194 -8.133 -18.302 1.00 74.78 ? 278 TYR A CB 1 ATOM 2092 C CG . TYR A 1 278 ? 74.346 -9.361 -18.153 1.00 75.73 ? 278 TYR A CG 1 ATOM 2093 C CD1 . TYR A 1 278 ? 73.598 -9.847 -19.227 1.00 74.45 ? 278 TYR A CD1 1 ATOM 2094 C CD2 . TYR A 1 278 ? 74.264 -10.026 -16.932 1.00 78.44 ? 278 TYR A CD2 1 ATOM 2095 C CE1 . TYR A 1 278 ? 72.794 -10.973 -19.092 1.00 75.67 ? 278 TYR A CE1 1 ATOM 2096 C CE2 . TYR A 1 278 ? 73.463 -11.157 -16.781 1.00 79.95 ? 278 TYR A CE2 1 ATOM 2097 C CZ . TYR A 1 278 ? 72.725 -11.624 -17.865 1.00 78.55 ? 278 TYR A CZ 1 ATOM 2098 O OH . TYR A 1 278 ? 71.923 -12.741 -17.724 1.00 79.27 ? 278 TYR A OH 1 ATOM 2099 N N . TRP A 1 279 ? 75.769 -5.209 -16.868 1.00 73.22 ? 279 TRP A N 1 ATOM 2100 C CA . TRP A 1 279 ? 76.739 -4.127 -16.788 1.00 74.73 ? 279 TRP A CA 1 ATOM 2101 C C . TRP A 1 279 ? 78.111 -4.556 -17.315 1.00 78.46 ? 279 TRP A C 1 ATOM 2102 O O . TRP A 1 279 ? 78.791 -3.781 -17.992 1.00 78.94 ? 279 TRP A O 1 ATOM 2103 C CB . TRP A 1 279 ? 76.863 -3.610 -15.357 1.00 75.88 ? 279 TRP A CB 1 ATOM 2104 C CG . TRP A 1 279 ? 77.869 -2.513 -15.238 1.00 78.13 ? 279 TRP A CG 1 ATOM 2105 C CD1 . TRP A 1 279 ? 79.170 -2.636 -14.863 1.00 82.01 ? 279 TRP A CD1 1 ATOM 2106 C CD2 . TRP A 1 279 ? 77.665 -1.125 -15.531 1.00 77.46 ? 279 TRP A CD2 1 ATOM 2107 N NE1 . TRP A 1 279 ? 79.789 -1.414 -14.884 1.00 82.98 ? 279 TRP A NE1 1 ATOM 2108 C CE2 . TRP A 1 279 ? 78.890 -0.465 -15.289 1.00 79.26 ? 279 TRP A CE2 1 ATOM 2109 C CE3 . TRP A 1 279 ? 76.563 -0.371 -15.963 1.00 73.57 ? 279 TRP A CE3 1 ATOM 2110 C CZ2 . TRP A 1 279 ? 79.051 0.914 -15.466 1.00 79.09 ? 279 TRP A CZ2 1 ATOM 2111 C CZ3 . TRP A 1 279 ? 76.725 1.006 -16.142 1.00 73.26 ? 279 TRP A CZ3 1 ATOM 2112 C CH2 . TRP A 1 279 ? 77.960 1.630 -15.892 1.00 75.37 ? 279 TRP A CH2 1 ATOM 2113 N N . GLN B 2 2 ? 51.419 28.567 -4.159 1.00 73.19 ? 2 GLN B N 1 ATOM 2114 C CA . GLN B 2 2 ? 52.425 28.604 -5.268 1.00 71.84 ? 2 GLN B CA 1 ATOM 2115 C C . GLN B 2 2 ? 53.378 27.395 -5.205 1.00 70.58 ? 2 GLN B C 1 ATOM 2116 O O . GLN B 2 2 ? 54.037 27.165 -4.182 1.00 73.31 ? 2 GLN B O 1 ATOM 2117 C CB . GLN B 2 2 ? 53.212 29.922 -5.213 1.00 75.20 ? 2 GLN B CB 1 ATOM 2118 C CG . GLN B 2 2 ? 53.711 30.427 -6.570 1.00 74.21 ? 2 GLN B CG 1 ATOM 2119 C CD . GLN B 2 2 ? 53.979 31.937 -6.587 1.00 78.52 ? 2 GLN B CD 1 ATOM 2120 O OE1 . GLN B 2 2 ? 54.704 32.475 -5.737 1.00 80.59 ? 2 GLN B OE1 1 ATOM 2121 N NE2 . GLN B 2 2 ? 53.389 32.624 -7.569 1.00 78.13 ? 2 GLN B NE2 1 ATOM 2122 N N . LYS B 2 3 ? 53.441 26.633 -6.300 1.00 66.71 ? 3 LYS B N 1 ATOM 2123 C CA . LYS B 2 3 ? 54.223 25.384 -6.366 1.00 64.71 ? 3 LYS B CA 1 ATOM 2124 C C . LYS B 2 3 ? 55.366 25.474 -7.384 1.00 62.97 ? 3 LYS B C 1 ATOM 2125 O O . LYS B 2 3 ? 55.148 25.910 -8.526 1.00 60.99 ? 3 LYS B O 1 ATOM 2126 N N . THR B 2 4 ? 56.563 25.039 -6.959 1.00 63.54 ? 4 THR B N 1 ATOM 2127 C CA . THR B 2 4 ? 57.846 25.227 -7.689 1.00 62.70 ? 4 THR B CA 1 ATOM 2128 C C . THR B 2 4 ? 58.290 24.061 -8.606 1.00 58.77 ? 4 THR B C 1 ATOM 2129 O O . THR B 2 4 ? 58.682 22.993 -8.111 1.00 59.62 ? 4 THR B O 1 ATOM 2130 C CB . THR B 2 4 ? 59.004 25.472 -6.718 1.00 66.15 ? 4 THR B CB 1 ATOM 2131 O OG1 . THR B 2 4 ? 59.102 24.352 -5.833 1.00 67.92 ? 4 THR B OG1 1 ATOM 2132 C CG2 . THR B 2 4 ? 58.788 26.750 -5.906 1.00 71.07 ? 4 THR B CG2 1 ATOM 2133 N N . PRO B 2 5 ? 58.323 24.299 -9.932 1.00 54.86 ? 5 PRO B N 1 ATOM 2134 C CA . PRO B 2 5 ? 58.405 23.266 -10.974 1.00 50.87 ? 5 PRO B CA 1 ATOM 2135 C C . PRO B 2 5 ? 59.535 22.246 -10.838 1.00 49.90 ? 5 PRO B C 1 ATOM 2136 O O . PRO B 2 5 ? 60.685 22.611 -10.619 1.00 51.27 ? 5 PRO B O 1 ATOM 2137 C CB . PRO B 2 5 ? 58.602 24.075 -12.255 1.00 49.73 ? 5 PRO B CB 1 ATOM 2138 C CG . PRO B 2 5 ? 58.226 25.454 -11.911 1.00 52.31 ? 5 PRO B CG 1 ATOM 2139 C CD . PRO B 2 5 ? 58.540 25.640 -10.491 1.00 55.58 ? 5 PRO B CD 1 ATOM 2140 N N . GLN B 2 6 ? 59.173 20.974 -10.975 1.00 47.48 ? 6 GLN B N 1 ATOM 2141 C CA . GLN B 2 6 ? 60.115 19.876 -11.140 1.00 46.82 ? 6 GLN B CA 1 ATOM 2142 C C . GLN B 2 6 ? 60.447 19.795 -12.628 1.00 44.05 ? 6 GLN B C 1 ATOM 2143 O O . GLN B 2 6 ? 59.541 19.850 -13.478 1.00 41.89 ? 6 GLN B O 1 ATOM 2144 C CB . GLN B 2 6 ? 59.484 18.568 -10.669 1.00 47.00 ? 6 GLN B CB 1 ATOM 2145 C CG . GLN B 2 6 ? 60.468 17.480 -10.251 1.00 51.36 ? 6 GLN B CG 1 ATOM 2146 N N . ILE B 2 7 ? 61.743 19.707 -12.935 1.00 43.33 ? 7 ILE B N 1 ATOM 2147 C CA . ILE B 2 7 ? 62.215 19.643 -14.311 1.00 40.47 ? 7 ILE B CA 1 ATOM 2148 C C . ILE B 2 7 ? 63.028 18.375 -14.500 1.00 40.41 ? 7 ILE B C 1 ATOM 2149 O O . ILE B 2 7 ? 63.969 18.126 -13.752 1.00 42.53 ? 7 ILE B O 1 ATOM 2150 C CB . ILE B 2 7 ? 63.123 20.843 -14.682 1.00 41.51 ? 7 ILE B CB 1 ATOM 2151 C CG1 . ILE B 2 7 ? 62.488 22.189 -14.275 1.00 41.12 ? 7 ILE B CG1 1 ATOM 2152 C CG2 . ILE B 2 7 ? 63.464 20.790 -16.163 1.00 38.17 ? 7 ILE B CG2 1 ATOM 2153 C CD1 . ILE B 2 7 ? 63.461 23.373 -14.265 1.00 41.62 ? 7 ILE B CD1 1 ATOM 2154 N N . GLN B 2 8 ? 62.663 17.584 -15.503 1.00 37.80 ? 8 GLN B N 1 ATOM 2155 C CA . GLN B 2 8 ? 63.324 16.325 -15.764 1.00 38.02 ? 8 GLN B CA 1 ATOM 2156 C C . GLN B 2 8 ? 63.696 16.228 -17.235 1.00 36.74 ? 8 GLN B C 1 ATOM 2157 O O . GLN B 2 8 ? 62.847 16.372 -18.105 1.00 35.31 ? 8 GLN B O 1 ATOM 2158 C CB . GLN B 2 8 ? 62.444 15.158 -15.326 1.00 38.15 ? 8 GLN B CB 1 ATOM 2159 C CG . GLN B 2 8 ? 62.254 15.094 -13.814 1.00 40.14 ? 8 GLN B CG 1 ATOM 2160 C CD . GLN B 2 8 ? 61.273 14.018 -13.399 1.00 41.97 ? 8 GLN B CD 1 ATOM 2161 O OE1 . GLN B 2 8 ? 60.034 14.220 -13.393 1.00 39.99 ? 8 GLN B OE1 1 ATOM 2162 N NE2 . GLN B 2 8 ? 61.814 12.865 -13.037 1.00 41.25 ? 8 GLN B NE2 1 ATOM 2163 N N . VAL B 2 9 ? 64.980 15.996 -17.495 1.00 37.02 ? 9 VAL B N 1 ATOM 2164 C CA . VAL B 2 9 ? 65.501 15.998 -18.848 1.00 35.32 ? 9 VAL B CA 1 ATOM 2165 C C . VAL B 2 9 ? 66.034 14.614 -19.158 1.00 36.10 ? 9 VAL B C 1 ATOM 2166 O O . VAL B 2 9 ? 66.783 14.029 -18.369 1.00 37.81 ? 9 VAL B O 1 ATOM 2167 C CB . VAL B 2 9 ? 66.626 17.052 -19.011 1.00 36.04 ? 9 VAL B CB 1 ATOM 2168 C CG1 . VAL B 2 9 ? 67.093 17.114 -20.448 1.00 34.44 ? 9 VAL B CG1 1 ATOM 2169 C CG2 . VAL B 2 9 ? 66.124 18.406 -18.556 1.00 34.05 ? 9 VAL B CG2 1 ATOM 2170 N N . TYR B 2 10 ? 65.634 14.098 -20.312 1.00 34.72 ? 10 TYR B N 1 ATOM 2171 C CA . TYR B 2 10 ? 65.920 12.726 -20.687 1.00 35.32 ? 10 TYR B CA 1 ATOM 2172 C C . TYR B 2 10 ? 65.751 12.520 -22.189 1.00 34.61 ? 10 TYR B C 1 ATOM 2173 O O . TYR B 2 10 ? 64.979 13.234 -22.847 1.00 32.77 ? 10 TYR B O 1 ATOM 2174 C CB . TYR B 2 10 ? 65.020 11.758 -19.908 1.00 35.42 ? 10 TYR B CB 1 ATOM 2175 C CG . TYR B 2 10 ? 63.543 12.064 -19.986 1.00 33.86 ? 10 TYR B CG 1 ATOM 2176 C CD1 . TYR B 2 10 ? 62.668 11.234 -20.696 1.00 32.40 ? 10 TYR B CD1 1 ATOM 2177 C CD2 . TYR B 2 10 ? 63.008 13.169 -19.325 1.00 33.68 ? 10 TYR B CD2 1 ATOM 2178 C CE1 . TYR B 2 10 ? 61.310 11.504 -20.741 1.00 31.53 ? 10 TYR B CE1 1 ATOM 2179 C CE2 . TYR B 2 10 ? 61.657 13.456 -19.380 1.00 31.58 ? 10 TYR B CE2 1 ATOM 2180 C CZ . TYR B 2 10 ? 60.813 12.628 -20.088 1.00 30.93 ? 10 TYR B CZ 1 ATOM 2181 O OH . TYR B 2 10 ? 59.472 12.937 -20.118 1.00 29.39 ? 10 TYR B OH 1 ATOM 2182 N N . SER B 2 11 ? 66.488 11.548 -22.720 1.00 35.48 ? 11 SER B N 1 ATOM 2183 C CA . SER B 2 11 ? 66.432 11.249 -24.142 1.00 35.94 ? 11 SER B CA 1 ATOM 2184 C C . SER B 2 11 ? 65.398 10.180 -24.420 1.00 36.14 ? 11 SER B C 1 ATOM 2185 O O . SER B 2 11 ? 65.102 9.334 -23.558 1.00 36.86 ? 11 SER B O 1 ATOM 2186 C CB . SER B 2 11 ? 67.805 10.827 -24.677 1.00 37.29 ? 11 SER B CB 1 ATOM 2187 O OG . SER B 2 11 ? 68.271 9.645 -24.040 1.00 40.32 ? 11 SER B OG 1 ATOM 2188 N N . ARG B 2 12 ? 64.849 10.217 -25.630 1.00 35.90 ? 12 ARG B N 1 ATOM 2189 C CA . ARG B 2 12 ? 63.839 9.244 -26.047 1.00 36.22 ? 12 ARG B CA 1 ATOM 2190 C C . ARG B 2 12 ? 64.467 7.875 -26.330 1.00 38.30 ? 12 ARG B C 1 ATOM 2191 O O . ARG B 2 12 ? 63.883 6.842 -26.005 1.00 39.77 ? 12 ARG B O 1 ATOM 2192 C CB . ARG B 2 12 ? 63.109 9.770 -27.284 1.00 36.26 ? 12 ARG B CB 1 ATOM 2193 C CG . ARG B 2 12 ? 62.255 8.749 -28.024 1.00 36.24 ? 12 ARG B CG 1 ATOM 2194 C CD . ARG B 2 12 ? 61.081 8.368 -27.178 1.00 35.39 ? 12 ARG B CD 1 ATOM 2195 N NE . ARG B 2 12 ? 60.179 7.458 -27.870 1.00 37.64 ? 12 ARG B NE 1 ATOM 2196 C CZ . ARG B 2 12 ? 60.385 6.158 -28.018 1.00 39.82 ? 12 ARG B CZ 1 ATOM 2197 N NH1 . ARG B 2 12 ? 61.490 5.602 -27.540 1.00 41.00 ? 12 ARG B NH1 1 ATOM 2198 N NH2 . ARG B 2 12 ? 59.483 5.415 -28.657 1.00 42.52 ? 12 ARG B NH2 1 ATOM 2199 N N . HIS B 2 13 ? 65.641 7.881 -26.955 1.00 38.53 ? 13 HIS B N 1 ATOM 2200 C CA . HIS B 2 13 ? 66.359 6.646 -27.295 1.00 41.09 ? 13 HIS B CA 1 ATOM 2201 C C . HIS B 2 13 ? 67.716 6.655 -26.605 1.00 41.42 ? 13 HIS B C 1 ATOM 2202 O O . HIS B 2 13 ? 68.188 7.720 -26.189 1.00 39.48 ? 13 HIS B O 1 ATOM 2203 C CB . HIS B 2 13 ? 66.597 6.518 -28.818 1.00 42.51 ? 13 HIS B CB 1 ATOM 2204 C CG . HIS B 2 13 ? 65.379 6.735 -29.659 1.00 43.24 ? 13 HIS B CG 1 ATOM 2205 N ND1 . HIS B 2 13 ? 64.427 5.757 -29.862 1.00 45.66 ? 13 HIS B ND1 1 ATOM 2206 C CD2 . HIS B 2 13 ? 64.966 7.817 -30.364 1.00 43.23 ? 13 HIS B CD2 1 ATOM 2207 C CE1 . HIS B 2 13 ? 63.469 6.233 -30.640 1.00 46.07 ? 13 HIS B CE1 1 ATOM 2208 N NE2 . HIS B 2 13 ? 63.774 7.481 -30.960 1.00 46.68 ? 13 HIS B NE2 1 ATOM 2209 N N . PRO B 2 14 ? 68.381 5.484 -26.524 1.00 44.24 ? 14 PRO B N 1 ATOM 2210 C CA . PRO B 2 14 ? 69.729 5.454 -25.960 1.00 45.81 ? 14 PRO B CA 1 ATOM 2211 C C . PRO B 2 14 ? 70.620 6.480 -26.656 1.00 45.83 ? 14 PRO B C 1 ATOM 2212 O O . PRO B 2 14 ? 70.704 6.477 -27.894 1.00 45.86 ? 14 PRO B O 1 ATOM 2213 C CB . PRO B 2 14 ? 70.230 4.036 -26.281 1.00 48.91 ? 14 PRO B CB 1 ATOM 2214 C CG . PRO B 2 14 ? 69.034 3.248 -26.567 1.00 50.08 ? 14 PRO B CG 1 ATOM 2215 C CD . PRO B 2 14 ? 67.978 4.178 -27.066 1.00 46.89 ? 14 PRO B CD 1 ATOM 2216 N N . PRO B 2 15 ? 71.268 7.367 -25.872 1.00 46.37 ? 15 PRO B N 1 ATOM 2217 C CA . PRO B 2 15 ? 72.156 8.382 -26.450 1.00 46.46 ? 15 PRO B CA 1 ATOM 2218 C C . PRO B 2 15 ? 73.409 7.773 -27.032 1.00 49.94 ? 15 PRO B C 1 ATOM 2219 O O . PRO B 2 15 ? 74.079 6.963 -26.389 1.00 52.48 ? 15 PRO B O 1 ATOM 2220 C CB . PRO B 2 15 ? 72.491 9.298 -25.264 1.00 45.70 ? 15 PRO B CB 1 ATOM 2221 C CG . PRO B 2 15 ? 72.210 8.486 -24.046 1.00 46.85 ? 15 PRO B CG 1 ATOM 2222 C CD . PRO B 2 15 ? 71.082 7.553 -24.418 1.00 45.82 ? 15 PRO B CD 1 ATOM 2223 N N . GLU B 2 16 ? 73.710 8.162 -28.261 1.00 50.92 ? 16 GLU B N 1 ATOM 2224 C CA . GLU B 2 16 ? 74.903 7.714 -28.953 1.00 53.63 ? 16 GLU B CA 1 ATOM 2225 C C . GLU B 2 16 ? 75.463 8.934 -29.686 1.00 52.84 ? 16 GLU B C 1 ATOM 2226 O O . GLU B 2 16 ? 74.734 9.632 -30.387 1.00 51.40 ? 16 GLU B O 1 ATOM 2227 C CB . GLU B 2 16 ? 74.551 6.561 -29.905 1.00 55.54 ? 16 GLU B CB 1 ATOM 2228 C CG . GLU B 2 16 ? 75.645 6.165 -30.884 1.00 61.28 ? 16 GLU B CG 1 ATOM 2229 C CD . GLU B 2 16 ? 75.550 4.709 -31.353 1.00 67.28 ? 16 GLU B CD 1 ATOM 2230 O OE1 . GLU B 2 16 ? 74.451 4.107 -31.324 1.00 69.01 ? 16 GLU B OE1 1 ATOM 2231 O OE2 . GLU B 2 16 ? 76.597 4.160 -31.751 1.00 71.43 ? 16 GLU B OE2 1 ATOM 2232 N N . ASN B 2 17 ? 76.748 9.206 -29.495 1.00 53.99 ? 17 ASN B N 1 ATOM 2233 C CA . ASN B 2 17 ? 77.363 10.382 -30.092 1.00 53.96 ? 17 ASN B CA 1 ATOM 2234 C C . ASN B 2 17 ? 77.289 10.402 -31.618 1.00 54.76 ? 17 ASN B C 1 ATOM 2235 O O . ASN B 2 17 ? 77.638 9.427 -32.282 1.00 56.23 ? 17 ASN B O 1 ATOM 2236 C CB . ASN B 2 17 ? 78.793 10.567 -29.570 1.00 55.54 ? 17 ASN B CB 1 ATOM 2237 C CG . ASN B 2 17 ? 78.813 11.073 -28.135 1.00 55.20 ? 17 ASN B CG 1 ATOM 2238 O OD1 . ASN B 2 17 ? 77.835 11.652 -27.671 1.00 53.13 ? 17 ASN B OD1 1 ATOM 2239 N ND2 . ASN B 2 17 ? 79.914 10.851 -27.427 1.00 56.89 ? 17 ASN B ND2 1 ATOM 2240 N N . GLY B 2 18 ? 76.777 11.508 -32.158 1.00 53.88 ? 18 GLY B N 1 ATOM 2241 C CA . GLY B 2 18 ? 76.629 11.666 -33.610 1.00 54.66 ? 18 GLY B CA 1 ATOM 2242 C C . GLY B 2 18 ? 75.328 11.127 -34.198 1.00 54.09 ? 18 GLY B C 1 ATOM 2243 O O . GLY B 2 18 ? 75.087 11.282 -35.396 1.00 55.40 ? 18 GLY B O 1 ATOM 2244 N N . LYS B 2 19 ? 74.486 10.509 -33.366 1.00 52.32 ? 19 LYS B N 1 ATOM 2245 C CA . LYS B 2 19 ? 73.211 9.925 -33.816 1.00 51.81 ? 19 LYS B CA 1 ATOM 2246 C C . LYS B 2 19 ? 71.981 10.762 -33.399 1.00 49.73 ? 19 LYS B C 1 ATOM 2247 O O . LYS B 2 19 ? 71.781 11.037 -32.201 1.00 47.66 ? 19 LYS B O 1 ATOM 2248 C CB . LYS B 2 19 ? 73.076 8.493 -33.295 1.00 52.73 ? 19 LYS B CB 1 ATOM 2249 N N . PRO B 2 20 ? 71.147 11.171 -34.386 1.00 50.04 ? 20 PRO B N 1 ATOM 2250 C CA . PRO B 2 20 ? 69.957 11.978 -34.059 1.00 47.72 ? 20 PRO B CA 1 ATOM 2251 C C . PRO B 2 20 ? 68.994 11.259 -33.100 1.00 46.01 ? 20 PRO B C 1 ATOM 2252 O O . PRO B 2 20 ? 68.756 10.054 -33.222 1.00 46.93 ? 20 PRO B O 1 ATOM 2253 C CB . PRO B 2 20 ? 69.301 12.230 -35.422 1.00 49.82 ? 20 PRO B CB 1 ATOM 2254 C CG . PRO B 2 20 ? 70.439 12.037 -36.447 1.00 52.40 ? 20 PRO B CG 1 ATOM 2255 C CD . PRO B 2 20 ? 71.310 10.971 -35.845 1.00 52.32 ? 20 PRO B CD 1 ATOM 2256 N N . ASN B 2 21 ? 68.465 12.023 -32.151 1.00 42.89 ? 21 ASN B N 1 ATOM 2257 C CA . ASN B 2 21 ? 67.706 11.506 -31.028 1.00 41.18 ? 21 ASN B CA 1 ATOM 2258 C C . ASN B 2 21 ? 66.632 12.562 -30.713 1.00 39.30 ? 21 ASN B C 1 ATOM 2259 O O . ASN B 2 21 ? 66.531 13.574 -31.400 1.00 39.74 ? 21 ASN B O 1 ATOM 2260 C CB . ASN B 2 21 ? 68.664 11.320 -29.843 1.00 40.33 ? 21 ASN B CB 1 ATOM 2261 C CG . ASN B 2 21 ? 68.188 10.285 -28.825 1.00 40.00 ? 21 ASN B CG 1 ATOM 2262 O OD1 . ASN B 2 21 ? 66.998 10.129 -28.554 1.00 39.09 ? 21 ASN B OD1 1 ATOM 2263 N ND2 . ASN B 2 21 ? 69.142 9.584 -28.241 1.00 41.08 ? 21 ASN B ND2 1 ATOM 2264 N N . ILE B 2 22 ? 65.818 12.330 -29.696 1.00 37.67 ? 22 ILE B N 1 ATOM 2265 C CA . ILE B 2 22 ? 64.874 13.363 -29.259 1.00 35.95 ? 22 ILE B CA 1 ATOM 2266 C C . ILE B 2 22 ? 65.172 13.615 -27.793 1.00 34.57 ? 22 ILE B C 1 ATOM 2267 O O . ILE B 2 22 ? 65.364 12.669 -27.025 1.00 35.05 ? 22 ILE B O 1 ATOM 2268 C CB . ILE B 2 22 ? 63.403 12.936 -29.533 1.00 35.97 ? 22 ILE B CB 1 ATOM 2269 C CG1 . ILE B 2 22 ? 63.158 12.901 -31.052 1.00 38.59 ? 22 ILE B CG1 1 ATOM 2270 C CG2 . ILE B 2 22 ? 62.395 13.837 -28.814 1.00 33.56 ? 22 ILE B CG2 1 ATOM 2271 C CD1 . ILE B 2 22 ? 61.837 12.301 -31.446 1.00 41.98 ? 22 ILE B CD1 1 ATOM 2272 N N . LEU B 2 23 ? 65.265 14.885 -27.422 1.00 33.80 ? 23 LEU B N 1 ATOM 2273 C CA . LEU B 2 23 ? 65.457 15.263 -26.034 1.00 33.06 ? 23 LEU B CA 1 ATOM 2274 C C . LEU B 2 23 ? 64.132 15.771 -25.483 1.00 32.45 ? 23 LEU B C 1 ATOM 2275 O O . LEU B 2 23 ? 63.467 16.591 -26.129 1.00 32.83 ? 23 LEU B O 1 ATOM 2276 C CB . LEU B 2 23 ? 66.541 16.332 -25.906 1.00 33.18 ? 23 LEU B CB 1 ATOM 2277 C CG . LEU B 2 23 ? 67.014 16.615 -24.486 1.00 32.88 ? 23 LEU B CG 1 ATOM 2278 C CD1 . LEU B 2 23 ? 67.761 15.401 -23.904 1.00 34.21 ? 23 LEU B CD1 1 ATOM 2279 C CD2 . LEU B 2 23 ? 67.908 17.841 -24.469 1.00 32.16 ? 23 LEU B CD2 1 ATOM 2280 N N . ASN B 2 24 ? 63.763 15.256 -24.302 1.00 31.81 ? 24 ASN B N 1 ATOM 2281 C CA . ASN B 2 24 ? 62.556 15.609 -23.606 1.00 30.49 ? 24 ASN B CA 1 ATOM 2282 C C . ASN B 2 24 ? 62.858 16.449 -22.391 1.00 30.63 ? 24 ASN B C 1 ATOM 2283 O O . ASN B 2 24 ? 63.833 16.195 -21.689 1.00 31.30 ? 24 ASN B O 1 ATOM 2284 C CB . ASN B 2 24 ? 61.826 14.352 -23.135 1.00 31.00 ? 24 ASN B CB 1 ATOM 2285 C CG . ASN B 2 24 ? 61.381 13.482 -24.273 1.00 32.08 ? 24 ASN B CG 1 ATOM 2286 O OD1 . ASN B 2 24 ? 61.109 13.977 -25.363 1.00 31.89 ? 24 ASN B OD1 1 ATOM 2287 N ND2 . ASN B 2 24 ? 61.311 12.168 -24.035 1.00 32.44 ? 24 ASN B ND2 1 ATOM 2288 N N . CYS B 2 25 ? 62.002 17.438 -22.138 1.00 30.17 ? 25 CYS B N 1 ATOM 2289 C CA . CYS B 2 25 ? 62.035 18.192 -20.898 1.00 30.63 ? 25 CYS B CA 1 ATOM 2290 C C . CYS B 2 25 ? 60.641 18.167 -20.278 1.00 29.99 ? 25 CYS B C 1 ATOM 2291 O O . CYS B 2 25 ? 59.711 18.783 -20.811 1.00 29.25 ? 25 CYS B O 1 ATOM 2292 C CB . CYS B 2 25 ? 62.434 19.642 -21.147 1.00 31.57 ? 25 CYS B CB 1 ATOM 2293 S SG . CYS B 2 25 ? 62.476 20.499 -19.566 1.00 34.52 ? 25 CYS B SG 1 ATOM 2294 N N . TYR B 2 26 ? 60.507 17.460 -19.159 1.00 30.37 ? 26 TYR B N 1 ATOM 2295 C CA . TYR B 2 26 ? 59.216 17.250 -18.515 1.00 30.08 ? 26 TYR B CA 1 ATOM 2296 C C . TYR B 2 26 ? 59.174 18.111 -17.273 1.00 30.72 ? 26 TYR B C 1 ATOM 2297 O O . TYR B 2 26 ? 59.943 17.897 -16.328 1.00 31.61 ? 26 TYR B O 1 ATOM 2298 C CB . TYR B 2 26 ? 59.040 15.768 -18.156 1.00 30.60 ? 26 TYR B CB 1 ATOM 2299 C CG . TYR B 2 26 ? 57.652 15.366 -17.710 1.00 31.22 ? 26 TYR B CG 1 ATOM 2300 C CD1 . TYR B 2 26 ? 56.501 15.825 -18.391 1.00 31.85 ? 26 TYR B CD1 1 ATOM 2301 C CD2 . TYR B 2 26 ? 57.476 14.503 -16.626 1.00 32.50 ? 26 TYR B CD2 1 ATOM 2302 C CE1 . TYR B 2 26 ? 55.228 15.455 -17.977 1.00 31.52 ? 26 TYR B CE1 1 ATOM 2303 C CE2 . TYR B 2 26 ? 56.205 14.118 -16.220 1.00 32.60 ? 26 TYR B CE2 1 ATOM 2304 C CZ . TYR B 2 26 ? 55.100 14.588 -16.898 1.00 32.65 ? 26 TYR B CZ 1 ATOM 2305 O OH . TYR B 2 26 ? 53.854 14.186 -16.484 1.00 38.55 ? 26 TYR B OH 1 ATOM 2306 N N . VAL B 2 27 ? 58.257 19.075 -17.292 1.00 30.56 ? 27 VAL B N 1 ATOM 2307 C CA . VAL B 2 27 ? 58.088 20.052 -16.240 1.00 31.94 ? 27 VAL B CA 1 ATOM 2308 C C . VAL B 2 27 ? 56.753 19.787 -15.544 1.00 32.54 ? 27 VAL B C 1 ATOM 2309 O O . VAL B 2 27 ? 55.717 19.735 -16.189 1.00 32.19 ? 27 VAL B O 1 ATOM 2310 C CB . VAL B 2 27 ? 58.093 21.489 -16.799 1.00 32.31 ? 27 VAL B CB 1 ATOM 2311 C CG1 . VAL B 2 27 ? 58.055 22.492 -15.663 1.00 33.76 ? 27 VAL B CG1 1 ATOM 2312 C CG2 . VAL B 2 27 ? 59.313 21.721 -17.670 1.00 32.16 ? 27 VAL B CG2 1 ATOM 2313 N N . THR B 2 28 ? 56.785 19.638 -14.224 1.00 33.79 ? 28 THR B N 1 ATOM 2314 C CA . THR B 2 28 ? 55.623 19.201 -13.481 1.00 33.90 ? 28 THR B CA 1 ATOM 2315 C C . THR B 2 28 ? 55.530 19.955 -12.168 1.00 36.31 ? 28 THR B C 1 ATOM 2316 O O . THR B 2 28 ? 56.464 20.663 -11.756 1.00 37.00 ? 28 THR B O 1 ATOM 2317 C CB . THR B 2 28 ? 55.748 17.716 -13.093 1.00 34.06 ? 28 THR B CB 1 ATOM 2318 O OG1 . THR B 2 28 ? 57.018 17.521 -12.487 1.00 34.34 ? 28 THR B OG1 1 ATOM 2319 C CG2 . THR B 2 28 ? 55.648 16.810 -14.291 1.00 33.29 ? 28 THR B CG2 1 ATOM 2320 N N . GLN B 2 29 ? 54.426 19.735 -11.501 1.00 37.09 ? 29 GLN B N 1 ATOM 2321 C CA . GLN B 2 29 ? 54.177 20.213 -10.176 1.00 40.49 ? 29 GLN B CA 1 ATOM 2322 C C . GLN B 2 29 ? 54.111 21.703 -10.007 1.00 40.62 ? 29 GLN B C 1 ATOM 2323 O O . GLN B 2 29 ? 54.353 22.169 -8.947 1.00 43.59 ? 29 GLN B O 1 ATOM 2324 C CB . GLN B 2 29 ? 55.216 19.635 -9.238 1.00 20.00 ? 29 GLN B CB 1 ATOM 2325 C CG . GLN B 2 29 ? 54.976 18.196 -8.950 1.00 20.00 ? 29 GLN B CG 1 ATOM 2326 C CD . GLN B 2 29 ? 53.634 17.991 -8.296 1.00 20.00 ? 29 GLN B CD 1 ATOM 2327 O OE1 . GLN B 2 29 ? 53.166 18.839 -7.551 1.00 20.00 ? 29 GLN B OE1 1 ATOM 2328 N NE2 . GLN B 2 29 ? 53.012 16.865 -8.561 1.00 20.00 ? 29 GLN B NE2 1 ATOM 2329 N N . PHE B 2 30 ? 53.800 22.455 -11.034 1.00 37.74 ? 30 PHE B N 1 ATOM 2330 C CA . PHE B 2 30 ? 53.768 23.914 -10.895 1.00 37.90 ? 30 PHE B CA 1 ATOM 2331 C C . PHE B 2 30 ? 52.356 24.486 -10.882 1.00 37.54 ? 30 PHE B C 1 ATOM 2332 O O . PHE B 2 30 ? 51.413 23.857 -11.355 1.00 34.59 ? 30 PHE B O 1 ATOM 2333 C CB . PHE B 2 30 ? 54.599 24.603 -11.972 1.00 37.37 ? 30 PHE B CB 1 ATOM 2334 C CG . PHE B 2 30 ? 54.208 24.239 -13.390 1.00 33.88 ? 30 PHE B CG 1 ATOM 2335 C CD1 . PHE B 2 30 ? 54.673 23.067 -13.977 1.00 29.34 ? 30 PHE B CD1 1 ATOM 2336 C CD2 . PHE B 2 30 ? 53.398 25.090 -14.135 1.00 32.88 ? 30 PHE B CD2 1 ATOM 2337 C CE1 . PHE B 2 30 ? 54.306 22.742 -15.289 1.00 30.62 ? 30 PHE B CE1 1 ATOM 2338 C CE2 . PHE B 2 30 ? 53.032 24.779 -15.452 1.00 31.05 ? 30 PHE B CE2 1 ATOM 2339 C CZ . PHE B 2 30 ? 53.489 23.609 -16.032 1.00 29.46 ? 30 PHE B CZ 1 ATOM 2340 N N . HIS B 2 31 ? 52.234 25.676 -10.315 1.00 39.88 ? 31 HIS B N 1 ATOM 2341 C CA . HIS B 2 31 ? 51.019 26.479 -10.408 1.00 41.72 ? 31 HIS B CA 1 ATOM 2342 C C . HIS B 2 31 ? 51.331 27.872 -9.891 1.00 44.42 ? 31 HIS B C 1 ATOM 2343 O O . HIS B 2 31 ? 52.119 28.018 -8.949 1.00 46.55 ? 31 HIS B O 1 ATOM 2344 C CB . HIS B 2 31 ? 49.819 25.856 -9.663 1.00 41.89 ? 31 HIS B CB 1 ATOM 2345 C CG . HIS B 2 31 ? 49.975 25.839 -8.181 1.00 46.74 ? 31 HIS B CG 1 ATOM 2346 N ND1 . HIS B 2 31 ? 49.378 26.775 -7.362 1.00 53.30 ? 31 HIS B ND1 1 ATOM 2347 C CD2 . HIS B 2 31 ? 50.674 25.013 -7.366 1.00 50.57 ? 31 HIS B CD2 1 ATOM 2348 C CE1 . HIS B 2 31 ? 49.702 26.525 -6.103 1.00 56.51 ? 31 HIS B CE1 1 ATOM 2349 N NE2 . HIS B 2 31 ? 50.488 25.460 -6.079 1.00 54.16 ? 31 HIS B NE2 1 ATOM 2350 N N . PRO B 2 32 ? 50.725 28.911 -10.506 1.00 45.32 ? 32 PRO B N 1 ATOM 2351 C CA . PRO B 2 32 ? 49.736 28.880 -11.586 1.00 43.73 ? 32 PRO B CA 1 ATOM 2352 C C . PRO B 2 32 ? 50.319 28.335 -12.885 1.00 41.91 ? 32 PRO B C 1 ATOM 2353 O O . PRO B 2 32 ? 51.535 28.166 -12.975 1.00 42.03 ? 32 PRO B O 1 ATOM 2354 C CB . PRO B 2 32 ? 49.347 30.358 -11.741 1.00 46.41 ? 32 PRO B CB 1 ATOM 2355 C CG . PRO B 2 32 ? 50.576 31.105 -11.302 1.00 49.28 ? 32 PRO B CG 1 ATOM 2356 C CD . PRO B 2 32 ? 51.083 30.297 -10.139 1.00 48.53 ? 32 PRO B CD 1 ATOM 2357 N N . PRO B 2 33 ? 49.461 28.063 -13.888 1.00 40.62 ? 33 PRO B N 1 ATOM 2358 C CA . PRO B 2 33 ? 49.907 27.441 -15.133 1.00 39.17 ? 33 PRO B CA 1 ATOM 2359 C C . PRO B 2 33 ? 50.814 28.305 -16.024 1.00 40.52 ? 33 PRO B C 1 ATOM 2360 O O . PRO B 2 33 ? 51.462 27.765 -16.921 1.00 40.80 ? 33 PRO B O 1 ATOM 2361 C CB . PRO B 2 33 ? 48.596 27.141 -15.861 1.00 38.20 ? 33 PRO B CB 1 ATOM 2362 C CG . PRO B 2 33 ? 47.653 28.199 -15.364 1.00 40.69 ? 33 PRO B CG 1 ATOM 2363 C CD . PRO B 2 33 ? 48.016 28.369 -13.916 1.00 40.80 ? 33 PRO B CD 1 ATOM 2364 N N . HIS B 2 34 ? 50.874 29.609 -15.814 1.00 42.57 ? 34 HIS B N 1 ATOM 2365 C CA . HIS B 2 34 ? 51.774 30.423 -16.634 1.00 44.92 ? 34 HIS B CA 1 ATOM 2366 C C . HIS B 2 34 ? 53.249 30.083 -16.402 1.00 44.05 ? 34 HIS B C 1 ATOM 2367 O O . HIS B 2 34 ? 53.753 30.149 -15.282 1.00 44.96 ? 34 HIS B O 1 ATOM 2368 C CB . HIS B 2 34 ? 51.551 31.909 -16.447 1.00 48.10 ? 34 HIS B CB 1 ATOM 2369 C CG . HIS B 2 34 ? 52.288 32.741 -17.446 1.00 54.34 ? 34 HIS B CG 1 ATOM 2370 N ND1 . HIS B 2 34 ? 53.477 33.381 -17.157 1.00 59.64 ? 34 HIS B ND1 1 ATOM 2371 C CD2 . HIS B 2 34 ? 52.017 33.023 -18.743 1.00 58.66 ? 34 HIS B CD2 1 ATOM 2372 C CE1 . HIS B 2 34 ? 53.895 34.036 -18.226 1.00 62.89 ? 34 HIS B CE1 1 ATOM 2373 N NE2 . HIS B 2 34 ? 53.028 33.833 -19.203 1.00 62.88 ? 34 HIS B NE2 1 ATOM 2374 N N . ILE B 2 35 ? 53.924 29.724 -17.484 1.00 42.69 ? 35 ILE B N 1 ATOM 2375 C CA . ILE B 2 35 ? 55.296 29.256 -17.429 1.00 41.60 ? 35 ILE B CA 1 ATOM 2376 C C . ILE B 2 35 ? 56.022 29.478 -18.761 1.00 42.25 ? 35 ILE B C 1 ATOM 2377 O O . ILE B 2 35 ? 55.391 29.546 -19.825 1.00 41.74 ? 35 ILE B O 1 ATOM 2378 C CB . ILE B 2 35 ? 55.362 27.762 -17.015 1.00 38.86 ? 35 ILE B CB 1 ATOM 2379 C CG1 . ILE B 2 35 ? 56.725 27.433 -16.388 1.00 37.39 ? 35 ILE B CG1 1 ATOM 2380 C CG2 . ILE B 2 35 ? 54.990 26.854 -18.184 1.00 36.03 ? 35 ILE B CG2 1 ATOM 2381 C CD1 . ILE B 2 35 ? 56.739 26.120 -15.638 1.00 36.76 ? 35 ILE B CD1 1 ATOM 2382 N N . GLU B 2 36 ? 57.345 29.618 -18.677 1.00 43.00 ? 36 GLU B N 1 ATOM 2383 C CA . GLU B 2 36 ? 58.184 29.713 -19.850 1.00 43.96 ? 36 GLU B CA 1 ATOM 2384 C C . GLU B 2 36 ? 59.248 28.616 -19.814 1.00 42.26 ? 36 GLU B C 1 ATOM 2385 O O . GLU B 2 36 ? 59.922 28.420 -18.805 1.00 41.87 ? 36 GLU B O 1 ATOM 2386 C CB . GLU B 2 36 ? 58.824 31.081 -19.939 1.00 47.66 ? 36 GLU B CB 1 ATOM 2387 C CG . GLU B 2 36 ? 59.369 31.372 -21.316 1.00 52.29 ? 36 GLU B CG 1 ATOM 2388 C CD . GLU B 2 36 ? 60.352 32.512 -21.314 1.00 58.52 ? 36 GLU B CD 1 ATOM 2389 O OE1 . GLU B 2 36 ? 60.009 33.578 -20.752 1.00 61.33 ? 36 GLU B OE1 1 ATOM 2390 O OE2 . GLU B 2 36 ? 61.460 32.326 -21.867 1.00 59.84 ? 36 GLU B OE2 1 ATOM 2391 N N . ILE B 2 37 ? 59.358 27.887 -20.922 1.00 40.99 ? 37 ILE B N 1 ATOM 2392 C CA . ILE B 2 37 ? 60.227 26.719 -21.026 1.00 39.72 ? 37 ILE B CA 1 ATOM 2393 C C . ILE B 2 37 ? 61.056 26.873 -22.273 1.00 40.44 ? 37 ILE B C 1 ATOM 2394 O O . ILE B 2 37 ? 60.497 27.026 -23.368 1.00 40.71 ? 37 ILE B O 1 ATOM 2395 C CB . ILE B 2 37 ? 59.435 25.399 -21.155 1.00 37.21 ? 37 ILE B CB 1 ATOM 2396 C CG1 . ILE B 2 37 ? 58.591 25.142 -19.907 1.00 36.61 ? 37 ILE B CG1 1 ATOM 2397 C CG2 . ILE B 2 37 ? 60.381 24.233 -21.373 1.00 36.73 ? 37 ILE B CG2 1 ATOM 2398 C CD1 . ILE B 2 37 ? 57.639 23.974 -20.043 1.00 32.58 ? 37 ILE B CD1 1 ATOM 2399 N N . GLN B 2 38 ? 62.379 26.832 -22.091 1.00 40.74 ? 38 GLN B N 1 ATOM 2400 C CA . GLN B 2 38 ? 63.339 26.871 -23.180 1.00 41.18 ? 38 GLN B CA 1 ATOM 2401 C C . GLN B 2 38 ? 64.198 25.623 -23.130 1.00 39.23 ? 38 GLN B C 1 ATOM 2402 O O . GLN B 2 38 ? 64.612 25.191 -22.056 1.00 39.00 ? 38 GLN B O 1 ATOM 2403 C CB . GLN B 2 38 ? 64.277 28.065 -23.011 1.00 44.73 ? 38 GLN B CB 1 ATOM 2404 C CG . GLN B 2 38 ? 63.632 29.421 -22.905 1.00 48.68 ? 38 GLN B CG 1 ATOM 2405 C CD . GLN B 2 38 ? 64.669 30.528 -22.825 1.00 56.48 ? 38 GLN B CD 1 ATOM 2406 O OE1 . GLN B 2 38 ? 65.554 30.523 -21.958 1.00 59.20 ? 38 GLN B OE1 1 ATOM 2407 N NE2 . GLN B 2 38 ? 64.565 31.491 -23.730 1.00 61.05 ? 38 GLN B NE2 1 ATOM 2408 N N . MET B 2 39 ? 64.498 25.048 -24.285 1.00 38.17 ? 39 MET B N 1 ATOM 2409 C CA . MET B 2 39 ? 65.528 24.023 -24.335 1.00 37.35 ? 39 MET B CA 1 ATOM 2410 C C . MET B 2 39 ? 66.756 24.632 -24.988 1.00 39.67 ? 39 MET B C 1 ATOM 2411 O O . MET B 2 39 ? 66.659 25.305 -26.023 1.00 41.55 ? 39 MET B O 1 ATOM 2412 C CB . MET B 2 39 ? 65.055 22.766 -25.054 1.00 35.50 ? 39 MET B CB 1 ATOM 2413 C CG . MET B 2 39 ? 63.761 22.216 -24.466 1.00 33.70 ? 39 MET B CG 1 ATOM 2414 S SD . MET B 2 39 ? 63.299 20.615 -25.160 1.00 33.54 ? 39 MET B SD 1 ATOM 2415 C CE . MET B 2 39 ? 64.576 19.535 -24.483 1.00 31.82 ? 39 MET B CE 1 ATOM 2416 N N . LEU B 2 40 ? 67.907 24.428 -24.360 1.00 39.63 ? 40 LEU B N 1 ATOM 2417 C CA . LEU B 2 40 ? 69.108 25.131 -24.777 1.00 41.56 ? 40 LEU B CA 1 ATOM 2418 C C . LEU B 2 40 ? 70.179 24.171 -25.254 1.00 41.26 ? 40 LEU B C 1 ATOM 2419 O O . LEU B 2 40 ? 70.336 23.069 -24.711 1.00 39.77 ? 40 LEU B O 1 ATOM 2420 C CB . LEU B 2 40 ? 69.658 26.004 -23.648 1.00 42.89 ? 40 LEU B CB 1 ATOM 2421 C CG . LEU B 2 40 ? 68.734 26.972 -22.906 1.00 44.09 ? 40 LEU B CG 1 ATOM 2422 C CD1 . LEU B 2 40 ? 69.417 27.398 -21.608 1.00 45.46 ? 40 LEU B CD1 1 ATOM 2423 C CD2 . LEU B 2 40 ? 68.347 28.201 -23.781 1.00 45.13 ? 40 LEU B CD2 1 ATOM 2424 N N . LYS B 2 41 ? 70.882 24.607 -26.295 1.00 42.57 ? 41 LYS B N 1 ATOM 2425 C CA . LYS B 2 41 ? 72.080 23.955 -26.778 1.00 43.31 ? 41 LYS B CA 1 ATOM 2426 C C . LYS B 2 41 ? 73.255 24.919 -26.561 1.00 45.78 ? 41 LYS B C 1 ATOM 2427 O O . LYS B 2 41 ? 73.282 26.016 -27.124 1.00 47.19 ? 41 LYS B O 1 ATOM 2428 C CB . LYS B 2 41 ? 71.945 23.601 -28.262 1.00 43.17 ? 41 LYS B CB 1 ATOM 2429 C CG . LYS B 2 41 ? 73.184 22.913 -28.816 1.00 45.47 ? 41 LYS B CG 1 ATOM 2430 C CD . LYS B 2 41 ? 73.000 22.449 -30.256 1.00 48.75 ? 41 LYS B CD 1 ATOM 2431 C CE . LYS B 2 41 ? 74.293 21.815 -30.782 1.00 50.40 ? 41 LYS B CE 1 ATOM 2432 N NZ . LYS B 2 41 ? 74.227 21.525 -32.242 1.00 52.08 ? 41 LYS B NZ 1 ATOM 2433 N N . ASN B 2 42 ? 74.215 24.495 -25.744 1.00 46.38 ? 42 ASN B N 1 ATOM 2434 C CA . ASN B 2 42 ? 75.332 25.346 -25.332 1.00 49.48 ? 42 ASN B CA 1 ATOM 2435 C C . ASN B 2 42 ? 74.844 26.723 -24.892 1.00 51.75 ? 42 ASN B C 1 ATOM 2436 O O . ASN B 2 42 ? 75.413 27.754 -25.262 1.00 55.08 ? 42 ASN B O 1 ATOM 2437 C CB . ASN B 2 42 ? 76.383 25.450 -26.442 1.00 50.91 ? 42 ASN B CB 1 ATOM 2438 C CG . ASN B 2 42 ? 76.903 24.085 -26.891 1.00 49.31 ? 42 ASN B CG 1 ATOM 2439 O OD1 . ASN B 2 42 ? 77.271 23.241 -26.071 1.00 47.10 ? 42 ASN B OD1 1 ATOM 2440 N ND2 . ASN B 2 42 ? 76.944 23.873 -28.197 1.00 48.02 ? 42 ASN B ND2 1 ATOM 2441 N N . GLY B 2 43 ? 73.764 26.736 -24.120 1.00 51.06 ? 43 GLY B N 1 ATOM 2442 C CA . GLY B 2 43 ? 73.223 27.983 -23.586 1.00 53.83 ? 43 GLY B CA 1 ATOM 2443 C C . GLY B 2 43 ? 72.471 28.823 -24.598 1.00 54.93 ? 43 GLY B C 1 ATOM 2444 O O . GLY B 2 43 ? 72.005 29.908 -24.274 1.00 57.03 ? 43 GLY B O 1 ATOM 2445 N N . LYS B 2 44 ? 72.353 28.330 -25.827 1.00 54.58 ? 44 LYS B N 1 ATOM 2446 C CA . LYS B 2 44 ? 71.547 29.005 -26.836 1.00 56.05 ? 44 LYS B CA 1 ATOM 2447 C C . LYS B 2 44 ? 70.237 28.268 -27.102 1.00 53.63 ? 44 LYS B C 1 ATOM 2448 O O . LYS B 2 44 ? 70.191 27.032 -27.195 1.00 51.09 ? 44 LYS B O 1 ATOM 2449 C CB . LYS B 2 44 ? 72.333 29.202 -28.129 1.00 58.14 ? 44 LYS B CB 1 ATOM 2450 C CG . LYS B 2 44 ? 73.533 30.140 -27.974 1.00 62.93 ? 44 LYS B CG 1 ATOM 2451 C CD . LYS B 2 44 ? 74.608 29.861 -29.019 1.00 65.92 ? 44 LYS B CD 1 ATOM 2452 C CE . LYS B 2 44 ? 74.438 30.752 -30.246 1.00 70.21 ? 44 LYS B CE 1 ATOM 2453 N NZ . LYS B 2 44 ? 75.610 30.620 -31.179 1.00 72.96 ? 44 LYS B NZ 1 ATOM 2454 N N . LYS B 2 45 ? 69.185 29.066 -27.220 1.00 54.88 ? 45 LYS B N 1 ATOM 2455 C CA . LYS B 2 45 ? 67.830 28.621 -27.453 1.00 53.47 ? 45 LYS B CA 1 ATOM 2456 C C . LYS B 2 45 ? 67.737 27.773 -28.715 1.00 52.85 ? 45 LYS B C 1 ATOM 2457 O O . LYS B 2 45 ? 68.146 28.201 -29.791 1.00 54.74 ? 45 LYS B O 1 ATOM 2458 C CB . LYS B 2 45 ? 66.941 29.857 -27.582 1.00 55.74 ? 45 LYS B CB 1 ATOM 2459 C CG . LYS B 2 45 ? 65.494 29.647 -27.206 1.00 56.29 ? 45 LYS B CG 1 ATOM 2460 C CD . LYS B 2 45 ? 64.666 30.894 -27.497 1.00 62.40 ? 45 LYS B CD 1 ATOM 2461 C CE . LYS B 2 45 ? 63.172 30.558 -27.496 1.00 63.40 ? 45 LYS B CE 1 ATOM 2462 N NZ . LYS B 2 45 ? 62.334 31.799 -27.562 1.00 67.59 ? 45 LYS B NZ 1 ATOM 2463 N N . ILE B 2 46 ? 67.211 26.562 -28.571 1.00 50.61 ? 46 ILE B N 1 ATOM 2464 C CA . ILE B 2 46 ? 66.967 25.688 -29.710 1.00 50.57 ? 46 ILE B CA 1 ATOM 2465 C C . ILE B 2 46 ? 65.679 26.221 -30.325 1.00 52.35 ? 46 ILE B C 1 ATOM 2466 O O . ILE B 2 46 ? 64.724 26.501 -29.594 1.00 51.87 ? 46 ILE B O 1 ATOM 2467 C CB . ILE B 2 46 ? 66.860 24.203 -29.272 1.00 47.79 ? 46 ILE B CB 1 ATOM 2468 C CG1 . ILE B 2 46 ? 68.178 23.744 -28.619 1.00 46.83 ? 46 ILE B CG1 1 ATOM 2469 C CG2 . ILE B 2 46 ? 66.505 23.278 -30.454 1.00 47.65 ? 46 ILE B CG2 1 ATOM 2470 C CD1 . ILE B 2 46 ? 68.092 22.464 -27.787 1.00 41.12 ? 46 ILE B CD1 1 ATOM 2471 N N . PRO B 2 47 ? 65.655 26.418 -31.659 1.00 55.34 ? 47 PRO B N 1 ATOM 2472 C CA . PRO B 2 47 ? 64.514 27.137 -32.251 1.00 57.47 ? 47 PRO B CA 1 ATOM 2473 C C . PRO B 2 47 ? 63.278 26.269 -32.540 1.00 56.57 ? 47 PRO B C 1 ATOM 2474 O O . PRO B 2 47 ? 62.147 26.767 -32.431 1.00 57.49 ? 47 PRO B O 1 ATOM 2475 C CB . PRO B 2 47 ? 65.101 27.743 -33.541 1.00 61.19 ? 47 PRO B CB 1 ATOM 2476 C CG . PRO B 2 47 ? 66.425 27.037 -33.786 1.00 60.19 ? 47 PRO B CG 1 ATOM 2477 C CD . PRO B 2 47 ? 66.651 26.032 -32.680 1.00 56.88 ? 47 PRO B CD 1 ATOM 2478 N N . LYS B 2 48 ? 63.471 24.993 -32.880 1.00 55.38 ? 48 LYS B N 1 ATOM 2479 C CA . LYS B 2 48 ? 62.328 24.110 -33.158 1.00 54.92 ? 48 LYS B CA 1 ATOM 2480 C C . LYS B 2 48 ? 61.958 23.267 -31.924 1.00 52.03 ? 48 LYS B C 1 ATOM 2481 O O . LYS B 2 48 ? 62.321 22.067 -31.833 1.00 51.12 ? 48 LYS B O 1 ATOM 2482 C CB . LYS B 2 48 ? 62.609 23.210 -34.372 1.00 56.36 ? 48 LYS B CB 1 ATOM 2483 N N . VAL B 2 49 ? 61.273 23.890 -30.959 1.00 50.21 ? 49 VAL B N 1 ATOM 2484 C CA . VAL B 2 49 ? 60.891 23.162 -29.751 1.00 46.44 ? 49 VAL B CA 1 ATOM 2485 C C . VAL B 2 49 ? 59.391 22.959 -29.745 1.00 45.90 ? 49 VAL B C 1 ATOM 2486 O O . VAL B 2 49 ? 58.615 23.917 -29.797 1.00 46.80 ? 49 VAL B O 1 ATOM 2487 C CB . VAL B 2 49 ? 61.355 23.846 -28.427 1.00 45.98 ? 49 VAL B CB 1 ATOM 2488 C CG1 . VAL B 2 49 ? 60.914 23.007 -27.196 1.00 41.98 ? 49 VAL B CG1 1 ATOM 2489 C CG2 . VAL B 2 49 ? 62.862 24.044 -28.413 1.00 45.52 ? 49 VAL B CG2 1 ATOM 2490 N N . GLU B 2 50 ? 58.987 21.699 -29.686 1.00 43.99 ? 50 GLU B N 1 ATOM 2491 C CA . GLU B 2 50 ? 57.580 21.367 -29.622 1.00 43.67 ? 50 GLU B CA 1 ATOM 2492 C C . GLU B 2 50 ? 57.118 21.214 -28.186 1.00 40.83 ? 50 GLU B C 1 ATOM 2493 O O . GLU B 2 50 ? 57.853 20.708 -27.337 1.00 39.01 ? 50 GLU B O 1 ATOM 2494 C CB . GLU B 2 50 ? 57.290 20.129 -30.444 1.00 44.38 ? 50 GLU B CB 1 ATOM 2495 C CG . GLU B 2 50 ? 57.541 20.364 -31.922 1.00 50.55 ? 50 GLU B CG 1 ATOM 2496 C CD . GLU B 2 50 ? 57.764 19.084 -32.674 1.00 56.56 ? 50 GLU B CD 1 ATOM 2497 O OE1 . GLU B 2 50 ? 56.841 18.233 -32.674 1.00 59.42 ? 50 GLU B OE1 1 ATOM 2498 O OE2 . GLU B 2 50 ? 58.858 18.929 -33.274 1.00 59.68 ? 50 GLU B OE2 1 ATOM 2499 N N . MET B 2 51 ? 55.912 21.717 -27.934 1.00 40.60 ? 51 MET B N 1 ATOM 2500 C CA . MET B 2 51 ? 55.239 21.625 -26.642 1.00 38.88 ? 51 MET B CA 1 ATOM 2501 C C . MET B 2 51 ? 54.032 20.718 -26.776 1.00 37.70 ? 51 MET B C 1 ATOM 2502 O O . MET B 2 51 ? 53.281 20.825 -27.747 1.00 38.48 ? 51 MET B O 1 ATOM 2503 C CB . MET B 2 51 ? 54.746 23.002 -26.186 1.00 39.92 ? 51 MET B CB 1 ATOM 2504 C CG . MET B 2 51 ? 55.855 24.042 -26.049 1.00 44.14 ? 51 MET B CG 1 ATOM 2505 S SD . MET B 2 51 ? 56.797 23.728 -24.562 1.00 47.52 ? 51 MET B SD 1 ATOM 2506 C CE . MET B 2 51 ? 58.271 24.680 -24.891 1.00 49.80 ? 51 MET B CE 1 ATOM 2507 N N . SER B 2 52 ? 53.833 19.847 -25.787 1.00 35.09 ? 52 SER B N 1 ATOM 2508 C CA . SER B 2 52 ? 52.580 19.131 -25.668 1.00 34.60 ? 52 SER B CA 1 ATOM 2509 C C . SER B 2 52 ? 51.587 20.163 -25.167 1.00 34.25 ? 52 SER B C 1 ATOM 2510 O O . SER B 2 52 ? 51.991 21.226 -24.709 1.00 33.16 ? 52 SER B O 1 ATOM 2511 C CB . SER B 2 52 ? 52.702 18.017 -24.642 1.00 33.65 ? 52 SER B CB 1 ATOM 2512 O OG . SER B 2 52 ? 52.729 18.548 -23.318 1.00 32.95 ? 52 SER B OG 1 ATOM 2513 N N . ASP B 2 53 ? 50.297 19.865 -25.237 1.00 34.35 ? 53 ASP B N 1 ATOM 2514 C CA . ASP B 2 53 ? 49.331 20.740 -24.600 1.00 34.63 ? 53 ASP B CA 1 ATOM 2515 C C . ASP B 2 53 ? 49.541 20.656 -23.107 1.00 33.94 ? 53 ASP B C 1 ATOM 2516 O O . ASP B 2 53 ? 49.849 19.581 -22.562 1.00 33.81 ? 53 ASP B O 1 ATOM 2517 C CB . ASP B 2 53 ? 47.938 20.270 -24.893 1.00 35.75 ? 53 ASP B CB 1 ATOM 2518 C CG . ASP B 2 53 ? 47.633 20.260 -26.350 1.00 37.62 ? 53 ASP B CG 1 ATOM 2519 O OD1 . ASP B 2 53 ? 47.956 21.265 -27.026 1.00 38.09 ? 53 ASP B OD1 1 ATOM 2520 O OD2 . ASP B 2 53 ? 47.054 19.250 -26.803 1.00 37.98 ? 53 ASP B OD2 1 ATOM 2521 N N . MET B 2 54 ? 49.389 21.782 -22.429 1.00 33.82 ? 54 MET B N 1 ATOM 2522 C CA . MET B 2 54 ? 49.436 21.737 -20.997 1.00 32.21 ? 54 MET B CA 1 ATOM 2523 C C . MET B 2 54 ? 48.239 20.961 -20.443 1.00 31.21 ? 54 MET B C 1 ATOM 2524 O O . MET B 2 54 ? 47.133 21.086 -20.933 1.00 31.56 ? 54 MET B O 1 ATOM 2525 C CB . MET B 2 54 ? 49.428 23.120 -20.392 1.00 32.74 ? 54 MET B CB 1 ATOM 2526 C CG . MET B 2 54 ? 49.846 22.977 -18.950 1.00 33.25 ? 54 MET B CG 1 ATOM 2527 S SD . MET B 2 54 ? 50.192 24.520 -18.235 1.00 41.09 ? 54 MET B SD 1 ATOM 2528 C CE . MET B 2 54 ? 51.652 25.078 -19.134 1.00 37.69 ? 54 MET B CE 1 ATOM 2529 N N . SER B 2 55 ? 48.486 20.207 -19.383 1.00 29.56 ? 55 SER B N 1 ATOM 2530 C CA . SER B 2 55 ? 47.478 19.392 -18.735 1.00 29.12 ? 55 SER B CA 1 ATOM 2531 C C . SER B 2 55 ? 47.691 19.506 -17.224 1.00 27.90 ? 55 SER B C 1 ATOM 2532 O O . SER B 2 55 ? 48.542 20.290 -16.773 1.00 28.50 ? 55 SER B O 1 ATOM 2533 C CB . SER B 2 55 ? 47.614 17.949 -19.206 1.00 29.08 ? 55 SER B CB 1 ATOM 2534 O OG . SER B 2 55 ? 46.431 17.221 -18.948 1.00 33.64 ? 55 SER B OG 1 ATOM 2535 N N . PHE B 2 56 ? 46.924 18.759 -16.442 1.00 26.69 ? 56 PHE B N 1 ATOM 2536 C CA . PHE B 2 56 ? 47.158 18.707 -15.015 1.00 27.37 ? 56 PHE B CA 1 ATOM 2537 C C . PHE B 2 56 ? 46.805 17.357 -14.428 1.00 29.17 ? 56 PHE B C 1 ATOM 2538 O O . PHE B 2 56 ? 46.063 16.583 -15.040 1.00 28.64 ? 56 PHE B O 1 ATOM 2539 C CB . PHE B 2 56 ? 46.459 19.867 -14.255 1.00 27.28 ? 56 PHE B CB 1 ATOM 2540 C CG . PHE B 2 56 ? 44.965 19.931 -14.431 1.00 25.51 ? 56 PHE B CG 1 ATOM 2541 C CD1 . PHE B 2 56 ? 44.124 19.148 -13.654 1.00 23.24 ? 56 PHE B CD1 1 ATOM 2542 C CD2 . PHE B 2 56 ? 44.405 20.802 -15.353 1.00 23.70 ? 56 PHE B CD2 1 ATOM 2543 C CE1 . PHE B 2 56 ? 42.739 19.237 -13.795 1.00 24.19 ? 56 PHE B CE1 1 ATOM 2544 C CE2 . PHE B 2 56 ? 43.029 20.891 -15.504 1.00 24.29 ? 56 PHE B CE2 1 ATOM 2545 C CZ . PHE B 2 56 ? 42.195 20.110 -14.719 1.00 23.96 ? 56 PHE B CZ 1 ATOM 2546 N N . SER B 2 57 ? 47.344 17.089 -13.240 1.00 31.03 ? 57 SER B N 1 ATOM 2547 C CA . SER B 2 57 ? 47.236 15.771 -12.609 1.00 33.66 ? 57 SER B CA 1 ATOM 2548 C C . SER B 2 57 ? 46.063 15.749 -11.658 1.00 34.91 ? 57 SER B C 1 ATOM 2549 O O . SER B 2 57 ? 45.418 16.785 -11.436 1.00 35.07 ? 57 SER B O 1 ATOM 2550 C CB . SER B 2 57 ? 48.520 15.432 -11.844 1.00 34.63 ? 57 SER B CB 1 ATOM 2551 O OG . SER B 2 57 ? 49.635 15.422 -12.723 1.00 37.34 ? 57 SER B OG 1 ATOM 2552 N N . LYS B 2 58 ? 45.798 14.570 -11.096 1.00 36.23 ? 58 LYS B N 1 ATOM 2553 C CA . LYS B 2 58 ? 44.753 14.387 -10.103 1.00 38.16 ? 58 LYS B CA 1 ATOM 2554 C C . LYS B 2 58 ? 44.897 15.370 -8.960 1.00 37.14 ? 58 LYS B C 1 ATOM 2555 O O . LYS B 2 58 ? 43.899 15.778 -8.379 1.00 37.91 ? 58 LYS B O 1 ATOM 2556 C CB . LYS B 2 58 ? 44.808 12.959 -9.545 1.00 41.73 ? 58 LYS B CB 1 ATOM 2557 C CG . LYS B 2 58 ? 43.444 12.408 -9.068 1.00 47.65 ? 58 LYS B CG 1 ATOM 2558 C CD . LYS B 2 58 ? 43.477 10.865 -9.056 1.00 54.99 ? 58 LYS B CD 1 ATOM 2559 C CE . LYS B 2 58 ? 44.153 10.327 -10.345 1.00 56.75 ? 58 LYS B CE 1 ATOM 2560 N NZ . LYS B 2 58 ? 44.599 8.894 -10.238 1.00 61.82 ? 58 LYS B NZ 1 ATOM 2561 N N . ASP B 2 59 ? 46.133 15.746 -8.640 1.00 35.74 ? 59 ASP B N 1 ATOM 2562 C CA . ASP B 2 59 ? 46.389 16.725 -7.582 1.00 36.39 ? 59 ASP B CA 1 ATOM 2563 C C . ASP B 2 59 ? 46.256 18.194 -8.032 1.00 34.23 ? 59 ASP B C 1 ATOM 2564 O O . ASP B 2 59 ? 46.518 19.110 -7.267 1.00 34.59 ? 59 ASP B O 1 ATOM 2565 C CB . ASP B 2 59 ? 47.743 16.458 -6.889 1.00 38.18 ? 59 ASP B CB 1 ATOM 2566 C CG . ASP B 2 59 ? 48.937 16.980 -7.680 1.00 38.06 ? 59 ASP B CG 1 ATOM 2567 O OD1 . ASP B 2 59 ? 48.767 17.518 -8.801 1.00 36.95 ? 59 ASP B OD1 1 ATOM 2568 O OD2 . ASP B 2 59 ? 50.074 16.833 -7.180 1.00 43.15 ? 59 ASP B OD2 1 ATOM 2569 N N . TRP B 2 60 ? 45.830 18.408 -9.269 1.00 32.23 ? 60 TRP B N 1 ATOM 2570 C CA . TRP B 2 60 ? 45.562 19.757 -9.798 1.00 31.20 ? 60 TRP B CA 1 ATOM 2571 C C . TRP B 2 60 ? 46.821 20.531 -10.206 1.00 31.01 ? 60 TRP B C 1 ATOM 2572 O O . TRP B 2 60 ? 46.705 21.644 -10.718 1.00 30.63 ? 60 TRP B O 1 ATOM 2573 C CB . TRP B 2 60 ? 44.690 20.603 -8.842 1.00 31.59 ? 60 TRP B CB 1 ATOM 2574 C CG . TRP B 2 60 ? 43.369 19.934 -8.443 1.00 31.08 ? 60 TRP B CG 1 ATOM 2575 C CD1 . TRP B 2 60 ? 43.095 19.289 -7.262 1.00 31.28 ? 60 TRP B CD1 1 ATOM 2576 C CD2 . TRP B 2 60 ? 42.158 19.864 -9.224 1.00 28.97 ? 60 TRP B CD2 1 ATOM 2577 N NE1 . TRP B 2 60 ? 41.805 18.817 -7.262 1.00 32.31 ? 60 TRP B NE1 1 ATOM 2578 C CE2 . TRP B 2 60 ? 41.204 19.155 -8.449 1.00 31.07 ? 60 TRP B CE2 1 ATOM 2579 C CE3 . TRP B 2 60 ? 41.792 20.328 -10.498 1.00 25.59 ? 60 TRP B CE3 1 ATOM 2580 C CZ2 . TRP B 2 60 ? 39.910 18.904 -8.904 1.00 30.80 ? 60 TRP B CZ2 1 ATOM 2581 C CZ3 . TRP B 2 60 ? 40.512 20.087 -10.954 1.00 26.74 ? 60 TRP B CZ3 1 ATOM 2582 C CH2 . TRP B 2 60 ? 39.582 19.374 -10.164 1.00 31.48 ? 60 TRP B CH2 1 ATOM 2583 N N . SER B 2 61 ? 48.013 19.951 -10.010 1.00 31.30 ? 61 SER B N 1 ATOM 2584 C CA . SER B 2 61 ? 49.222 20.613 -10.491 1.00 31.35 ? 61 SER B CA 1 ATOM 2585 C C . SER B 2 61 ? 49.374 20.383 -11.983 1.00 29.87 ? 61 SER B C 1 ATOM 2586 O O . SER B 2 61 ? 48.967 19.348 -12.513 1.00 28.83 ? 61 SER B O 1 ATOM 2587 C CB . SER B 2 61 ? 50.494 20.177 -9.733 1.00 33.47 ? 61 SER B CB 1 ATOM 2588 O OG . SER B 2 61 ? 50.773 18.784 -9.872 1.00 33.38 ? 61 SER B OG 1 ATOM 2589 N N . PHE B 2 62 ? 49.956 21.374 -12.645 1.00 30.10 ? 62 PHE B N 1 ATOM 2590 C CA . PHE B 2 62 ? 50.133 21.372 -14.071 1.00 29.80 ? 62 PHE B CA 1 ATOM 2591 C C . PHE B 2 62 ? 51.422 20.661 -14.485 1.00 30.95 ? 62 PHE B C 1 ATOM 2592 O O . PHE B 2 62 ? 52.375 20.558 -13.716 1.00 30.71 ? 62 PHE B O 1 ATOM 2593 C CB . PHE B 2 62 ? 50.134 22.805 -14.581 1.00 29.88 ? 62 PHE B CB 1 ATOM 2594 C CG . PHE B 2 62 ? 48.810 23.516 -14.386 1.00 30.56 ? 62 PHE B CG 1 ATOM 2595 C CD1 . PHE B 2 62 ? 48.541 24.212 -13.211 1.00 30.14 ? 62 PHE B CD1 1 ATOM 2596 C CD2 . PHE B 2 62 ? 47.820 23.459 -15.373 1.00 28.21 ? 62 PHE B CD2 1 ATOM 2597 C CE1 . PHE B 2 62 ? 47.317 24.884 -13.035 1.00 33.24 ? 62 PHE B CE1 1 ATOM 2598 C CE2 . PHE B 2 62 ? 46.600 24.111 -15.201 1.00 30.02 ? 62 PHE B CE2 1 ATOM 2599 C CZ . PHE B 2 62 ? 46.342 24.824 -14.029 1.00 30.05 ? 62 PHE B CZ 1 ATOM 2600 N N . TYR B 2 63 ? 51.421 20.166 -15.718 1.00 30.98 ? 63 TYR B N 1 ATOM 2601 C CA . TYR B 2 63 ? 52.601 19.592 -16.299 1.00 31.63 ? 63 TYR B CA 1 ATOM 2602 C C . TYR B 2 63 ? 52.573 19.839 -17.783 1.00 32.01 ? 63 TYR B C 1 ATOM 2603 O O . TYR B 2 63 ? 51.525 20.125 -18.354 1.00 32.39 ? 63 TYR B O 1 ATOM 2604 C CB . TYR B 2 63 ? 52.688 18.106 -16.000 1.00 31.65 ? 63 TYR B CB 1 ATOM 2605 C CG . TYR B 2 63 ? 51.575 17.236 -16.562 1.00 31.31 ? 63 TYR B CG 1 ATOM 2606 C CD1 . TYR B 2 63 ? 51.611 16.789 -17.885 1.00 31.73 ? 63 TYR B CD1 1 ATOM 2607 C CD2 . TYR B 2 63 ? 50.523 16.819 -15.753 1.00 30.78 ? 63 TYR B CD2 1 ATOM 2608 C CE1 . TYR B 2 63 ? 50.621 15.952 -18.394 1.00 31.82 ? 63 TYR B CE1 1 ATOM 2609 C CE2 . TYR B 2 63 ? 49.524 15.986 -16.238 1.00 33.25 ? 63 TYR B CE2 1 ATOM 2610 C CZ . TYR B 2 63 ? 49.583 15.554 -17.564 1.00 35.78 ? 63 TYR B CZ 1 ATOM 2611 O OH . TYR B 2 63 ? 48.583 14.748 -18.056 1.00 39.43 ? 63 TYR B OH 1 ATOM 2612 N N . ILE B 2 64 ? 53.734 19.750 -18.405 1.00 32.36 ? 64 ILE B N 1 ATOM 2613 C CA . ILE B 2 64 ? 53.826 19.919 -19.830 1.00 32.62 ? 64 ILE B CA 1 ATOM 2614 C C . ILE B 2 64 ? 55.140 19.287 -20.290 1.00 32.58 ? 64 ILE B C 1 ATOM 2615 O O . ILE B 2 64 ? 56.134 19.279 -19.558 1.00 33.09 ? 64 ILE B O 1 ATOM 2616 C CB . ILE B 2 64 ? 53.703 21.427 -20.213 1.00 33.54 ? 64 ILE B CB 1 ATOM 2617 C CG1 . ILE B 2 64 ? 53.699 21.620 -21.727 1.00 34.20 ? 64 ILE B CG1 1 ATOM 2618 C CG2 . ILE B 2 64 ? 54.790 22.257 -19.516 1.00 33.09 ? 64 ILE B CG2 1 ATOM 2619 C CD1 . ILE B 2 64 ? 53.142 22.956 -22.156 1.00 36.83 ? 64 ILE B CD1 1 ATOM 2620 N N . LEU B 2 65 ? 55.124 18.756 -21.503 1.00 32.18 ? 65 LEU B N 1 ATOM 2621 C CA . LEU B 2 65 ? 56.281 18.125 -22.093 1.00 31.26 ? 65 LEU B CA 1 ATOM 2622 C C . LEU B 2 65 ? 56.786 18.947 -23.283 1.00 31.97 ? 65 LEU B C 1 ATOM 2623 O O . LEU B 2 65 ? 56.044 19.191 -24.244 1.00 32.36 ? 65 LEU B O 1 ATOM 2624 C CB . LEU B 2 65 ? 55.916 16.714 -22.560 1.00 31.14 ? 65 LEU B CB 1 ATOM 2625 C CG . LEU B 2 65 ? 57.044 15.989 -23.310 1.00 30.50 ? 65 LEU B CG 1 ATOM 2626 C CD1 . LEU B 2 65 ? 58.186 15.694 -22.354 1.00 30.49 ? 65 LEU B CD1 1 ATOM 2627 C CD2 . LEU B 2 65 ? 56.502 14.740 -23.923 1.00 27.91 ? 65 LEU B CD2 1 ATOM 2628 N N . ALA B 2 66 ? 58.044 19.374 -23.204 1.00 31.82 ? 66 ALA B N 1 ATOM 2629 C CA . ALA B 2 66 ? 58.711 20.000 -24.317 1.00 32.31 ? 66 ALA B CA 1 ATOM 2630 C C . ALA B 2 66 ? 59.617 18.921 -24.877 1.00 32.65 ? 66 ALA B C 1 ATOM 2631 O O . ALA B 2 66 ? 60.135 18.086 -24.119 1.00 32.45 ? 66 ALA B O 1 ATOM 2632 C CB . ALA B 2 66 ? 59.553 21.215 -23.855 1.00 32.34 ? 66 ALA B CB 1 ATOM 2633 N N . HIS B 2 67 ? 59.811 18.931 -26.192 1.00 33.18 ? 67 HIS B N 1 ATOM 2634 C CA . HIS B 2 67 ? 60.801 18.055 -26.793 1.00 34.16 ? 67 HIS B CA 1 ATOM 2635 C C . HIS B 2 67 ? 61.320 18.696 -28.065 1.00 35.93 ? 67 HIS B C 1 ATOM 2636 O O . HIS B 2 67 ? 60.667 19.577 -28.630 1.00 35.81 ? 67 HIS B O 1 ATOM 2637 C CB . HIS B 2 67 ? 60.229 16.646 -27.063 1.00 34.03 ? 67 HIS B CB 1 ATOM 2638 C CG . HIS B 2 67 ? 59.264 16.587 -28.203 1.00 35.70 ? 67 HIS B CG 1 ATOM 2639 N ND1 . HIS B 2 67 ? 57.948 16.974 -28.085 1.00 36.94 ? 67 HIS B ND1 1 ATOM 2640 C CD2 . HIS B 2 67 ? 59.421 16.174 -29.485 1.00 39.30 ? 67 HIS B CD2 1 ATOM 2641 C CE1 . HIS B 2 67 ? 57.337 16.814 -29.243 1.00 37.67 ? 67 HIS B CE1 1 ATOM 2642 N NE2 . HIS B 2 67 ? 58.206 16.323 -30.109 1.00 40.94 ? 67 HIS B NE2 1 ATOM 2643 N N . THR B 2 68 ? 62.501 18.244 -28.488 1.00 36.80 ? 68 THR B N 1 ATOM 2644 C CA . THR B 2 68 ? 63.167 18.713 -29.692 1.00 38.42 ? 68 THR B CA 1 ATOM 2645 C C . THR B 2 68 ? 64.143 17.634 -30.180 1.00 40.13 ? 68 THR B C 1 ATOM 2646 O O . THR B 2 68 ? 64.604 16.778 -29.389 1.00 38.18 ? 68 THR B O 1 ATOM 2647 C CB . THR B 2 68 ? 63.953 20.019 -29.412 1.00 39.03 ? 68 THR B CB 1 ATOM 2648 O OG1 . THR B 2 68 ? 64.333 20.640 -30.649 1.00 41.85 ? 68 THR B OG1 1 ATOM 2649 C CG2 . THR B 2 68 ? 65.190 19.764 -28.554 1.00 36.94 ? 68 THR B CG2 1 ATOM 2650 N N . GLU B 2 69 ? 64.439 17.675 -31.482 1.00 42.55 ? 69 GLU B N 1 ATOM 2651 C CA . GLU B 2 69 ? 65.450 16.823 -32.081 1.00 44.96 ? 69 GLU B CA 1 ATOM 2652 C C . GLU B 2 69 ? 66.811 17.321 -31.628 1.00 44.97 ? 69 GLU B C 1 ATOM 2653 O O . GLU B 2 69 ? 67.042 18.533 -31.563 1.00 45.44 ? 69 GLU B O 1 ATOM 2654 C CB . GLU B 2 69 ? 65.393 16.890 -33.612 1.00 47.93 ? 69 GLU B CB 1 ATOM 2655 C CG . GLU B 2 69 ? 64.103 16.379 -34.241 1.00 52.12 ? 69 GLU B CG 1 ATOM 2656 C CD . GLU B 2 69 ? 64.111 16.462 -35.773 1.00 60.55 ? 69 GLU B CD 1 ATOM 2657 O OE1 . GLU B 2 69 ? 63.206 15.841 -36.382 1.00 64.53 ? 69 GLU B OE1 1 ATOM 2658 O OE2 . GLU B 2 69 ? 65.009 17.128 -36.368 1.00 62.39 ? 69 GLU B OE2 1 ATOM 2659 N N . PHE B 2 70 ? 67.709 16.390 -31.317 1.00 44.61 ? 70 PHE B N 1 ATOM 2660 C CA . PHE B 2 70 ? 69.080 16.742 -30.984 1.00 44.73 ? 70 PHE B CA 1 ATOM 2661 C C . PHE B 2 70 ? 70.014 15.617 -31.364 1.00 45.91 ? 70 PHE B C 1 ATOM 2662 O O . PHE B 2 70 ? 69.608 14.459 -31.413 1.00 45.45 ? 70 PHE B O 1 ATOM 2663 C CB . PHE B 2 70 ? 69.237 17.111 -29.492 1.00 43.26 ? 70 PHE B CB 1 ATOM 2664 C CG . PHE B 2 70 ? 69.453 15.925 -28.550 1.00 42.04 ? 70 PHE B CG 1 ATOM 2665 C CD1 . PHE B 2 70 ? 70.546 15.914 -27.685 1.00 41.69 ? 70 PHE B CD1 1 ATOM 2666 C CD2 . PHE B 2 70 ? 68.544 14.865 -28.483 1.00 40.20 ? 70 PHE B CD2 1 ATOM 2667 C CE1 . PHE B 2 70 ? 70.747 14.863 -26.783 1.00 41.87 ? 70 PHE B CE1 1 ATOM 2668 C CE2 . PHE B 2 70 ? 68.746 13.800 -27.591 1.00 39.66 ? 70 PHE B CE2 1 ATOM 2669 C CZ . PHE B 2 70 ? 69.838 13.798 -26.736 1.00 39.28 ? 70 PHE B CZ 1 ATOM 2670 N N . THR B 2 71 ? 71.258 15.987 -31.657 1.00 47.68 ? 71 THR B N 1 ATOM 2671 C CA . THR B 2 71 ? 72.330 15.030 -31.870 1.00 49.03 ? 71 THR B CA 1 ATOM 2672 C C . THR B 2 71 ? 73.384 15.229 -30.785 1.00 49.13 ? 71 THR B C 1 ATOM 2673 O O . THR B 2 71 ? 74.131 16.210 -30.812 1.00 50.78 ? 71 THR B O 1 ATOM 2674 C CB . THR B 2 71 ? 72.935 15.173 -33.271 1.00 50.88 ? 71 THR B CB 1 ATOM 2675 O OG1 . THR B 2 71 ? 71.911 14.941 -34.243 1.00 51.34 ? 71 THR B OG1 1 ATOM 2676 C CG2 . THR B 2 71 ? 74.032 14.157 -33.478 1.00 52.36 ? 71 THR B CG2 1 ATOM 2677 N N . PRO B 2 72 ? 73.433 14.306 -29.813 1.00 48.77 ? 72 PRO B N 1 ATOM 2678 C CA . PRO B 2 72 ? 74.450 14.380 -28.764 1.00 49.33 ? 72 PRO B CA 1 ATOM 2679 C C . PRO B 2 72 ? 75.878 14.161 -29.310 1.00 51.60 ? 72 PRO B C 1 ATOM 2680 O O . PRO B 2 72 ? 76.107 13.324 -30.201 1.00 52.81 ? 72 PRO B O 1 ATOM 2681 C CB . PRO B 2 72 ? 74.048 13.258 -27.795 1.00 48.78 ? 72 PRO B CB 1 ATOM 2682 C CG . PRO B 2 72 ? 73.236 12.312 -28.620 1.00 48.74 ? 72 PRO B CG 1 ATOM 2683 C CD . PRO B 2 72 ? 72.540 13.141 -29.650 1.00 48.09 ? 72 PRO B CD 1 ATOM 2684 N N . THR B 2 73 ? 76.810 14.946 -28.782 1.00 52.27 ? 73 THR B N 1 ATOM 2685 C CA . THR B 2 73 ? 78.217 14.844 -29.101 1.00 54.15 ? 73 THR B CA 1 ATOM 2686 C C . THR B 2 73 ? 78.956 14.851 -27.766 1.00 55.09 ? 73 THR B C 1 ATOM 2687 O O . THR B 2 73 ? 78.342 15.028 -26.705 1.00 54.43 ? 73 THR B O 1 ATOM 2688 C CB . THR B 2 73 ? 78.695 16.056 -29.946 1.00 55.03 ? 73 THR B CB 1 ATOM 2689 O OG1 . THR B 2 73 ? 78.510 17.257 -29.194 1.00 54.71 ? 73 THR B OG1 1 ATOM 2690 C CG2 . THR B 2 73 ? 77.929 16.171 -31.265 1.00 54.05 ? 73 THR B CG2 1 ATOM 2691 N N . GLU B 2 74 ? 80.265 14.669 -27.820 1.00 57.15 ? 74 GLU B N 1 ATOM 2692 C CA . GLU B 2 74 ? 81.102 14.758 -26.636 1.00 58.94 ? 74 GLU B CA 1 ATOM 2693 C C . GLU B 2 74 ? 81.096 16.165 -25.999 1.00 59.28 ? 74 GLU B C 1 ATOM 2694 O O . GLU B 2 74 ? 81.176 16.306 -24.768 1.00 59.95 ? 74 GLU B O 1 ATOM 2695 C CB . GLU B 2 74 ? 82.533 14.322 -26.982 1.00 61.29 ? 74 GLU B CB 1 ATOM 2696 N N . THR B 2 75 ? 80.984 17.203 -26.826 1.00 58.89 ? 75 THR B N 1 ATOM 2697 C CA . THR B 2 75 ? 81.206 18.568 -26.338 1.00 60.02 ? 75 THR B CA 1 ATOM 2698 C C . THR B 2 75 ? 79.958 19.420 -26.071 1.00 57.83 ? 75 THR B C 1 ATOM 2699 O O . THR B 2 75 ? 80.004 20.310 -25.211 1.00 59.32 ? 75 THR B O 1 ATOM 2700 C CB . THR B 2 75 ? 82.158 19.354 -27.256 1.00 61.89 ? 75 THR B CB 1 ATOM 2701 O OG1 . THR B 2 75 ? 81.800 19.112 -28.619 1.00 61.46 ? 75 THR B OG1 1 ATOM 2702 C CG2 . THR B 2 75 ? 83.589 18.901 -27.029 1.00 65.68 ? 75 THR B CG2 1 ATOM 2703 N N . ASP B 2 76 ? 78.872 19.169 -26.804 1.00 54.51 ? 76 ASP B N 1 ATOM 2704 C CA . ASP B 2 76 ? 77.689 20.034 -26.741 1.00 52.14 ? 76 ASP B CA 1 ATOM 2705 C C . ASP B 2 76 ? 76.923 19.805 -25.458 1.00 50.68 ? 76 ASP B C 1 ATOM 2706 O O . ASP B 2 76 ? 76.771 18.666 -25.021 1.00 50.00 ? 76 ASP B O 1 ATOM 2707 C CB . ASP B 2 76 ? 76.745 19.786 -27.920 1.00 50.31 ? 76 ASP B CB 1 ATOM 2708 C CG . ASP B 2 76 ? 77.342 20.179 -29.258 1.00 52.19 ? 76 ASP B CG 1 ATOM 2709 O OD1 . ASP B 2 76 ? 77.998 21.248 -29.363 1.00 54.59 ? 76 ASP B OD1 1 ATOM 2710 O OD2 . ASP B 2 76 ? 77.135 19.412 -30.229 1.00 52.26 ? 76 ASP B OD2 1 ATOM 2711 N N . THR B 2 77 ? 76.420 20.879 -24.861 1.00 50.40 ? 77 THR B N 1 ATOM 2712 C CA . THR B 2 77 ? 75.563 20.733 -23.691 1.00 48.89 ? 77 THR B CA 1 ATOM 2713 C C . THR B 2 77 ? 74.112 21.065 -24.030 1.00 46.37 ? 77 THR B C 1 ATOM 2714 O O . THR B 2 77 ? 73.820 21.981 -24.813 1.00 46.66 ? 77 THR B O 1 ATOM 2715 C CB . THR B 2 77 ? 76.020 21.592 -22.490 1.00 50.84 ? 77 THR B CB 1 ATOM 2716 O OG1 . THR B 2 77 ? 75.718 22.962 -22.752 1.00 52.91 ? 77 THR B OG1 1 ATOM 2717 C CG2 . THR B 2 77 ? 77.536 21.438 -22.218 1.00 53.66 ? 77 THR B CG2 1 ATOM 2718 N N . TYR B 2 78 ? 73.218 20.320 -23.402 1.00 43.77 ? 78 TYR B N 1 ATOM 2719 C CA . TYR B 2 78 ? 71.787 20.503 -23.557 1.00 41.98 ? 78 TYR B CA 1 ATOM 2720 C C . TYR B 2 78 ? 71.195 20.748 -22.199 1.00 41.90 ? 78 TYR B C 1 ATOM 2721 O O . TYR B 2 78 ? 71.674 20.211 -21.186 1.00 42.74 ? 78 TYR B O 1 ATOM 2722 C CB . TYR B 2 78 ? 71.155 19.289 -24.230 1.00 39.47 ? 78 TYR B CB 1 ATOM 2723 C CG . TYR B 2 78 ? 71.647 19.139 -25.646 1.00 40.83 ? 78 TYR B CG 1 ATOM 2724 C CD1 . TYR B 2 78 ? 72.740 18.306 -25.955 1.00 41.13 ? 78 TYR B CD1 1 ATOM 2725 C CD2 . TYR B 2 78 ? 71.074 19.893 -26.676 1.00 41.30 ? 78 TYR B CD2 1 ATOM 2726 C CE1 . TYR B 2 78 ? 73.205 18.199 -27.267 1.00 42.26 ? 78 TYR B CE1 1 ATOM 2727 C CE2 . TYR B 2 78 ? 71.532 19.794 -27.988 1.00 42.15 ? 78 TYR B CE2 1 ATOM 2728 C CZ . TYR B 2 78 ? 72.592 18.947 -28.279 1.00 43.24 ? 78 TYR B CZ 1 ATOM 2729 O OH . TYR B 2 78 ? 73.018 18.866 -29.589 1.00 45.06 ? 78 TYR B OH 1 ATOM 2730 N N . ALA B 2 79 ? 70.178 21.600 -22.180 1.00 40.59 ? 79 ALA B N 1 ATOM 2731 C CA . ALA B 2 79 ? 69.583 22.043 -20.937 1.00 40.49 ? 79 ALA B CA 1 ATOM 2732 C C . ALA B 2 79 ? 68.156 22.475 -21.175 1.00 38.94 ? 79 ALA B C 1 ATOM 2733 O O . ALA B 2 79 ? 67.734 22.735 -22.309 1.00 38.48 ? 79 ALA B O 1 ATOM 2734 C CB . ALA B 2 79 ? 70.395 23.204 -20.328 1.00 42.95 ? 79 ALA B CB 1 ATOM 2735 N N . CYS B 2 80 ? 67.416 22.559 -20.088 1.00 38.40 ? 80 CYS B N 1 ATOM 2736 C CA . CYS B 2 80 ? 66.051 23.022 -20.142 1.00 37.67 ? 80 CYS B CA 1 ATOM 2737 C C . CYS B 2 80 ? 65.956 24.108 -19.102 1.00 39.25 ? 80 CYS B C 1 ATOM 2738 O O . CYS B 2 80 ? 66.320 23.879 -17.942 1.00 40.23 ? 80 CYS B O 1 ATOM 2739 C CB . CYS B 2 80 ? 65.112 21.863 -19.826 1.00 35.12 ? 80 CYS B CB 1 ATOM 2740 S SG . CYS B 2 80 ? 63.397 22.273 -20.011 1.00 36.24 ? 80 CYS B SG 1 ATOM 2741 N N . ARG B 2 81 ? 65.517 25.291 -19.536 1.00 40.02 ? 81 ARG B N 1 ATOM 2742 C CA . ARG B 2 81 ? 65.446 26.475 -18.688 1.00 42.28 ? 81 ARG B CA 1 ATOM 2743 C C . ARG B 2 81 ? 63.995 26.857 -18.439 1.00 41.28 ? 81 ARG B C 1 ATOM 2744 O O . ARG B 2 81 ? 63.195 26.916 -19.371 1.00 39.98 ? 81 ARG B O 1 ATOM 2745 C CB . ARG B 2 81 ? 66.222 27.661 -19.305 1.00 44.86 ? 81 ARG B CB 1 ATOM 2746 C CG . ARG B 2 81 ? 66.242 28.926 -18.438 1.00 48.37 ? 81 ARG B CG 1 ATOM 2747 C CD . ARG B 2 81 ? 67.369 29.936 -18.840 1.00 54.24 ? 81 ARG B CD 1 ATOM 2748 N NE . ARG B 2 81 ? 68.687 29.360 -18.570 1.00 57.29 ? 81 ARG B NE 1 ATOM 2749 C CZ . ARG B 2 81 ? 69.862 29.831 -19.000 1.00 60.90 ? 81 ARG B CZ 1 ATOM 2750 N NH1 . ARG B 2 81 ? 69.950 30.940 -19.745 1.00 61.70 ? 81 ARG B NH1 1 ATOM 2751 N NH2 . ARG B 2 81 ? 70.972 29.178 -18.660 1.00 61.19 ? 81 ARG B NH2 1 ATOM 2752 N N . VAL B 2 82 ? 63.672 27.131 -17.177 1.00 42.19 ? 82 VAL B N 1 ATOM 2753 C CA . VAL B 2 82 ? 62.293 27.389 -16.779 1.00 41.48 ? 82 VAL B CA 1 ATOM 2754 C C . VAL B 2 82 ? 62.137 28.656 -15.956 1.00 44.30 ? 82 VAL B C 1 ATOM 2755 O O . VAL B 2 82 ? 62.739 28.795 -14.889 1.00 46.15 ? 82 VAL B O 1 ATOM 2756 C CB . VAL B 2 82 ? 61.660 26.168 -16.021 1.00 39.93 ? 82 VAL B CB 1 ATOM 2757 C CG1 . VAL B 2 82 ? 60.261 26.515 -15.511 1.00 38.98 ? 82 VAL B CG1 1 ATOM 2758 C CG2 . VAL B 2 82 ? 61.597 24.949 -16.917 1.00 35.26 ? 82 VAL B CG2 1 ATOM 2759 N N . LYS B 2 83 ? 61.342 29.591 -16.477 1.00 45.37 ? 83 LYS B N 1 ATOM 2760 C CA . LYS B 2 83 ? 60.941 30.777 -15.713 1.00 48.19 ? 83 LYS B CA 1 ATOM 2761 C C . LYS B 2 83 ? 59.505 30.573 -15.229 1.00 46.76 ? 83 LYS B C 1 ATOM 2762 O O . LYS B 2 83 ? 58.629 30.199 -16.005 1.00 44.32 ? 83 LYS B O 1 ATOM 2763 C CB . LYS B 2 83 ? 61.062 32.057 -16.542 1.00 51.04 ? 83 LYS B CB 1 ATOM 2764 N N . HIS B 2 84 ? 59.303 30.779 -13.934 1.00 48.23 ? 84 HIS B N 1 ATOM 2765 C CA . HIS B 2 84 ? 58.007 30.620 -13.299 1.00 47.67 ? 84 HIS B CA 1 ATOM 2766 C C . HIS B 2 84 ? 57.937 31.555 -12.097 1.00 51.27 ? 84 HIS B C 1 ATOM 2767 O O . HIS B 2 84 ? 58.972 31.827 -11.465 1.00 53.87 ? 84 HIS B O 1 ATOM 2768 C CB . HIS B 2 84 ? 57.793 29.176 -12.860 1.00 45.17 ? 84 HIS B CB 1 ATOM 2769 C CG . HIS B 2 84 ? 56.390 28.898 -12.429 1.00 44.91 ? 84 HIS B CG 1 ATOM 2770 N ND1 . HIS B 2 84 ? 56.000 28.929 -11.107 1.00 46.65 ? 84 HIS B ND1 1 ATOM 2771 C CD2 . HIS B 2 84 ? 55.273 28.643 -13.147 1.00 41.94 ? 84 HIS B CD2 1 ATOM 2772 C CE1 . HIS B 2 84 ? 54.706 28.679 -11.028 1.00 44.81 ? 84 HIS B CE1 1 ATOM 2773 N NE2 . HIS B 2 84 ? 54.242 28.502 -12.252 1.00 43.93 ? 84 HIS B NE2 1 ATOM 2774 N N . ALA B 2 85 ? 56.740 32.056 -11.792 1.00 51.45 ? 85 ALA B N 1 ATOM 2775 C CA . ALA B 2 85 ? 56.589 33.086 -10.760 1.00 55.76 ? 85 ALA B CA 1 ATOM 2776 C C . ALA B 2 85 ? 56.954 32.590 -9.368 1.00 57.28 ? 85 ALA B C 1 ATOM 2777 O O . ALA B 2 85 ? 57.305 33.390 -8.503 1.00 61.08 ? 85 ALA B O 1 ATOM 2778 C CB . ALA B 2 85 ? 55.181 33.696 -10.771 1.00 55.98 ? 85 ALA B CB 1 ATOM 2779 N N . SER B 2 86 ? 56.892 31.268 -9.172 1.00 55.15 ? 86 SER B N 1 ATOM 2780 C CA . SER B 2 86 ? 57.258 30.627 -7.895 1.00 56.80 ? 86 SER B CA 1 ATOM 2781 C C . SER B 2 86 ? 58.753 30.704 -7.608 1.00 59.45 ? 86 SER B C 1 ATOM 2782 O O . SER B 2 86 ? 59.194 30.494 -6.471 1.00 62.59 ? 86 SER B O 1 ATOM 2783 C CB . SER B 2 86 ? 56.810 29.164 -7.872 1.00 53.59 ? 86 SER B CB 1 ATOM 2784 O OG . SER B 2 86 ? 57.467 28.418 -8.886 1.00 51.56 ? 86 SER B OG 1 ATOM 2785 N N . MET B 2 87 ? 59.529 31.024 -8.635 1.00 59.09 ? 87 MET B N 1 ATOM 2786 C CA . MET B 2 87 ? 60.983 31.089 -8.511 1.00 60.92 ? 87 MET B CA 1 ATOM 2787 C C . MET B 2 87 ? 61.466 32.498 -8.764 1.00 64.29 ? 87 MET B C 1 ATOM 2788 O O . MET B 2 87 ? 61.026 33.150 -9.718 1.00 63.54 ? 87 MET B O 1 ATOM 2789 C CB . MET B 2 87 ? 61.645 30.129 -9.500 1.00 57.59 ? 87 MET B CB 1 ATOM 2790 C CG . MET B 2 87 ? 61.284 28.687 -9.265 1.00 54.49 ? 87 MET B CG 1 ATOM 2791 S SD . MET B 2 87 ? 62.074 27.517 -10.388 1.00 54.10 ? 87 MET B SD 1 ATOM 2792 C CE . MET B 2 87 ? 61.434 28.009 -11.985 1.00 47.48 ? 87 MET B CE 1 ATOM 2793 N N . ALA B 2 88 ? 62.372 32.962 -7.902 1.00 68.44 ? 88 ALA B N 1 ATOM 2794 C CA . ALA B 2 88 ? 62.998 34.265 -8.075 1.00 72.49 ? 88 ALA B CA 1 ATOM 2795 C C . ALA B 2 88 ? 63.794 34.292 -9.376 1.00 70.99 ? 88 ALA B C 1 ATOM 2796 O O . ALA B 2 88 ? 63.797 35.295 -10.089 1.00 72.64 ? 88 ALA B O 1 ATOM 2797 C CB . ALA B 2 88 ? 63.893 34.601 -6.880 1.00 77.20 ? 88 ALA B CB 1 ATOM 2798 N N . GLU B 2 89 ? 64.445 33.174 -9.684 1.00 68.38 ? 89 GLU B N 1 ATOM 2799 C CA . GLU B 2 89 ? 65.347 33.088 -10.825 1.00 67.77 ? 89 GLU B CA 1 ATOM 2800 C C . GLU B 2 89 ? 64.975 31.904 -11.685 1.00 62.44 ? 89 GLU B C 1 ATOM 2801 O O . GLU B 2 89 ? 64.450 30.925 -11.170 1.00 60.35 ? 89 GLU B O 1 ATOM 2802 C CB . GLU B 2 89 ? 66.795 32.926 -10.341 1.00 70.95 ? 89 GLU B CB 1 ATOM 2803 C CG . GLU B 2 89 ? 67.354 34.135 -9.590 1.00 78.48 ? 89 GLU B CG 1 ATOM 2804 C CD . GLU B 2 89 ? 67.899 35.223 -10.511 1.00 83.74 ? 89 GLU B CD 1 ATOM 2805 O OE1 . GLU B 2 89 ? 68.330 36.284 -9.989 1.00 89.66 ? 89 GLU B OE1 1 ATOM 2806 O OE2 . GLU B 2 89 ? 67.917 35.019 -11.749 1.00 81.71 ? 89 GLU B OE2 1 ATOM 2807 N N . PRO B 2 90 ? 65.252 31.980 -13.002 1.00 60.92 ? 90 PRO B N 1 ATOM 2808 C CA . PRO B 2 90 ? 65.055 30.821 -13.866 1.00 56.54 ? 90 PRO B CA 1 ATOM 2809 C C . PRO B 2 90 ? 65.869 29.624 -13.381 1.00 55.54 ? 90 PRO B C 1 ATOM 2810 O O . PRO B 2 90 ? 66.999 29.783 -12.900 1.00 59.04 ? 90 PRO B O 1 ATOM 2811 C CB . PRO B 2 90 ? 65.581 31.302 -15.223 1.00 56.93 ? 90 PRO B CB 1 ATOM 2812 C CG . PRO B 2 90 ? 65.483 32.788 -15.161 1.00 60.41 ? 90 PRO B CG 1 ATOM 2813 C CD . PRO B 2 90 ? 65.795 33.131 -13.747 1.00 63.60 ? 90 PRO B CD 1 ATOM 2814 N N . LYS B 2 91 ? 65.274 28.446 -13.479 1.00 51.82 ? 91 LYS B N 1 ATOM 2815 C CA . LYS B 2 91 ? 65.923 27.196 -13.112 1.00 50.75 ? 91 LYS B CA 1 ATOM 2816 C C . LYS B 2 91 ? 66.358 26.507 -14.386 1.00 47.83 ? 91 LYS B C 1 ATOM 2817 O O . LYS B 2 91 ? 65.578 26.352 -15.328 1.00 44.60 ? 91 LYS B O 1 ATOM 2818 C CB . LYS B 2 91 ? 64.960 26.278 -12.348 1.00 49.41 ? 91 LYS B CB 1 ATOM 2819 C CG . LYS B 2 91 ? 65.626 25.131 -11.562 1.00 51.28 ? 91 LYS B CG 1 ATOM 2820 C CD . LYS B 2 91 ? 64.550 24.173 -10.982 1.00 51.81 ? 91 LYS B CD 1 ATOM 2821 N N . THR B 2 92 ? 67.620 26.108 -14.402 1.00 49.08 ? 92 THR B N 1 ATOM 2822 C CA . THR B 2 92 ? 68.197 25.392 -15.521 1.00 47.36 ? 92 THR B CA 1 ATOM 2823 C C . THR B 2 92 ? 68.585 24.000 -15.058 1.00 46.30 ? 92 THR B C 1 ATOM 2824 O O . THR B 2 92 ? 69.301 23.837 -14.071 1.00 48.74 ? 92 THR B O 1 ATOM 2825 C CB . THR B 2 92 ? 69.424 26.149 -16.087 1.00 49.84 ? 92 THR B CB 1 ATOM 2826 O OG1 . THR B 2 92 ? 69.025 27.472 -16.464 1.00 51.63 ? 92 THR B OG1 1 ATOM 2827 C CG2 . THR B 2 92 ? 69.997 25.436 -17.315 1.00 48.57 ? 92 THR B CG2 1 ATOM 2828 N N . VAL B 2 93 ? 68.086 23.000 -15.766 1.00 43.30 ? 93 VAL B N 1 ATOM 2829 C CA . VAL B 2 93 ? 68.478 21.624 -15.527 1.00 42.92 ? 93 VAL B CA 1 ATOM 2830 C C . VAL B 2 93 ? 69.166 21.138 -16.791 1.00 42.24 ? 93 VAL B C 1 ATOM 2831 O O . VAL B 2 93 ? 68.586 21.212 -17.875 1.00 39.95 ? 93 VAL B O 1 ATOM 2832 C CB . VAL B 2 93 ? 67.267 20.720 -15.159 1.00 40.92 ? 93 VAL B CB 1 ATOM 2833 C CG1 . VAL B 2 93 ? 67.654 19.246 -15.229 1.00 40.17 ? 93 VAL B CG1 1 ATOM 2834 C CG2 . VAL B 2 93 ? 66.757 21.059 -13.764 1.00 42.36 ? 93 VAL B CG2 1 ATOM 2835 N N . TYR B 2 94 ? 70.410 20.670 -16.638 1.00 44.52 ? 94 TYR B N 1 ATOM 2836 C CA . TYR B 2 94 ? 71.207 20.155 -17.739 1.00 44.83 ? 94 TYR B CA 1 ATOM 2837 C C . TYR B 2 94 ? 70.933 18.682 -17.998 1.00 44.14 ? 94 TYR B C 1 ATOM 2838 O O . TYR B 2 94 ? 70.770 17.887 -17.070 1.00 44.28 ? 94 TYR B O 1 ATOM 2839 C CB . TYR B 2 94 ? 72.699 20.353 -17.459 1.00 47.69 ? 94 TYR B CB 1 ATOM 2840 C CG . TYR B 2 94 ? 73.122 21.797 -17.505 1.00 50.47 ? 94 TYR B CG 1 ATOM 2841 C CD1 . TYR B 2 94 ? 73.072 22.597 -16.358 1.00 53.91 ? 94 TYR B CD1 1 ATOM 2842 C CD2 . TYR B 2 94 ? 73.554 22.376 -18.700 1.00 51.35 ? 94 TYR B CD2 1 ATOM 2843 C CE1 . TYR B 2 94 ? 73.442 23.940 -16.399 1.00 57.67 ? 94 TYR B CE1 1 ATOM 2844 C CE2 . TYR B 2 94 ? 73.929 23.714 -18.755 1.00 55.51 ? 94 TYR B CE2 1 ATOM 2845 C CZ . TYR B 2 94 ? 73.871 24.489 -17.604 1.00 58.32 ? 94 TYR B CZ 1 ATOM 2846 O OH . TYR B 2 94 ? 74.253 25.808 -17.659 1.00 62.02 ? 94 TYR B OH 1 ATOM 2847 N N . TRP B 2 95 ? 70.900 18.325 -19.275 1.00 43.65 ? 95 TRP B N 1 ATOM 2848 C CA . TRP B 2 95 ? 70.890 16.939 -19.666 1.00 44.01 ? 95 TRP B CA 1 ATOM 2849 C C . TRP B 2 95 ? 72.202 16.320 -19.255 1.00 47.93 ? 95 TRP B C 1 ATOM 2850 O O . TRP B 2 95 ? 73.281 16.842 -19.552 1.00 49.10 ? 95 TRP B O 1 ATOM 2851 C CB . TRP B 2 95 ? 70.722 16.785 -21.173 1.00 42.44 ? 95 TRP B CB 1 ATOM 2852 C CG . TRP B 2 95 ? 70.684 15.342 -21.632 1.00 40.49 ? 95 TRP B CG 1 ATOM 2853 C CD1 . TRP B 2 95 ? 69.804 14.376 -21.227 1.00 39.45 ? 95 TRP B CD1 1 ATOM 2854 C CD2 . TRP B 2 95 ? 71.564 14.715 -22.573 1.00 40.05 ? 95 TRP B CD2 1 ATOM 2855 N NE1 . TRP B 2 95 ? 70.080 13.189 -21.859 1.00 41.17 ? 95 TRP B NE1 1 ATOM 2856 C CE2 . TRP B 2 95 ? 71.150 13.369 -22.698 1.00 40.44 ? 95 TRP B CE2 1 ATOM 2857 C CE3 . TRP B 2 95 ? 72.663 15.159 -23.324 1.00 40.25 ? 95 TRP B CE3 1 ATOM 2858 C CZ2 . TRP B 2 95 ? 71.801 12.456 -23.544 1.00 41.07 ? 95 TRP B CZ2 1 ATOM 2859 C CZ3 . TRP B 2 95 ? 73.310 14.250 -24.175 1.00 41.49 ? 95 TRP B CZ3 1 ATOM 2860 C CH2 . TRP B 2 95 ? 72.876 12.916 -24.276 1.00 41.63 ? 95 TRP B CH2 1 ATOM 2861 N N . ASP B 2 96 ? 72.080 15.214 -18.541 1.00 50.53 ? 96 ASP B N 1 ATOM 2862 C CA . ASP B 2 96 ? 73.202 14.386 -18.176 1.00 55.14 ? 96 ASP B CA 1 ATOM 2863 C C . ASP B 2 96 ? 72.850 12.953 -18.581 1.00 55.99 ? 96 ASP B C 1 ATOM 2864 O O . ASP B 2 96 ? 71.971 12.330 -17.979 1.00 55.48 ? 96 ASP B O 1 ATOM 2865 C CB . ASP B 2 96 ? 73.463 14.495 -16.674 1.00 57.52 ? 96 ASP B CB 1 ATOM 2866 C CG . ASP B 2 96 ? 74.686 13.726 -16.248 1.00 62.03 ? 96 ASP B CG 1 ATOM 2867 O OD1 . ASP B 2 96 ? 75.103 12.812 -16.996 1.00 62.10 ? 96 ASP B OD1 1 ATOM 2868 O OD2 . ASP B 2 96 ? 75.232 14.032 -15.163 1.00 67.30 ? 96 ASP B OD2 1 ATOM 2869 N N . ARG B 2 97 ? 73.540 12.448 -19.603 1.00 58.00 ? 97 ARG B N 1 ATOM 2870 C CA . ARG B 2 97 ? 73.245 11.128 -20.175 1.00 59.91 ? 97 ARG B CA 1 ATOM 2871 C C . ARG B 2 97 ? 73.422 9.984 -19.180 1.00 63.16 ? 97 ARG B C 1 ATOM 2872 O O . ARG B 2 97 ? 72.625 9.040 -19.168 1.00 63.59 ? 97 ARG B O 1 ATOM 2873 C CB . ARG B 2 97 ? 74.074 10.868 -21.439 1.00 60.40 ? 97 ARG B CB 1 ATOM 2874 C CG . ARG B 2 97 ? 75.588 10.822 -21.252 1.00 64.49 ? 97 ARG B CG 1 ATOM 2875 C CD . ARG B 2 97 ? 76.260 10.535 -22.579 1.00 67.28 ? 97 ARG B CD 1 ATOM 2876 N NE . ARG B 2 97 ? 76.413 11.745 -23.392 1.00 67.72 ? 97 ARG B NE 1 ATOM 2877 C CZ . ARG B 2 97 ? 76.554 11.758 -24.717 1.00 67.56 ? 97 ARG B CZ 1 ATOM 2878 N NH1 . ARG B 2 97 ? 76.546 10.625 -25.419 1.00 67.16 ? 97 ARG B NH1 1 ATOM 2879 N NH2 . ARG B 2 97 ? 76.693 12.919 -25.348 1.00 67.27 ? 97 ARG B NH2 1 ATOM 2880 N N . ASP B 2 98 ? 74.465 10.084 -18.355 1.00 66.58 ? 98 ASP B N 1 ATOM 2881 C CA . ASP B 2 98 ? 74.744 9.114 -17.303 1.00 70.48 ? 98 ASP B CA 1 ATOM 2882 C C . ASP B 2 98 ? 73.610 9.033 -16.274 1.00 71.06 ? 98 ASP B C 1 ATOM 2883 O O . ASP B 2 98 ? 73.397 7.982 -15.665 1.00 73.06 ? 98 ASP B O 1 ATOM 2884 C CB . ASP B 2 98 ? 76.056 9.461 -16.599 1.00 73.51 ? 98 ASP B CB 1 ATOM 2885 C CG . ASP B 2 98 ? 77.276 9.242 -17.479 1.00 74.90 ? 98 ASP B CG 1 ATOM 2886 O OD1 . ASP B 2 98 ? 77.561 8.077 -17.843 1.00 77.39 ? 98 ASP B OD1 1 ATOM 2887 O OD2 . ASP B 2 98 ? 77.964 10.237 -17.783 1.00 74.19 ? 98 ASP B OD2 1 ATOM 2888 N N . MET B 2 99 ? 72.895 10.148 -16.095 1.00 69.61 ? 99 MET B N 1 ATOM 2889 C CA . MET B 2 99 ? 71.789 10.245 -15.145 1.00 70.23 ? 99 MET B CA 1 ATOM 2890 C C . MET B 2 99 ? 70.528 9.614 -15.731 1.00 68.22 ? 99 MET B C 1 ATOM 2891 O O . MET B 2 99 ? 69.533 9.430 -15.030 1.00 68.31 ? 99 MET B O 1 ATOM 2892 C CB . MET B 2 99 ? 71.528 11.714 -14.772 1.00 69.35 ? 99 MET B CB 1 ATOM 2893 C CG . MET B 2 99 ? 72.615 12.361 -13.906 1.00 73.40 ? 99 MET B CG 1 ATOM 2894 S SD . MET B 2 99 ? 72.108 12.793 -12.228 1.00 78.76 ? 99 MET B SD 1 ATOM 2895 C CE . MET B 2 99 ? 70.970 14.154 -12.548 1.00 75.42 ? 99 MET B CE 1 ATOM 2896 N N . THR C 3 3 ? 21.859 44.846 -31.813 1.00 48.91 ? 1 THR C N 1 ATOM 2897 C CA . THR C 3 3 ? 20.400 44.666 -31.502 1.00 45.78 ? 1 THR C CA 1 ATOM 2898 C C . THR C 3 3 ? 19.936 43.238 -31.778 1.00 43.44 ? 1 THR C C 1 ATOM 2899 O O . THR C 3 3 ? 19.588 42.846 -32.907 1.00 43.92 ? 1 THR C O 1 ATOM 2900 C CB . THR C 3 3 ? 19.509 45.656 -32.256 1.00 47.28 ? 1 THR C CB 1 ATOM 2901 O OG1 . THR C 3 3 ? 18.129 45.255 -32.097 1.00 45.18 ? 1 THR C OG1 1 ATOM 2902 C CG2 . THR C 3 3 ? 19.923 45.710 -33.754 1.00 49.51 ? 1 THR C CG2 1 ATOM 2903 N N . GLN C 3 4 ? 19.880 42.483 -30.701 1.00 40.20 ? 2 GLN C N 1 ATOM 2904 C CA . GLN C 3 4 ? 19.736 41.079 -30.806 1.00 38.65 ? 2 GLN C CA 1 ATOM 2905 C C . GLN C 3 4 ? 18.297 40.639 -30.659 1.00 35.46 ? 2 GLN C C 1 ATOM 2906 O O . GLN C 3 4 ? 18.009 39.445 -30.721 1.00 34.25 ? 2 GLN C O 1 ATOM 2907 C CB . GLN C 3 4 ? 20.601 40.449 -29.726 1.00 39.32 ? 2 GLN C CB 1 ATOM 2908 C CG . GLN C 3 4 ? 22.074 40.776 -29.851 1.00 43.47 ? 2 GLN C CG 1 ATOM 2909 C CD . GLN C 3 4 ? 22.815 40.261 -28.647 1.00 49.07 ? 2 GLN C CD 1 ATOM 2910 O OE1 . GLN C 3 4 ? 23.016 39.052 -28.503 1.00 51.56 ? 2 GLN C OE1 1 ATOM 2911 N NE2 . GLN C 3 4 ? 23.199 41.167 -27.750 1.00 50.10 ? 2 GLN C NE2 1 ATOM 2912 N N . VAL C 3 5 ? 17.407 41.602 -30.432 1.00 33.24 ? 3 VAL C N 1 ATOM 2913 C CA . VAL C 3 5 ? 15.992 41.327 -30.247 1.00 31.02 ? 3 VAL C CA 1 ATOM 2914 C C . VAL C 3 5 ? 15.147 42.251 -31.131 1.00 31.66 ? 3 VAL C C 1 ATOM 2915 O O . VAL C 3 5 ? 15.182 43.474 -30.979 1.00 31.49 ? 3 VAL C O 1 ATOM 2916 C CB . VAL C 3 5 ? 15.576 41.487 -28.763 1.00 30.28 ? 3 VAL C CB 1 ATOM 2917 C CG1 . VAL C 3 5 ? 14.089 41.163 -28.590 1.00 27.26 ? 3 VAL C CG1 1 ATOM 2918 C CG2 . VAL C 3 5 ? 16.421 40.560 -27.884 1.00 27.81 ? 3 VAL C CG2 1 ATOM 2919 N N . GLU C 3 6 ? 14.398 41.655 -32.057 1.00 30.97 ? 4 GLU C N 1 ATOM 2920 C CA . GLU C 3 6 ? 13.630 42.414 -33.040 1.00 31.98 ? 4 GLU C CA 1 ATOM 2921 C C . GLU C 3 6 ? 12.147 42.063 -32.988 1.00 29.13 ? 4 GLU C C 1 ATOM 2922 O O . GLU C 3 6 ? 11.780 40.915 -32.885 1.00 28.49 ? 4 GLU C O 1 ATOM 2923 C CB . GLU C 3 6 ? 14.189 42.169 -34.440 1.00 34.08 ? 4 GLU C CB 1 ATOM 2924 C CG . GLU C 3 6 ? 15.629 42.635 -34.594 1.00 41.97 ? 4 GLU C CG 1 ATOM 2925 C CD . GLU C 3 6 ? 15.780 44.151 -34.446 1.00 50.05 ? 4 GLU C CD 1 ATOM 2926 O OE1 . GLU C 3 6 ? 14.749 44.871 -34.335 1.00 52.06 ? 4 GLU C OE1 1 ATOM 2927 O OE2 . GLU C 3 6 ? 16.935 44.631 -34.457 1.00 54.94 ? 4 GLU C OE2 1 ATOM 2928 N N . GLN C 3 7 ? 11.301 43.074 -33.021 1.00 28.26 ? 5 GLN C N 1 ATOM 2929 C CA . GLN C 3 7 ? 9.864 42.866 -32.923 1.00 26.10 ? 5 GLN C CA 1 ATOM 2930 C C . GLN C 3 7 ? 9.232 43.394 -34.173 1.00 26.52 ? 5 GLN C C 1 ATOM 2931 O O . GLN C 3 7 ? 9.754 44.309 -34.799 1.00 27.36 ? 5 GLN C O 1 ATOM 2932 C CB . GLN C 3 7 ? 9.291 43.536 -31.691 1.00 25.06 ? 5 GLN C CB 1 ATOM 2933 C CG . GLN C 3 7 ? 9.846 42.935 -30.403 1.00 24.95 ? 5 GLN C CG 1 ATOM 2934 C CD . GLN C 3 7 ? 9.202 43.515 -29.166 1.00 26.10 ? 5 GLN C CD 1 ATOM 2935 O OE1 . GLN C 3 7 ? 9.871 44.128 -28.335 1.00 27.82 ? 5 GLN C OE1 1 ATOM 2936 N NE2 . GLN C 3 7 ? 7.898 43.333 -29.039 1.00 26.81 ? 5 GLN C NE2 1 ATOM 2937 N N . SER C 3 8 ? 8.134 42.757 -34.553 1.00 25.82 ? 6 SER C N 1 ATOM 2938 C CA . SER C 3 8 ? 7.385 43.095 -35.724 1.00 26.52 ? 6 SER C CA 1 ATOM 2939 C C . SER C 3 8 ? 5.951 42.725 -35.388 1.00 26.37 ? 6 SER C C 1 ATOM 2940 O O . SER C 3 8 ? 5.720 41.756 -34.664 1.00 26.04 ? 6 SER C O 1 ATOM 2941 C CB . SER C 3 8 ? 7.881 42.292 -36.930 1.00 27.62 ? 6 SER C CB 1 ATOM 2942 O OG . SER C 3 8 ? 7.398 42.865 -38.142 1.00 28.97 ? 6 SER C OG 1 ATOM 2943 N N . PRO C 3 9 ? 4.979 43.525 -35.863 1.00 26.85 ? 7 PRO C N 1 ATOM 2944 C CA . PRO C 3 9 ? 5.200 44.800 -36.569 1.00 27.46 ? 7 PRO C CA 1 ATOM 2945 C C . PRO C 3 9 ? 5.749 45.838 -35.604 1.00 26.77 ? 7 PRO C C 1 ATOM 2946 O O . PRO C 3 9 ? 5.702 45.612 -34.394 1.00 25.81 ? 7 PRO C O 1 ATOM 2947 C CB . PRO C 3 9 ? 3.791 45.224 -36.986 1.00 27.83 ? 7 PRO C CB 1 ATOM 2948 C CG . PRO C 3 9 ? 2.920 44.049 -36.763 1.00 28.03 ? 7 PRO C CG 1 ATOM 2949 C CD . PRO C 3 9 ? 3.552 43.218 -35.695 1.00 25.90 ? 7 PRO C CD 1 ATOM 2950 N N . GLN C 3 10 ? 6.262 46.955 -36.118 1.00 27.39 ? 8 GLN C N 1 ATOM 2951 C CA . GLN C 3 10 ? 6.636 48.084 -35.266 1.00 27.98 ? 8 GLN C CA 1 ATOM 2952 C C . GLN C 3 10 ? 5.387 48.645 -34.581 1.00 27.44 ? 8 GLN C C 1 ATOM 2953 O O . GLN C 3 10 ? 5.391 48.937 -33.392 1.00 26.60 ? 8 GLN C O 1 ATOM 2954 C CB . GLN C 3 10 ? 7.336 49.200 -36.079 1.00 29.72 ? 8 GLN C CB 1 ATOM 2955 N N . SER C 3 11 ? 4.311 48.776 -35.344 1.00 27.53 ? 9 SER C N 1 ATOM 2956 C CA . SER C 3 11 ? 3.052 49.216 -34.796 1.00 27.77 ? 9 SER C CA 1 ATOM 2957 C C . SER C 3 11 ? 1.894 48.688 -35.643 1.00 27.96 ? 9 SER C C 1 ATOM 2958 O O . SER C 3 11 ? 2.057 48.393 -36.820 1.00 28.57 ? 9 SER C O 1 ATOM 2959 C CB . SER C 3 11 ? 3.014 50.743 -34.712 1.00 28.88 ? 9 SER C CB 1 ATOM 2960 O OG . SER C 3 11 ? 3.000 51.299 -36.014 1.00 30.58 ? 9 SER C OG 1 ATOM 2961 N N . LEU C 3 12 ? 0.729 48.546 -35.026 1.00 27.57 ? 10 LEU C N 1 ATOM 2962 C CA . LEU C 3 12 ? -0.464 48.134 -35.759 1.00 27.64 ? 10 LEU C CA 1 ATOM 2963 C C . LEU C 3 12 ? -1.714 48.720 -35.118 1.00 26.91 ? 10 LEU C C 1 ATOM 2964 O O . LEU C 3 12 ? -1.726 49.049 -33.926 1.00 26.95 ? 10 LEU C O 1 ATOM 2965 C CB . LEU C 3 12 ? -0.558 46.618 -35.879 1.00 26.41 ? 10 LEU C CB 1 ATOM 2966 C CG . LEU C 3 12 ? -0.863 45.814 -34.612 1.00 28.06 ? 10 LEU C CG 1 ATOM 2967 C CD1 . LEU C 3 12 ? -1.317 44.408 -34.956 1.00 28.36 ? 10 LEU C CD1 1 ATOM 2968 C CD2 . LEU C 3 12 ? 0.346 45.757 -33.678 1.00 26.15 ? 10 LEU C CD2 1 ATOM 2969 N N . VAL C 3 13 ? -2.744 48.884 -35.932 1.00 26.66 ? 11 VAL C N 1 ATOM 2970 C CA . VAL C 3 13 ? -4.015 49.393 -35.483 1.00 26.24 ? 11 VAL C CA 1 ATOM 2971 C C . VAL C 3 13 ? -5.033 48.271 -35.742 1.00 27.03 ? 11 VAL C C 1 ATOM 2972 O O . VAL C 3 13 ? -5.128 47.749 -36.858 1.00 27.08 ? 11 VAL C O 1 ATOM 2973 C CB . VAL C 3 13 ? -4.394 50.675 -36.300 1.00 27.45 ? 11 VAL C CB 1 ATOM 2974 C CG1 . VAL C 3 13 ? -5.754 51.199 -35.904 1.00 26.12 ? 11 VAL C CG1 1 ATOM 2975 C CG2 . VAL C 3 13 ? -3.323 51.772 -36.151 1.00 25.65 ? 11 VAL C CG2 1 ATOM 2976 N N . VAL C 3 14 ? -5.788 47.891 -34.718 1.00 27.21 ? 12 VAL C N 1 ATOM 2977 C CA . VAL C 3 14 ? -6.854 46.923 -34.889 1.00 27.95 ? 12 VAL C CA 1 ATOM 2978 C C . VAL C 3 14 ? -8.173 47.431 -34.286 1.00 29.94 ? 12 VAL C C 1 ATOM 2979 O O . VAL C 3 14 ? -8.204 48.333 -33.424 1.00 30.69 ? 12 VAL C O 1 ATOM 2980 C CB . VAL C 3 14 ? -6.493 45.510 -34.290 1.00 27.36 ? 12 VAL C CB 1 ATOM 2981 C CG1 . VAL C 3 14 ? -5.076 45.061 -34.714 1.00 26.19 ? 12 VAL C CG1 1 ATOM 2982 C CG2 . VAL C 3 14 ? -6.614 45.506 -32.790 1.00 26.44 ? 12 VAL C CG2 1 ATOM 2983 N N . ARG C 3 15 ? -9.259 46.817 -34.716 1.00 30.80 ? 13 ARG C N 1 ATOM 2984 C CA . ARG C 3 15 ? -10.567 47.123 -34.179 1.00 33.36 ? 13 ARG C CA 1 ATOM 2985 C C . ARG C 3 15 ? -10.892 46.140 -33.066 1.00 33.65 ? 13 ARG C C 1 ATOM 2986 O O . ARG C 3 15 ? -10.574 44.946 -33.184 1.00 33.46 ? 13 ARG C O 1 ATOM 2987 C CB . ARG C 3 15 ? -11.619 47.049 -35.296 1.00 34.02 ? 13 ARG C CB 1 ATOM 2988 C CG . ARG C 3 15 ? -11.541 48.231 -36.267 1.00 37.40 ? 13 ARG C CG 1 ATOM 2989 C CD . ARG C 3 15 ? -12.598 48.143 -37.374 1.00 44.04 ? 13 ARG C CD 1 ATOM 2990 N NE . ARG C 3 15 ? -12.366 46.942 -38.166 1.00 47.97 ? 13 ARG C NE 1 ATOM 2991 C CZ . ARG C 3 15 ? -12.883 46.689 -39.358 1.00 50.30 ? 13 ARG C CZ 1 ATOM 2992 N NH1 . ARG C 3 15 ? -13.695 47.564 -39.943 1.00 51.93 ? 13 ARG C NH1 1 ATOM 2993 N NH2 . ARG C 3 15 ? -12.572 45.546 -39.966 1.00 51.24 ? 13 ARG C NH2 1 ATOM 2994 N N . GLN C 3 16 ? -11.483 46.649 -31.982 1.00 34.23 ? 14 GLN C N 1 ATOM 2995 C CA . GLN C 3 16 ? -11.956 45.824 -30.873 1.00 35.22 ? 14 GLN C CA 1 ATOM 2996 C C . GLN C 3 16 ? -12.641 44.521 -31.326 1.00 35.74 ? 14 GLN C C 1 ATOM 2997 O O . GLN C 3 16 ? -13.520 44.523 -32.197 1.00 36.16 ? 14 GLN C O 1 ATOM 2998 C CB . GLN C 3 16 ? -12.947 46.630 -30.022 1.00 37.24 ? 14 GLN C CB 1 ATOM 2999 C CG . GLN C 3 16 ? -13.598 45.822 -28.896 1.00 40.77 ? 14 GLN C CG 1 ATOM 3000 C CD . GLN C 3 16 ? -14.798 46.511 -28.261 1.00 46.07 ? 14 GLN C CD 1 ATOM 3001 O OE1 . GLN C 3 16 ? -14.874 47.749 -28.185 1.00 45.70 ? 14 GLN C OE1 1 ATOM 3002 N NE2 . GLN C 3 16 ? -15.749 45.702 -27.799 1.00 47.13 ? 14 GLN C NE2 1 ATOM 3003 N N . GLY C 3 17 ? -12.241 43.414 -30.710 1.00 35.15 ? 15 GLY C N 1 ATOM 3004 C CA . GLY C 3 17 ? -12.813 42.122 -31.019 1.00 34.94 ? 15 GLY C CA 1 ATOM 3005 C C . GLY C 3 17 ? -11.963 41.351 -32.005 1.00 34.04 ? 15 GLY C C 1 ATOM 3006 O O . GLY C 3 17 ? -12.148 40.160 -32.169 1.00 33.84 ? 15 GLY C O 1 ATOM 3007 N N . GLU C 3 18 ? -11.037 42.028 -32.681 1.00 33.02 ? 16 GLU C N 1 ATOM 3008 C CA . GLU C 3 18 ? -10.136 41.317 -33.600 1.00 32.49 ? 16 GLU C CA 1 ATOM 3009 C C . GLU C 3 18 ? -8.993 40.710 -32.797 1.00 31.94 ? 16 GLU C C 1 ATOM 3010 O O . GLU C 3 18 ? -8.655 41.211 -31.718 1.00 30.48 ? 16 GLU C O 1 ATOM 3011 C CB . GLU C 3 18 ? -9.648 42.222 -34.758 1.00 31.88 ? 16 GLU C CB 1 ATOM 3012 C CG . GLU C 3 18 ? -10.820 42.783 -35.618 1.00 33.09 ? 16 GLU C CG 1 ATOM 3013 C CD . GLU C 3 18 ? -10.433 43.867 -36.663 1.00 37.62 ? 16 GLU C CD 1 ATOM 3014 O OE1 . GLU C 3 18 ? -9.316 44.464 -36.585 1.00 36.61 ? 16 GLU C OE1 1 ATOM 3015 O OE2 . GLU C 3 18 ? -11.283 44.130 -37.576 1.00 39.04 ? 16 GLU C OE2 1 ATOM 3016 N N . ASN C 3 19 ? -8.455 39.596 -33.291 1.00 32.53 ? 17 ASN C N 1 ATOM 3017 C CA . ASN C 3 19 ? -7.240 38.987 -32.758 1.00 32.46 ? 17 ASN C CA 1 ATOM 3018 C C . ASN C 3 19 ? -6.054 39.631 -33.421 1.00 32.40 ? 17 ASN C C 1 ATOM 3019 O O . ASN C 3 19 ? -6.174 40.148 -34.530 1.00 34.07 ? 17 ASN C O 1 ATOM 3020 C CB . ASN C 3 19 ? -7.201 37.497 -33.080 1.00 33.33 ? 17 ASN C CB 1 ATOM 3021 C CG . ASN C 3 19 ? -8.496 36.781 -32.708 1.00 36.09 ? 17 ASN C CG 1 ATOM 3022 O OD1 . ASN C 3 19 ? -9.167 37.128 -31.725 1.00 36.81 ? 17 ASN C OD1 1 ATOM 3023 N ND2 . ASN C 3 19 ? -8.872 35.801 -33.514 1.00 37.42 ? 17 ASN C ND2 1 ATOM 3024 N N . CYS C 3 20 ? -4.906 39.613 -32.765 1.00 31.44 ? 18 CYS C N 1 ATOM 3025 C CA . CYS C 3 20 ? -3.685 39.963 -33.440 1.00 31.62 ? 18 CYS C CA 1 ATOM 3026 C C . CYS C 3 20 ? -2.522 39.098 -32.945 1.00 31.32 ? 18 CYS C C 1 ATOM 3027 O O . CYS C 3 20 ? -2.604 38.445 -31.900 1.00 31.57 ? 18 CYS C O 1 ATOM 3028 C CB . CYS C 3 20 ? -3.364 41.451 -33.264 1.00 30.76 ? 18 CYS C CB 1 ATOM 3029 S SG . CYS C 3 20 ? -3.085 41.913 -31.571 1.00 31.47 ? 18 CYS C SG 1 ATOM 3030 N N . VAL C 3 21 ? -1.437 39.130 -33.708 1.00 31.27 ? 19 VAL C N 1 ATOM 3031 C CA . VAL C 3 21 ? -0.260 38.316 -33.461 1.00 31.22 ? 19 VAL C CA 1 ATOM 3032 C C . VAL C 3 21 ? 0.933 39.257 -33.505 1.00 30.26 ? 19 VAL C C 1 ATOM 3033 O O . VAL C 3 21 ? 1.087 40.050 -34.444 1.00 31.03 ? 19 VAL C O 1 ATOM 3034 C CB . VAL C 3 21 ? -0.128 37.223 -34.548 1.00 32.67 ? 19 VAL C CB 1 ATOM 3035 C CG1 . VAL C 3 21 ? 1.094 36.366 -34.320 1.00 32.70 ? 19 VAL C CG1 1 ATOM 3036 C CG2 . VAL C 3 21 ? -1.379 36.344 -34.545 1.00 35.34 ? 19 VAL C CG2 1 ATOM 3037 N N . LEU C 3 22 ? 1.753 39.202 -32.474 1.00 28.66 ? 20 LEU C N 1 ATOM 3038 C CA . LEU C 3 22 ? 2.960 40.004 -32.424 1.00 27.65 ? 20 LEU C CA 1 ATOM 3039 C C . LEU C 3 22 ? 4.139 39.027 -32.446 1.00 27.37 ? 20 LEU C C 1 ATOM 3040 O O . LEU C 3 22 ? 4.061 37.934 -31.893 1.00 27.49 ? 20 LEU C O 1 ATOM 3041 C CB . LEU C 3 22 ? 2.961 40.843 -31.147 1.00 26.51 ? 20 LEU C CB 1 ATOM 3042 C CG . LEU C 3 22 ? 2.076 42.097 -31.037 1.00 29.75 ? 20 LEU C CG 1 ATOM 3043 C CD1 . LEU C 3 22 ? 0.776 42.041 -31.829 1.00 30.41 ? 20 LEU C CD1 1 ATOM 3044 C CD2 . LEU C 3 22 ? 1.812 42.525 -29.579 1.00 25.81 ? 20 LEU C CD2 1 ATOM 3045 N N A GLN C 3 23 ? 5.246 39.457 -33.021 0.50 27.10 ? 21 GLN C N 1 ATOM 3046 N N B GLN C 3 23 ? 5.219 39.419 -33.107 0.50 27.12 ? 21 GLN C N 1 ATOM 3047 C CA A GLN C 3 23 ? 6.341 38.555 -33.315 0.50 27.75 ? 21 GLN C CA 1 ATOM 3048 C CA B GLN C 3 23 ? 6.351 38.523 -33.313 0.50 27.62 ? 21 GLN C CA 1 ATOM 3049 C C A GLN C 3 23 ? 7.633 39.071 -32.687 0.50 27.15 ? 21 GLN C C 1 ATOM 3050 C C B GLN C 3 23 ? 7.587 39.063 -32.610 0.50 27.00 ? 21 GLN C C 1 ATOM 3051 O O A GLN C 3 23 ? 7.864 40.286 -32.635 0.50 26.79 ? 21 GLN C O 1 ATOM 3052 O O B GLN C 3 23 ? 7.749 40.282 -32.464 0.50 26.55 ? 21 GLN C O 1 ATOM 3053 C CB A GLN C 3 23 ? 6.458 38.456 -34.833 0.50 28.79 ? 21 GLN C CB 1 ATOM 3054 C CB B GLN C 3 23 ? 6.659 38.382 -34.807 0.50 28.67 ? 21 GLN C CB 1 ATOM 3055 C CG A GLN C 3 23 ? 7.586 37.652 -35.373 0.50 31.42 ? 21 GLN C CG 1 ATOM 3056 C CG B GLN C 3 23 ? 5.441 38.321 -35.723 0.50 30.53 ? 21 GLN C CG 1 ATOM 3057 C CD A GLN C 3 23 ? 7.471 37.490 -36.883 0.50 32.53 ? 21 GLN C CD 1 ATOM 3058 C CD B GLN C 3 23 ? 4.854 36.940 -35.803 0.50 33.61 ? 21 GLN C CD 1 ATOM 3059 O OE1 A GLN C 3 23 ? 6.575 38.066 -37.507 0.50 34.07 ? 21 GLN C OE1 1 ATOM 3060 O OE1 B GLN C 3 23 ? 5.301 36.043 -35.100 0.50 34.63 ? 21 GLN C OE1 1 ATOM 3061 N NE2 A GLN C 3 23 ? 8.365 36.704 -37.471 0.50 32.33 ? 21 GLN C NE2 1 ATOM 3062 N NE2 B GLN C 3 23 ? 3.856 36.747 -36.679 0.50 36.15 ? 21 GLN C NE2 1 ATOM 3063 N N . CYS C 3 24 ? 8.456 38.145 -32.200 1.00 26.55 ? 22 CYS C N 1 ATOM 3064 C CA . CYS C 3 24 ? 9.746 38.478 -31.634 1.00 27.03 ? 22 CYS C CA 1 ATOM 3065 C C . CYS C 3 24 ? 10.784 37.524 -32.170 1.00 27.73 ? 22 CYS C C 1 ATOM 3066 O O . CYS C 3 24 ? 10.613 36.298 -32.111 1.00 28.59 ? 22 CYS C O 1 ATOM 3067 C CB . CYS C 3 24 ? 9.713 38.345 -30.108 1.00 26.00 ? 22 CYS C CB 1 ATOM 3068 S SG . CYS C 3 24 ? 11.267 38.811 -29.413 1.00 31.21 ? 22 CYS C SG 1 ATOM 3069 N N . ASN C 3 25 ? 11.854 38.078 -32.711 1.00 27.82 ? 23 ASN C N 1 ATOM 3070 C CA . ASN C 3 25 ? 12.906 37.276 -33.270 1.00 29.05 ? 23 ASN C CA 1 ATOM 3071 C C . ASN C 3 25 ? 14.169 37.784 -32.651 1.00 28.16 ? 23 ASN C C 1 ATOM 3072 O O . ASN C 3 25 ? 14.325 38.996 -32.513 1.00 28.36 ? 23 ASN C O 1 ATOM 3073 C CB . ASN C 3 25 ? 12.967 37.410 -34.806 1.00 30.72 ? 23 ASN C CB 1 ATOM 3074 C CG . ASN C 3 25 ? 11.806 36.710 -35.486 1.00 34.40 ? 23 ASN C CG 1 ATOM 3075 O OD1 . ASN C 3 25 ? 11.833 35.489 -35.675 1.00 36.72 ? 23 ASN C OD1 1 ATOM 3076 N ND2 . ASN C 3 25 ? 10.763 37.479 -35.848 1.00 36.08 ? 23 ASN C ND2 1 ATOM 3077 N N . TYR C 3 26 ? 15.066 36.868 -32.304 1.00 27.08 ? 24 TYR C N 1 ATOM 3078 C CA . TYR C 3 26 ? 16.251 37.218 -31.574 1.00 27.13 ? 24 TYR C CA 1 ATOM 3079 C C . TYR C 3 26 ? 17.474 36.420 -32.028 1.00 28.72 ? 24 TYR C C 1 ATOM 3080 O O . TYR C 3 26 ? 17.354 35.342 -32.610 1.00 28.66 ? 24 TYR C O 1 ATOM 3081 C CB . TYR C 3 26 ? 16.002 37.069 -30.045 1.00 24.99 ? 24 TYR C CB 1 ATOM 3082 C CG . TYR C 3 26 ? 15.675 35.669 -29.613 1.00 24.90 ? 24 TYR C CG 1 ATOM 3083 C CD1 . TYR C 3 26 ? 16.694 34.790 -29.229 1.00 24.01 ? 24 TYR C CD1 1 ATOM 3084 C CD2 . TYR C 3 26 ? 14.349 35.209 -29.588 1.00 25.90 ? 24 TYR C CD2 1 ATOM 3085 C CE1 . TYR C 3 26 ? 16.427 33.515 -28.836 1.00 24.78 ? 24 TYR C CE1 1 ATOM 3086 C CE2 . TYR C 3 26 ? 14.060 33.905 -29.183 1.00 26.75 ? 24 TYR C CE2 1 ATOM 3087 C CZ . TYR C 3 26 ? 15.113 33.061 -28.820 1.00 26.57 ? 24 TYR C CZ 1 ATOM 3088 O OH . TYR C 3 26 ? 14.880 31.762 -28.441 1.00 27.40 ? 24 TYR C OH 1 ATOM 3089 N N . SER C 3 27 ? 18.649 36.991 -31.777 1.00 29.16 ? 25 SER C N 1 ATOM 3090 C CA . SER C 3 27 ? 19.903 36.301 -31.965 1.00 31.44 ? 25 SER C CA 1 ATOM 3091 C C . SER C 3 27 ? 20.624 36.048 -30.636 1.00 30.58 ? 25 SER C C 1 ATOM 3092 O O . SER C 3 27 ? 21.640 35.406 -30.638 1.00 32.26 ? 25 SER C O 1 ATOM 3093 C CB . SER C 3 27 ? 20.799 37.049 -32.966 1.00 33.96 ? 25 SER C CB 1 ATOM 3094 O OG . SER C 3 27 ? 21.066 38.360 -32.533 1.00 34.98 ? 25 SER C OG 1 ATOM 3095 N N . VAL C 3 28 ? 20.059 36.495 -29.508 1.00 29.45 ? 26 VAL C N 1 ATOM 3096 C CA . VAL C 3 28 ? 20.633 36.275 -28.157 1.00 28.46 ? 26 VAL C CA 1 ATOM 3097 C C . VAL C 3 28 ? 21.083 34.831 -27.910 1.00 29.67 ? 26 VAL C C 1 ATOM 3098 O O . VAL C 3 28 ? 20.331 33.890 -28.170 1.00 29.87 ? 26 VAL C O 1 ATOM 3099 C CB . VAL C 3 28 ? 19.642 36.683 -27.058 1.00 26.63 ? 26 VAL C CB 1 ATOM 3100 C CG1 . VAL C 3 28 ? 20.237 36.510 -25.671 1.00 25.07 ? 26 VAL C CG1 1 ATOM 3101 C CG2 . VAL C 3 28 ? 19.206 38.116 -27.239 1.00 25.07 ? 26 VAL C CG2 1 ATOM 3102 N N . THR C 3 29 ? 22.313 34.669 -27.412 1.00 30.25 ? 27 THR C N 1 ATOM 3103 C CA . THR C 3 29 ? 22.893 33.361 -27.100 1.00 30.57 ? 27 THR C CA 1 ATOM 3104 C C . THR C 3 29 ? 23.633 33.404 -25.743 1.00 30.11 ? 27 THR C C 1 ATOM 3105 O O . THR C 3 29 ? 24.471 34.267 -25.541 1.00 29.87 ? 27 THR C O 1 ATOM 3106 C CB . THR C 3 29 ? 23.881 32.894 -28.215 1.00 33.20 ? 27 THR C CB 1 ATOM 3107 O OG1 . THR C 3 29 ? 23.199 32.867 -29.481 1.00 34.65 ? 27 THR C OG1 1 ATOM 3108 C CG2 . THR C 3 29 ? 24.432 31.483 -27.926 1.00 33.23 ? 27 THR C CG2 1 ATOM 3109 N N . PRO C 3 30 ? 23.307 32.485 -24.808 1.00 29.18 ? 28 PRO C N 1 ATOM 3110 C CA . PRO C 3 30 ? 22.206 31.516 -24.878 1.00 28.84 ? 28 PRO C CA 1 ATOM 3111 C C . PRO C 3 30 ? 20.843 32.178 -24.644 1.00 28.23 ? 28 PRO C C 1 ATOM 3112 O O . PRO C 3 30 ? 20.761 33.373 -24.305 1.00 27.22 ? 28 PRO C O 1 ATOM 3113 C CB . PRO C 3 30 ? 22.531 30.517 -23.757 1.00 29.65 ? 28 PRO C CB 1 ATOM 3114 C CG . PRO C 3 30 ? 23.442 31.250 -22.819 1.00 28.32 ? 28 PRO C CG 1 ATOM 3115 C CD . PRO C 3 30 ? 24.164 32.282 -23.625 1.00 28.67 ? 28 PRO C CD 1 ATOM 3116 N N . ASP C 3 31 ? 19.770 31.414 -24.835 1.00 28.28 ? 29 ASP C N 1 ATOM 3117 C CA . ASP C 3 31 ? 18.420 31.958 -24.657 1.00 26.55 ? 29 ASP C CA 1 ATOM 3118 C C . ASP C 3 31 ? 17.701 31.132 -23.613 1.00 27.17 ? 29 ASP C C 1 ATOM 3119 O O . ASP C 3 31 ? 17.002 30.161 -23.910 1.00 27.18 ? 29 ASP C O 1 ATOM 3120 C CB . ASP C 3 31 ? 17.668 31.980 -25.989 1.00 26.98 ? 29 ASP C CB 1 ATOM 3121 C CG . ASP C 3 31 ? 17.686 30.636 -26.722 1.00 27.73 ? 29 ASP C CG 1 ATOM 3122 O OD1 . ASP C 3 31 ? 18.557 29.790 -26.414 1.00 28.11 ? 29 ASP C OD1 1 ATOM 3123 O OD2 . ASP C 3 31 ? 16.846 30.441 -27.644 1.00 28.66 ? 29 ASP C OD2 1 ATOM 3124 N N . ASN C 3 32 ? 17.905 31.504 -22.354 1.00 27.48 ? 30 ASN C N 1 ATOM 3125 C CA . ASN C 3 32 ? 17.297 30.767 -21.269 1.00 27.02 ? 30 ASN C CA 1 ATOM 3126 C C . ASN C 3 32 ? 15.783 30.901 -21.296 1.00 27.21 ? 30 ASN C C 1 ATOM 3127 O O . ASN C 3 32 ? 15.050 29.903 -21.211 1.00 28.19 ? 30 ASN C O 1 ATOM 3128 C CB . ASN C 3 32 ? 17.875 31.243 -19.939 1.00 27.01 ? 30 ASN C CB 1 ATOM 3129 C CG . ASN C 3 32 ? 17.202 30.590 -18.758 1.00 26.59 ? 30 ASN C CG 1 ATOM 3130 O OD1 . ASN C 3 32 ? 16.320 31.184 -18.135 1.00 28.07 ? 30 ASN C OD1 1 ATOM 3131 N ND2 . ASN C 3 32 ? 17.605 29.372 -18.440 1.00 24.51 ? 30 ASN C ND2 1 ATOM 3132 N N . HIS C 3 33 ? 15.303 32.128 -21.442 1.00 26.30 ? 31 HIS C N 1 ATOM 3133 C CA . HIS C 3 33 ? 13.862 32.356 -21.393 1.00 26.94 ? 31 HIS C CA 1 ATOM 3134 C C . HIS C 3 33 ? 13.502 33.635 -22.131 1.00 26.15 ? 31 HIS C C 1 ATOM 3135 O O . HIS C 3 33 ? 14.355 34.492 -22.355 1.00 25.82 ? 31 HIS C O 1 ATOM 3136 C CB . HIS C 3 33 ? 13.374 32.449 -19.935 1.00 27.17 ? 31 HIS C CB 1 ATOM 3137 C CG . HIS C 3 33 ? 13.922 33.631 -19.200 1.00 27.36 ? 31 HIS C CG 1 ATOM 3138 N ND1 . HIS C 3 33 ? 15.152 33.611 -18.582 1.00 28.09 ? 31 HIS C ND1 1 ATOM 3139 C CD2 . HIS C 3 33 ? 13.428 34.881 -19.018 1.00 26.83 ? 31 HIS C CD2 1 ATOM 3140 C CE1 . HIS C 3 33 ? 15.390 34.796 -18.040 1.00 28.42 ? 31 HIS C CE1 1 ATOM 3141 N NE2 . HIS C 3 33 ? 14.350 35.579 -18.271 1.00 25.98 ? 31 HIS C NE2 1 ATOM 3142 N N . LEU C 3 34 ? 12.226 33.758 -22.474 1.00 25.46 ? 32 LEU C N 1 ATOM 3143 C CA . LEU C 3 34 ? 11.735 34.894 -23.224 1.00 24.38 ? 32 LEU C CA 1 ATOM 3144 C C . LEU C 3 34 ? 10.503 35.382 -22.499 1.00 24.86 ? 32 LEU C C 1 ATOM 3145 O O . LEU C 3 34 ? 9.607 34.587 -22.198 1.00 25.93 ? 32 LEU C O 1 ATOM 3146 C CB . LEU C 3 34 ? 11.402 34.489 -24.682 1.00 24.33 ? 32 LEU C CB 1 ATOM 3147 C CG . LEU C 3 34 ? 11.009 35.655 -25.595 1.00 23.36 ? 32 LEU C CG 1 ATOM 3148 C CD1 . LEU C 3 34 ? 11.520 35.488 -27.029 1.00 20.31 ? 32 LEU C CD1 1 ATOM 3149 C CD2 . LEU C 3 34 ? 9.473 35.924 -25.568 1.00 22.36 ? 32 LEU C CD2 1 ATOM 3150 N N . ARG C 3 35 ? 10.466 36.671 -22.185 1.00 23.95 ? 33 ARG C N 1 ATOM 3151 C CA . ARG C 3 35 ? 9.351 37.217 -21.451 1.00 25.12 ? 33 ARG C CA 1 ATOM 3152 C C . ARG C 3 35 ? 8.642 38.264 -22.292 1.00 24.87 ? 33 ARG C C 1 ATOM 3153 O O . ARG C 3 35 ? 9.299 39.013 -23.017 1.00 25.15 ? 33 ARG C O 1 ATOM 3154 C CB . ARG C 3 35 ? 9.850 37.859 -20.150 1.00 25.28 ? 33 ARG C CB 1 ATOM 3155 C CG . ARG C 3 35 ? 8.740 38.470 -19.315 1.00 28.69 ? 33 ARG C CG 1 ATOM 3156 C CD . ARG C 3 35 ? 9.288 39.145 -18.050 1.00 31.28 ? 33 ARG C CD 1 ATOM 3157 N NE . ARG C 3 35 ? 10.159 38.272 -17.266 1.00 29.76 ? 33 ARG C NE 1 ATOM 3158 C CZ . ARG C 3 35 ? 9.746 37.449 -16.308 1.00 31.34 ? 33 ARG C CZ 1 ATOM 3159 N NH1 . ARG C 3 35 ? 8.451 37.334 -16.023 1.00 29.55 ? 33 ARG C NH1 1 ATOM 3160 N NH2 . ARG C 3 35 ? 10.641 36.715 -15.648 1.00 32.12 ? 33 ARG C NH2 1 ATOM 3161 N N . TRP C 3 36 ? 7.312 38.324 -22.194 1.00 24.92 ? 34 TRP C N 1 ATOM 3162 C CA . TRP C 3 36 ? 6.560 39.409 -22.828 1.00 23.84 ? 34 TRP C CA 1 ATOM 3163 C C . TRP C 3 36 ? 6.049 40.372 -21.776 1.00 25.11 ? 34 TRP C C 1 ATOM 3164 O O . TRP C 3 36 ? 5.428 39.950 -20.786 1.00 25.73 ? 34 TRP C O 1 ATOM 3165 C CB . TRP C 3 36 ? 5.398 38.845 -23.642 1.00 23.62 ? 34 TRP C CB 1 ATOM 3166 C CG . TRP C 3 36 ? 5.795 38.236 -24.992 1.00 22.55 ? 34 TRP C CG 1 ATOM 3167 C CD1 . TRP C 3 36 ? 6.087 36.931 -25.245 1.00 23.39 ? 34 TRP C CD1 1 ATOM 3168 C CD2 . TRP C 3 36 ? 5.910 38.922 -26.254 1.00 22.91 ? 34 TRP C CD2 1 ATOM 3169 N NE1 . TRP C 3 36 ? 6.388 36.757 -26.585 1.00 23.02 ? 34 TRP C NE1 1 ATOM 3170 C CE2 . TRP C 3 36 ? 6.271 37.960 -27.225 1.00 20.77 ? 34 TRP C CE2 1 ATOM 3171 C CE3 . TRP C 3 36 ? 5.725 40.254 -26.657 1.00 22.77 ? 34 TRP C CE3 1 ATOM 3172 C CZ2 . TRP C 3 36 ? 6.448 38.276 -28.566 1.00 21.32 ? 34 TRP C CZ2 1 ATOM 3173 C CZ3 . TRP C 3 36 ? 5.908 40.574 -27.992 1.00 21.98 ? 34 TRP C CZ3 1 ATOM 3174 C CH2 . TRP C 3 36 ? 6.277 39.585 -28.938 1.00 22.52 ? 34 TRP C CH2 1 ATOM 3175 N N . PHE C 3 37 ? 6.349 41.664 -21.956 1.00 24.94 ? 35 PHE C N 1 ATOM 3176 C CA . PHE C 3 37 ? 5.815 42.706 -21.099 1.00 25.73 ? 35 PHE C CA 1 ATOM 3177 C C . PHE C 3 37 ? 4.729 43.490 -21.811 1.00 25.87 ? 35 PHE C C 1 ATOM 3178 O O . PHE C 3 37 ? 4.787 43.694 -23.020 1.00 25.68 ? 35 PHE C O 1 ATOM 3179 C CB . PHE C 3 37 ? 6.893 43.719 -20.689 1.00 25.73 ? 35 PHE C CB 1 ATOM 3180 C CG . PHE C 3 37 ? 7.789 43.261 -19.575 1.00 28.87 ? 35 PHE C CG 1 ATOM 3181 C CD1 . PHE C 3 37 ? 7.308 43.125 -18.283 1.00 26.39 ? 35 PHE C CD1 1 ATOM 3182 C CD2 . PHE C 3 37 ? 9.138 43.002 -19.816 1.00 30.20 ? 35 PHE C CD2 1 ATOM 3183 C CE1 . PHE C 3 37 ? 8.139 42.730 -17.251 1.00 30.26 ? 35 PHE C CE1 1 ATOM 3184 C CE2 . PHE C 3 37 ? 9.987 42.601 -18.767 1.00 32.04 ? 35 PHE C CE2 1 ATOM 3185 C CZ . PHE C 3 37 ? 9.481 42.477 -17.484 1.00 31.93 ? 35 PHE C CZ 1 ATOM 3186 N N . LYS C 3 38 ? 3.776 43.986 -21.037 1.00 26.74 ? 36 LYS C N 1 ATOM 3187 C CA . LYS C 3 38 ? 2.833 44.990 -21.513 1.00 26.81 ? 36 LYS C CA 1 ATOM 3188 C C . LYS C 3 38 ? 3.177 46.304 -20.809 1.00 28.15 ? 36 LYS C C 1 ATOM 3189 O O . LYS C 3 38 ? 3.360 46.333 -19.580 1.00 27.75 ? 36 LYS C O 1 ATOM 3190 C CB . LYS C 3 38 ? 1.396 44.597 -21.156 1.00 27.34 ? 36 LYS C CB 1 ATOM 3191 C CG . LYS C 3 38 ? 0.322 45.547 -21.720 1.00 27.42 ? 36 LYS C CG 1 ATOM 3192 C CD . LYS C 3 38 ? -1.062 45.096 -21.275 1.00 29.55 ? 36 LYS C CD 1 ATOM 3193 C CE . LYS C 3 38 ? -2.145 45.923 -21.940 1.00 34.15 ? 36 LYS C CE 1 ATOM 3194 N NZ . LYS C 3 38 ? -2.827 46.785 -20.988 1.00 34.21 ? 36 LYS C NZ 1 ATOM 3195 N N . GLN C 3 39 ? 3.279 47.378 -21.591 1.00 28.07 ? 37 GLN C N 1 ATOM 3196 C CA . GLN C 3 39 ? 3.505 48.697 -21.034 1.00 29.81 ? 37 GLN C CA 1 ATOM 3197 C C . GLN C 3 39 ? 2.495 49.697 -21.587 1.00 32.06 ? 37 GLN C C 1 ATOM 3198 O O . GLN C 3 39 ? 2.572 50.109 -22.758 1.00 32.20 ? 37 GLN C O 1 ATOM 3199 C CB . GLN C 3 39 ? 4.950 49.167 -21.272 1.00 28.87 ? 37 GLN C CB 1 ATOM 3200 C CG . GLN C 3 39 ? 5.252 50.598 -20.730 1.00 30.19 ? 37 GLN C CG 1 ATOM 3201 C CD . GLN C 3 39 ? 6.705 50.997 -20.975 1.00 30.79 ? 37 GLN C CD 1 ATOM 3202 O OE1 . GLN C 3 39 ? 7.252 50.727 -22.044 1.00 27.10 ? 37 GLN C OE1 1 ATOM 3203 N NE2 . GLN C 3 39 ? 7.335 51.616 -19.986 1.00 26.31 ? 37 GLN C NE2 1 ATOM 3204 N N . ASP C 3 40 ? 1.533 50.067 -20.752 1.00 35.00 ? 38 ASP C N 1 ATOM 3205 C CA . ASP C 3 40 ? 0.638 51.189 -21.036 1.00 38.34 ? 38 ASP C CA 1 ATOM 3206 C C . ASP C 3 40 ? 1.441 52.465 -21.072 1.00 39.73 ? 38 ASP C C 1 ATOM 3207 O O . ASP C 3 40 ? 2.468 52.584 -20.401 1.00 39.04 ? 38 ASP C O 1 ATOM 3208 C CB . ASP C 3 40 ? -0.450 51.347 -19.953 1.00 40.54 ? 38 ASP C CB 1 ATOM 3209 C CG . ASP C 3 40 ? -1.328 50.125 -19.827 1.00 43.36 ? 38 ASP C CG 1 ATOM 3210 O OD1 . ASP C 3 40 ? -1.381 49.317 -20.788 1.00 42.95 ? 38 ASP C OD1 1 ATOM 3211 O OD2 . ASP C 3 40 ? -1.941 49.963 -18.747 1.00 47.93 ? 38 ASP C OD2 1 ATOM 3212 N N . THR C 3 41 ? 0.933 53.414 -21.855 1.00 41.72 ? 39 THR C N 1 ATOM 3213 C CA . THR C 3 41 ? 1.560 54.689 -22.103 1.00 44.55 ? 39 THR C CA 1 ATOM 3214 C C . THR C 3 41 ? 1.719 55.423 -20.772 1.00 47.24 ? 39 THR C C 1 ATOM 3215 O O . THR C 3 41 ? 0.751 55.594 -20.027 1.00 48.83 ? 39 THR C O 1 ATOM 3216 C CB . THR C 3 41 ? 0.672 55.505 -23.089 1.00 46.38 ? 39 THR C CB 1 ATOM 3217 O OG1 . THR C 3 41 ? 0.542 54.768 -24.317 1.00 46.53 ? 39 THR C OG1 1 ATOM 3218 C CG2 . THR C 3 41 ? 1.264 56.883 -23.381 1.00 48.57 ? 39 THR C CG2 1 ATOM 3219 N N . GLY C 3 42 ? 2.951 55.840 -20.481 1.00 47.55 ? 40 GLY C N 1 ATOM 3220 C CA . GLY C 3 42 ? 3.274 56.496 -19.239 1.00 49.09 ? 40 GLY C CA 1 ATOM 3221 C C . GLY C 3 42 ? 3.433 55.562 -18.048 1.00 48.67 ? 40 GLY C C 1 ATOM 3222 O O . GLY C 3 42 ? 3.564 56.031 -16.928 1.00 50.93 ? 40 GLY C O 1 ATOM 3223 N N . LYS C 3 43 ? 3.439 54.248 -18.266 1.00 45.47 ? 41 LYS C N 1 ATOM 3224 C CA . LYS C 3 43 ? 3.415 53.340 -17.137 1.00 44.28 ? 41 LYS C CA 1 ATOM 3225 C C . LYS C 3 43 ? 4.616 52.376 -17.120 1.00 42.13 ? 41 LYS C C 1 ATOM 3226 O O . LYS C 3 43 ? 5.580 52.554 -17.863 1.00 40.76 ? 41 LYS C O 1 ATOM 3227 C CB . LYS C 3 43 ? 2.071 52.598 -17.096 1.00 44.11 ? 41 LYS C CB 1 ATOM 3228 N N . GLY C 3 44 ? 4.552 51.382 -16.242 1.00 40.51 ? 42 GLY C N 1 ATOM 3229 C CA . GLY C 3 44 ? 5.613 50.441 -16.083 1.00 38.75 ? 42 GLY C CA 1 ATOM 3230 C C . GLY C 3 44 ? 5.340 49.142 -16.806 1.00 36.48 ? 42 GLY C C 1 ATOM 3231 O O . GLY C 3 44 ? 4.405 49.029 -17.604 1.00 35.02 ? 42 GLY C O 1 ATOM 3232 N N . LEU C 3 45 ? 6.178 48.164 -16.500 1.00 35.32 ? 43 LEU C N 1 ATOM 3233 C CA . LEU C 3 45 ? 6.240 46.919 -17.228 1.00 34.07 ? 43 LEU C CA 1 ATOM 3234 C C . LEU C 3 45 ? 5.400 45.902 -16.494 1.00 34.32 ? 43 LEU C C 1 ATOM 3235 O O . LEU C 3 45 ? 5.540 45.751 -15.277 1.00 37.48 ? 43 LEU C O 1 ATOM 3236 C CB . LEU C 3 45 ? 7.691 46.470 -17.300 1.00 33.35 ? 43 LEU C CB 1 ATOM 3237 C CG . LEU C 3 45 ? 8.606 47.549 -17.904 1.00 35.15 ? 43 LEU C CG 1 ATOM 3238 C CD1 . LEU C 3 45 ? 10.093 47.183 -17.686 1.00 35.41 ? 43 LEU C CD1 1 ATOM 3239 C CD2 . LEU C 3 45 ? 8.312 47.742 -19.383 1.00 31.52 ? 43 LEU C CD2 1 ATOM 3240 N N . VAL C 3 46 ? 4.458 45.289 -17.200 1.00 32.50 ? 44 VAL C N 1 ATOM 3241 C CA . VAL C 3 46 ? 3.629 44.245 -16.627 1.00 31.94 ? 44 VAL C CA 1 ATOM 3242 C C . VAL C 3 46 ? 3.946 42.946 -17.374 1.00 30.16 ? 44 VAL C C 1 ATOM 3243 O O . VAL C 3 46 ? 3.828 42.869 -18.615 1.00 27.95 ? 44 VAL C O 1 ATOM 3244 C CB . VAL C 3 46 ? 2.131 44.621 -16.668 1.00 32.94 ? 44 VAL C CB 1 ATOM 3245 C CG1 . VAL C 3 46 ? 1.277 43.501 -16.087 1.00 35.01 ? 44 VAL C CG1 1 ATOM 3246 C CG2 . VAL C 3 46 ? 1.898 45.895 -15.835 1.00 33.62 ? 44 VAL C CG2 1 ATOM 3247 N N . SER C 3 47 ? 4.406 41.951 -16.621 1.00 29.30 ? 45 SER C N 1 ATOM 3248 C CA . SER C 3 47 ? 4.765 40.670 -17.211 1.00 28.40 ? 45 SER C CA 1 ATOM 3249 C C . SER C 3 47 ? 3.495 39.900 -17.610 1.00 28.43 ? 45 SER C C 1 ATOM 3250 O O . SER C 3 47 ? 2.635 39.678 -16.774 1.00 29.95 ? 45 SER C O 1 ATOM 3251 C CB . SER C 3 47 ? 5.588 39.850 -16.201 1.00 28.71 ? 45 SER C CB 1 ATOM 3252 O OG . SER C 3 47 ? 6.022 38.640 -16.805 1.00 29.24 ? 45 SER C OG 1 ATOM 3253 N N . LEU C 3 48 ? 3.379 39.523 -18.885 1.00 27.47 ? 46 LEU C N 1 ATOM 3254 C CA . LEU C 3 48 ? 2.243 38.732 -19.389 1.00 27.05 ? 46 LEU C CA 1 ATOM 3255 C C . LEU C 3 48 ? 2.554 37.252 -19.340 1.00 27.51 ? 46 LEU C C 1 ATOM 3256 O O . LEU C 3 48 ? 1.692 36.446 -19.000 1.00 28.79 ? 46 LEU C O 1 ATOM 3257 C CB . LEU C 3 48 ? 1.915 39.106 -20.841 1.00 26.47 ? 46 LEU C CB 1 ATOM 3258 C CG . LEU C 3 48 ? 1.538 40.580 -21.047 1.00 26.18 ? 46 LEU C CG 1 ATOM 3259 C CD1 . LEU C 3 48 ? 1.254 40.864 -22.504 1.00 26.03 ? 46 LEU C CD1 1 ATOM 3260 C CD2 . LEU C 3 48 ? 0.364 41.011 -20.113 1.00 25.02 ? 46 LEU C CD2 1 ATOM 3261 N N . THR C 3 49 ? 3.796 36.889 -19.670 1.00 26.32 ? 47 THR C N 1 ATOM 3262 C CA . THR C 3 49 ? 4.155 35.490 -19.721 1.00 26.41 ? 47 THR C CA 1 ATOM 3263 C C . THR C 3 49 ? 5.656 35.326 -19.835 1.00 26.01 ? 47 THR C C 1 ATOM 3264 O O . THR C 3 49 ? 6.359 36.241 -20.271 1.00 25.35 ? 47 THR C O 1 ATOM 3265 C CB . THR C 3 49 ? 3.449 34.776 -20.923 1.00 27.44 ? 47 THR C CB 1 ATOM 3266 O OG1 . THR C 3 49 ? 3.525 33.357 -20.753 1.00 29.15 ? 47 THR C OG1 1 ATOM 3267 C CG2 . THR C 3 49 ? 4.046 35.189 -22.301 1.00 23.03 ? 47 THR C CG2 1 ATOM 3268 N N . VAL C 3 50 ? 6.145 34.171 -19.416 1.00 26.03 ? 48 VAL C N 1 ATOM 3269 C CA . VAL C 3 50 ? 7.513 33.809 -19.644 1.00 26.38 ? 48 VAL C CA 1 ATOM 3270 C C . VAL C 3 50 ? 7.580 32.383 -20.236 1.00 27.00 ? 48 VAL C C 1 ATOM 3271 O O . VAL C 3 50 ? 6.887 31.470 -19.778 1.00 27.60 ? 48 VAL C O 1 ATOM 3272 C CB . VAL C 3 50 ? 8.383 33.983 -18.381 1.00 27.21 ? 48 VAL C CB 1 ATOM 3273 C CG1 . VAL C 3 50 ? 7.767 33.282 -17.178 1.00 30.31 ? 48 VAL C CG1 1 ATOM 3274 C CG2 . VAL C 3 50 ? 9.818 33.481 -18.647 1.00 27.70 ? 48 VAL C CG2 1 ATOM 3275 N N . LEU C 3 51 ? 8.375 32.226 -21.292 1.00 25.58 ? 49 LEU C N 1 ATOM 3276 C CA . LEU C 3 51 ? 8.502 30.955 -21.978 1.00 26.13 ? 49 LEU C CA 1 ATOM 3277 C C . LEU C 3 51 ? 9.917 30.491 -21.729 1.00 26.06 ? 49 LEU C C 1 ATOM 3278 O O . LEU C 3 51 ? 10.869 31.291 -21.828 1.00 25.56 ? 49 LEU C O 1 ATOM 3279 C CB . LEU C 3 51 ? 8.233 31.162 -23.486 1.00 25.42 ? 49 LEU C CB 1 ATOM 3280 C CG . LEU C 3 51 ? 6.816 31.693 -23.761 1.00 25.67 ? 49 LEU C CG 1 ATOM 3281 C CD1 . LEU C 3 51 ? 6.822 33.015 -24.519 1.00 25.51 ? 49 LEU C CD1 1 ATOM 3282 C CD2 . LEU C 3 51 ? 5.940 30.665 -24.463 1.00 24.46 ? 49 LEU C CD2 1 ATOM 3283 N N . VAL C 3 52 ? 10.074 29.213 -21.420 1.00 27.56 ? 50 VAL C N 1 ATOM 3284 C CA . VAL C 3 52 ? 11.363 28.706 -20.947 1.00 27.59 ? 50 VAL C CA 1 ATOM 3285 C C . VAL C 3 52 ? 11.869 27.476 -21.698 1.00 29.39 ? 50 VAL C C 1 ATOM 3286 O O . VAL C 3 52 ? 13.067 27.183 -21.659 1.00 29.90 ? 50 VAL C O 1 ATOM 3287 C CB . VAL C 3 52 ? 11.336 28.385 -19.412 1.00 28.73 ? 50 VAL C CB 1 ATOM 3288 C CG1 . VAL C 3 52 ? 10.921 29.604 -18.603 1.00 27.20 ? 50 VAL C CG1 1 ATOM 3289 C CG2 . VAL C 3 52 ? 10.423 27.201 -19.105 1.00 27.75 ? 50 VAL C CG2 1 ATOM 3290 N N . ASP C 3 53 ? 10.965 26.751 -22.344 1.00 30.84 ? 51 ASP C N 1 ATOM 3291 C CA . ASP C 3 53 ? 11.307 25.501 -22.990 1.00 33.43 ? 51 ASP C CA 1 ATOM 3292 C C . ASP C 3 53 ? 11.662 25.669 -24.460 1.00 33.64 ? 51 ASP C C 1 ATOM 3293 O O . ASP C 3 53 ? 11.325 26.669 -25.096 1.00 32.03 ? 51 ASP C O 1 ATOM 3294 C CB . ASP C 3 53 ? 10.175 24.479 -22.826 1.00 35.98 ? 51 ASP C CB 1 ATOM 3295 C CG . ASP C 3 53 ? 10.067 23.953 -21.411 1.00 38.96 ? 51 ASP C CG 1 ATOM 3296 O OD1 . ASP C 3 53 ? 11.058 24.032 -20.649 1.00 40.43 ? 51 ASP C OD1 1 ATOM 3297 O OD2 . ASP C 3 53 ? 8.987 23.442 -21.062 1.00 45.34 ? 51 ASP C OD2 1 ATOM 3298 N N . GLN C 3 54 ? 12.354 24.663 -24.973 1.00 35.59 ? 52 GLN C N 1 ATOM 3299 C CA . GLN C 3 54 ? 12.836 24.608 -26.342 1.00 37.35 ? 52 GLN C CA 1 ATOM 3300 C C . GLN C 3 54 ? 11.701 24.908 -27.326 1.00 37.47 ? 52 GLN C C 1 ATOM 3301 O O . GLN C 3 54 ? 11.830 25.745 -28.225 1.00 35.69 ? 52 GLN C O 1 ATOM 3302 C CB . GLN C 3 54 ? 13.441 23.204 -26.566 1.00 40.55 ? 52 GLN C CB 1 ATOM 3303 C CG . GLN C 3 54 ? 14.425 23.080 -27.720 1.00 46.17 ? 52 GLN C CG 1 ATOM 3304 C CD . GLN C 3 54 ? 15.659 23.975 -27.545 1.00 50.89 ? 52 GLN C CD 1 ATOM 3305 O OE1 . GLN C 3 54 ? 16.186 24.162 -26.430 1.00 50.93 ? 52 GLN C OE1 1 ATOM 3306 N NE2 . GLN C 3 54 ? 16.126 24.538 -28.661 1.00 53.57 ? 52 GLN C NE2 1 ATOM 3307 N N . LYS C 3 55 ? 10.585 24.207 -27.140 1.00 39.52 ? 53 LYS C N 1 ATOM 3308 C CA . LYS C 3 55 ? 9.354 24.468 -27.852 1.00 40.29 ? 53 LYS C CA 1 ATOM 3309 C C . LYS C 3 55 ? 8.355 24.656 -26.736 1.00 39.83 ? 53 LYS C C 1 ATOM 3310 O O . LYS C 3 55 ? 8.102 23.720 -25.958 1.00 42.66 ? 53 LYS C O 1 ATOM 3311 C CB . LYS C 3 55 ? 8.952 23.277 -28.720 1.00 43.23 ? 53 LYS C CB 1 ATOM 3312 C CG . LYS C 3 55 ? 9.953 22.895 -29.811 1.00 46.59 ? 53 LYS C CG 1 ATOM 3313 C CD . LYS C 3 55 ? 9.802 23.751 -31.075 1.00 50.40 ? 53 LYS C CD 1 ATOM 3314 C CE . LYS C 3 55 ? 10.373 23.024 -32.319 1.00 56.47 ? 53 LYS C CE 1 ATOM 3315 N NZ . LYS C 3 55 ? 11.850 22.785 -32.266 1.00 57.09 ? 53 LYS C NZ 1 ATOM 3316 N N . ASP C 3 56 ? 7.807 25.859 -26.634 1.00 36.54 ? 54 ASP C N 1 ATOM 3317 C CA . ASP C 3 56 ? 6.963 26.210 -25.514 1.00 34.79 ? 54 ASP C CA 1 ATOM 3318 C C . ASP C 3 56 ? 5.721 26.974 -25.943 1.00 34.23 ? 54 ASP C C 1 ATOM 3319 O O . ASP C 3 56 ? 5.720 27.702 -26.946 1.00 32.20 ? 54 ASP C O 1 ATOM 3320 C CB . ASP C 3 56 ? 7.736 27.052 -24.497 1.00 32.95 ? 54 ASP C CB 1 ATOM 3321 C CG . ASP C 3 56 ? 7.256 26.824 -23.069 1.00 33.38 ? 54 ASP C CG 1 ATOM 3322 O OD1 . ASP C 3 56 ? 6.229 26.123 -22.884 1.00 32.23 ? 54 ASP C OD1 1 ATOM 3323 O OD2 . ASP C 3 56 ? 7.906 27.343 -22.139 1.00 32.30 ? 54 ASP C OD2 1 ATOM 3324 N N . LYS C 3 57 ? 4.679 26.789 -25.140 1.00 34.92 ? 55 LYS C N 1 ATOM 3325 C CA . LYS C 3 57 ? 3.383 27.437 -25.286 1.00 35.03 ? 55 LYS C CA 1 ATOM 3326 C C . LYS C 3 57 ? 2.921 27.850 -23.898 1.00 34.46 ? 55 LYS C C 1 ATOM 3327 O O . LYS C 3 57 ? 3.041 27.080 -22.941 1.00 34.93 ? 55 LYS C O 1 ATOM 3328 C CB . LYS C 3 57 ? 2.371 26.470 -25.879 1.00 36.89 ? 55 LYS C CB 1 ATOM 3329 C CG . LYS C 3 57 ? 2.508 26.267 -27.395 1.00 39.28 ? 55 LYS C CG 1 ATOM 3330 C CD . LYS C 3 57 ? 1.963 24.896 -27.841 1.00 44.29 ? 55 LYS C CD 1 ATOM 3331 C CE . LYS C 3 57 ? 1.886 24.795 -29.378 1.00 46.11 ? 55 LYS C CE 1 ATOM 3332 N N . THR C 3 58 ? 2.409 29.066 -23.786 1.00 32.46 ? 56 THR C N 1 ATOM 3333 C CA . THR C 3 58 ? 1.810 29.513 -22.525 1.00 33.11 ? 56 THR C CA 1 ATOM 3334 C C . THR C 3 58 ? 0.518 30.224 -22.858 1.00 33.53 ? 56 THR C C 1 ATOM 3335 O O . THR C 3 58 ? 0.276 30.573 -24.022 1.00 32.49 ? 56 THR C O 1 ATOM 3336 C CB . THR C 3 58 ? 2.731 30.499 -21.760 1.00 30.92 ? 56 THR C CB 1 ATOM 3337 O OG1 . THR C 3 58 ? 3.096 31.553 -22.642 1.00 27.64 ? 56 THR C OG1 1 ATOM 3338 C CG2 . THR C 3 58 ? 4.007 29.818 -21.249 1.00 30.65 ? 56 THR C CG2 1 ATOM 3339 N N . SER C 3 59 ? -0.312 30.443 -21.847 1.00 35.03 ? 57 SER C N 1 ATOM 3340 C CA . SER C 3 59 ? -1.504 31.288 -22.013 1.00 35.82 ? 57 SER C CA 1 ATOM 3341 C C . SER C 3 59 ? -1.829 31.989 -20.708 1.00 36.79 ? 57 SER C C 1 ATOM 3342 O O . SER C 3 59 ? -1.471 31.518 -19.621 1.00 38.30 ? 57 SER C O 1 ATOM 3343 C CB . SER C 3 59 ? -2.706 30.479 -22.494 1.00 37.21 ? 57 SER C CB 1 ATOM 3344 O OG . SER C 3 59 ? -2.978 29.442 -21.590 1.00 38.95 ? 57 SER C OG 1 ATOM 3345 N N . ASN C 3 60 ? -2.499 33.123 -20.821 1.00 35.83 ? 58 ASN C N 1 ATOM 3346 C CA . ASN C 3 60 ? -2.819 33.949 -19.674 1.00 36.53 ? 58 ASN C CA 1 ATOM 3347 C C . ASN C 3 60 ? -4.020 34.742 -20.139 1.00 36.14 ? 58 ASN C C 1 ATOM 3348 O O . ASN C 3 60 ? -3.874 35.772 -20.825 1.00 34.03 ? 58 ASN C O 1 ATOM 3349 C CB . ASN C 3 60 ? -1.616 34.866 -19.330 1.00 35.84 ? 58 ASN C CB 1 ATOM 3350 C CG . ASN C 3 60 ? -1.931 35.908 -18.231 1.00 37.83 ? 58 ASN C CG 1 ATOM 3351 O OD1 . ASN C 3 60 ? -2.952 35.816 -17.536 1.00 40.43 ? 58 ASN C OD1 1 ATOM 3352 N ND2 . ASN C 3 60 ? -1.025 36.894 -18.065 1.00 34.82 ? 58 ASN C ND2 1 ATOM 3353 N N . GLY C 3 61 ? -5.203 34.223 -19.816 1.00 37.43 ? 59 GLY C N 1 ATOM 3354 C CA . GLY C 3 61 ? -6.456 34.802 -20.278 1.00 38.61 ? 59 GLY C CA 1 ATOM 3355 C C . GLY C 3 61 ? -6.469 34.927 -21.800 1.00 37.55 ? 59 GLY C C 1 ATOM 3356 O O . GLY C 3 61 ? -6.301 33.929 -22.512 1.00 37.95 ? 59 GLY C O 1 ATOM 3357 N N . ARG C 3 62 ? -6.651 36.148 -22.294 1.00 35.85 ? 60 ARG C N 1 ATOM 3358 C CA . ARG C 3 62 ? -6.721 36.386 -23.743 1.00 35.17 ? 60 ARG C CA 1 ATOM 3359 C C . ARG C 3 62 ? -5.335 36.379 -24.418 1.00 32.75 ? 60 ARG C C 1 ATOM 3360 O O . ARG C 3 62 ? -5.252 36.491 -25.622 1.00 32.55 ? 60 ARG C O 1 ATOM 3361 C CB . ARG C 3 62 ? -7.526 37.667 -24.081 1.00 34.35 ? 60 ARG C CB 1 ATOM 3362 C CG . ARG C 3 62 ? -9.035 37.607 -23.665 1.00 37.50 ? 60 ARG C CG 1 ATOM 3363 C CD . ARG C 3 62 ? -9.781 38.974 -23.892 1.00 38.24 ? 60 ARG C CD 1 ATOM 3364 N NE . ARG C 3 62 ? -9.083 40.054 -23.188 1.00 39.12 ? 60 ARG C NE 1 ATOM 3365 C CZ . ARG C 3 62 ? -8.216 40.912 -23.738 1.00 37.64 ? 60 ARG C CZ 1 ATOM 3366 N NH1 . ARG C 3 62 ? -7.961 40.891 -25.042 1.00 38.44 ? 60 ARG C NH1 1 ATOM 3367 N NH2 . ARG C 3 62 ? -7.620 41.817 -22.976 1.00 35.16 ? 60 ARG C NH2 1 ATOM 3368 N N . TYR C 3 63 ? -4.265 36.273 -23.641 1.00 32.07 ? 62 TYR C N 1 ATOM 3369 C CA . TYR C 3 63 ? -2.919 36.152 -24.205 1.00 31.39 ? 62 TYR C CA 1 ATOM 3370 C C . TYR C 3 63 ? -2.494 34.688 -24.264 1.00 31.92 ? 62 TYR C C 1 ATOM 3371 O O . TYR C 3 63 ? -2.712 33.942 -23.325 1.00 32.51 ? 62 TYR C O 1 ATOM 3372 C CB . TYR C 3 63 ? -1.852 36.935 -23.391 1.00 31.03 ? 62 TYR C CB 1 ATOM 3373 C CG . TYR C 3 63 ? -2.254 38.337 -22.978 1.00 31.90 ? 62 TYR C CG 1 ATOM 3374 C CD1 . TYR C 3 63 ? -2.413 39.338 -23.916 1.00 34.48 ? 62 TYR C CD1 1 ATOM 3375 C CD2 . TYR C 3 63 ? -2.465 38.656 -21.643 1.00 35.20 ? 62 TYR C CD2 1 ATOM 3376 C CE1 . TYR C 3 63 ? -2.811 40.627 -23.542 1.00 35.97 ? 62 TYR C CE1 1 ATOM 3377 C CE2 . TYR C 3 63 ? -2.843 39.959 -21.259 1.00 36.86 ? 62 TYR C CE2 1 ATOM 3378 C CZ . TYR C 3 63 ? -3.004 40.925 -22.219 1.00 36.33 ? 62 TYR C CZ 1 ATOM 3379 O OH . TYR C 3 63 ? -3.384 42.200 -21.882 1.00 42.75 ? 62 TYR C OH 1 ATOM 3380 N N . SER C 3 64 ? -1.902 34.300 -25.388 1.00 31.73 ? 63 SER C N 1 ATOM 3381 C CA . SER C 3 64 ? -1.163 33.059 -25.503 1.00 32.30 ? 63 SER C CA 1 ATOM 3382 C C . SER C 3 64 ? 0.131 33.382 -26.252 1.00 31.45 ? 63 SER C C 1 ATOM 3383 O O . SER C 3 64 ? 0.211 34.388 -26.987 1.00 30.90 ? 63 SER C O 1 ATOM 3384 C CB . SER C 3 64 ? -1.978 31.991 -26.236 1.00 34.04 ? 63 SER C CB 1 ATOM 3385 O OG . SER C 3 64 ? -2.507 32.517 -27.445 1.00 35.24 ? 63 SER C OG 1 ATOM 3386 N N . ALA C 3 65 ? 1.151 32.550 -26.057 1.00 30.75 ? 64 ALA C N 1 ATOM 3387 C CA . ALA C 3 65 ? 2.439 32.796 -26.667 1.00 29.36 ? 64 ALA C CA 1 ATOM 3388 C C . ALA C 3 65 ? 3.088 31.479 -27.011 1.00 30.48 ? 64 ALA C C 1 ATOM 3389 O O . ALA C 3 65 ? 2.752 30.438 -26.440 1.00 31.57 ? 64 ALA C O 1 ATOM 3390 C CB . ALA C 3 65 ? 3.333 33.631 -25.756 1.00 28.31 ? 64 ALA C CB 1 ATOM 3391 N N . THR C 3 66 ? 3.989 31.515 -27.986 1.00 30.01 ? 65 THR C N 1 ATOM 3392 C CA . THR C 3 66 ? 4.725 30.331 -28.378 1.00 30.93 ? 65 THR C CA 1 ATOM 3393 C C . THR C 3 66 ? 6.184 30.733 -28.315 1.00 30.32 ? 65 THR C C 1 ATOM 3394 O O . THR C 3 66 ? 6.511 31.917 -28.458 1.00 28.54 ? 65 THR C O 1 ATOM 3395 C CB . THR C 3 66 ? 4.416 29.919 -29.826 1.00 32.31 ? 65 THR C CB 1 ATOM 3396 O OG1 . THR C 3 66 ? 4.743 31.014 -30.706 1.00 33.17 ? 65 THR C OG1 1 ATOM 3397 C CG2 . THR C 3 66 ? 2.944 29.545 -29.996 1.00 32.29 ? 65 THR C CG2 1 ATOM 3398 N N . LEU C 3 67 ? 7.057 29.750 -28.097 1.00 31.00 ? 66 LEU C N 1 ATOM 3399 C CA . LEU C 3 67 ? 8.498 29.959 -28.214 1.00 30.18 ? 66 LEU C CA 1 ATOM 3400 C C . LEU C 3 67 ? 9.074 28.767 -28.933 1.00 32.03 ? 66 LEU C C 1 ATOM 3401 O O . LEU C 3 67 ? 8.803 27.615 -28.570 1.00 33.04 ? 66 LEU C O 1 ATOM 3402 C CB . LEU C 3 67 ? 9.169 30.091 -26.844 1.00 28.86 ? 66 LEU C CB 1 ATOM 3403 C CG . LEU C 3 67 ? 10.707 30.174 -26.766 1.00 27.81 ? 66 LEU C CG 1 ATOM 3404 C CD1 . LEU C 3 67 ? 11.289 31.432 -27.453 1.00 24.01 ? 66 LEU C CD1 1 ATOM 3405 C CD2 . LEU C 3 67 ? 11.155 30.095 -25.315 1.00 23.76 ? 66 LEU C CD2 1 ATOM 3406 N N . ASP C 3 68 ? 9.865 29.043 -29.959 1.00 32.00 ? 67 ASP C N 1 ATOM 3407 C CA . ASP C 3 68 ? 10.608 28.000 -30.632 1.00 33.60 ? 67 ASP C CA 1 ATOM 3408 C C . ASP C 3 68 ? 12.075 28.443 -30.571 1.00 32.99 ? 67 ASP C C 1 ATOM 3409 O O . ASP C 3 68 ? 12.484 29.376 -31.260 1.00 33.05 ? 67 ASP C O 1 ATOM 3410 C CB . ASP C 3 68 ? 10.090 27.845 -32.054 1.00 35.19 ? 67 ASP C CB 1 ATOM 3411 C CG . ASP C 3 68 ? 10.892 26.872 -32.871 1.00 38.59 ? 67 ASP C CG 1 ATOM 3412 O OD1 . ASP C 3 68 ? 11.979 26.430 -32.443 1.00 40.89 ? 67 ASP C OD1 1 ATOM 3413 O OD2 . ASP C 3 68 ? 10.419 26.551 -33.967 1.00 44.85 ? 67 ASP C OD2 1 ATOM 3414 N N . LYS C 3 69 ? 12.837 27.799 -29.696 1.00 32.88 ? 68 LYS C N 1 ATOM 3415 C CA . LYS C 3 69 ? 14.237 28.121 -29.480 1.00 32.30 ? 68 LYS C CA 1 ATOM 3416 C C . LYS C 3 69 ? 15.149 27.729 -30.651 1.00 34.46 ? 68 LYS C C 1 ATOM 3417 O O . LYS C 3 69 ? 16.195 28.335 -30.849 1.00 34.85 ? 68 LYS C O 1 ATOM 3418 C CB . LYS C 3 69 ? 14.717 27.528 -28.149 1.00 31.74 ? 68 LYS C CB 1 ATOM 3419 C CG . LYS C 3 69 ? 14.260 28.356 -26.895 1.00 28.20 ? 68 LYS C CG 1 ATOM 3420 C CD . LYS C 3 69 ? 14.983 27.881 -25.644 1.00 27.73 ? 68 LYS C CD 1 ATOM 3421 C CE . LYS C 3 69 ? 14.483 28.581 -24.368 1.00 23.95 ? 68 LYS C CE 1 ATOM 3422 N NZ . LYS C 3 69 ? 15.270 28.091 -23.183 1.00 25.83 ? 68 LYS C NZ 1 ATOM 3423 N N . ASP C 3 70 ? 14.750 26.747 -31.442 1.00 36.91 ? 69 ASP C N 1 ATOM 3424 C CA . ASP C 3 70 ? 15.510 26.392 -32.641 1.00 39.75 ? 69 ASP C CA 1 ATOM 3425 C C . ASP C 3 70 ? 15.454 27.541 -33.662 1.00 39.48 ? 69 ASP C C 1 ATOM 3426 O O . ASP C 3 70 ? 16.478 27.917 -34.245 1.00 40.46 ? 69 ASP C O 1 ATOM 3427 C CB . ASP C 3 70 ? 15.003 25.074 -33.246 1.00 42.40 ? 69 ASP C CB 1 ATOM 3428 C CG . ASP C 3 70 ? 15.247 23.867 -32.330 1.00 46.16 ? 69 ASP C CG 1 ATOM 3429 O OD1 . ASP C 3 70 ? 14.917 22.730 -32.721 1.00 52.25 ? 69 ASP C OD1 1 ATOM 3430 O OD2 . ASP C 3 70 ? 15.774 24.039 -31.210 1.00 48.94 ? 69 ASP C OD2 1 ATOM 3431 N N . ALA C 3 71 ? 14.260 28.105 -33.850 1.00 38.35 ? 70 ALA C N 1 ATOM 3432 C CA . ALA C 3 71 ? 14.056 29.209 -34.788 1.00 37.85 ? 70 ALA C CA 1 ATOM 3433 C C . ALA C 3 71 ? 14.343 30.586 -34.170 1.00 35.57 ? 70 ALA C C 1 ATOM 3434 O O . ALA C 3 71 ? 14.464 31.573 -34.890 1.00 35.80 ? 70 ALA C O 1 ATOM 3435 C CB . ALA C 3 71 ? 12.642 29.151 -35.390 1.00 37.61 ? 70 ALA C CB 1 ATOM 3436 N N . LYS C 3 72 ? 14.454 30.641 -32.846 1.00 34.04 ? 71 LYS C N 1 ATOM 3437 C CA . LYS C 3 72 ? 14.683 31.890 -32.115 1.00 32.90 ? 71 LYS C CA 1 ATOM 3438 C C . LYS C 3 72 ? 13.570 32.885 -32.428 1.00 32.16 ? 71 LYS C C 1 ATOM 3439 O O . LYS C 3 72 ? 13.778 34.033 -32.841 1.00 31.03 ? 71 LYS C O 1 ATOM 3440 C CB . LYS C 3 72 ? 16.083 32.438 -32.376 1.00 34.12 ? 71 LYS C CB 1 ATOM 3441 C CG . LYS C 3 72 ? 17.181 31.405 -32.034 1.00 36.94 ? 71 LYS C CG 1 ATOM 3442 C CD . LYS C 3 72 ? 18.429 32.023 -31.466 1.00 40.66 ? 71 LYS C CD 1 ATOM 3443 C CE . LYS C 3 72 ? 19.300 30.964 -30.763 1.00 44.61 ? 71 LYS C CE 1 ATOM 3444 N NZ . LYS C 3 72 ? 20.366 31.621 -29.923 1.00 42.92 ? 71 LYS C NZ 1 ATOM 3445 N N . HIS C 3 73 ? 12.363 32.407 -32.177 1.00 32.15 ? 72 HIS C N 1 ATOM 3446 C CA . HIS C 3 73 ? 11.168 33.050 -32.631 1.00 32.07 ? 72 HIS C CA 1 ATOM 3447 C C . HIS C 3 73 ? 10.084 32.823 -31.615 1.00 30.87 ? 72 HIS C C 1 ATOM 3448 O O . HIS C 3 73 ? 9.829 31.687 -31.232 1.00 31.95 ? 72 HIS C O 1 ATOM 3449 C CB . HIS C 3 73 ? 10.744 32.403 -33.948 1.00 34.23 ? 72 HIS C CB 1 ATOM 3450 C CG . HIS C 3 73 ? 9.445 32.909 -34.466 1.00 36.39 ? 72 HIS C CG 1 ATOM 3451 N ND1 . HIS C 3 73 ? 9.236 34.235 -34.772 1.00 40.68 ? 72 HIS C ND1 1 ATOM 3452 C CD2 . HIS C 3 73 ? 8.287 32.269 -34.744 1.00 40.30 ? 72 HIS C CD2 1 ATOM 3453 C CE1 . HIS C 3 73 ? 7.999 34.393 -35.214 1.00 41.28 ? 72 HIS C CE1 1 ATOM 3454 N NE2 . HIS C 3 73 ? 7.405 33.214 -35.211 1.00 42.39 ? 72 HIS C NE2 1 ATOM 3455 N N . SER C 3 74 ? 9.428 33.902 -31.211 1.00 28.83 ? 73 SER C N 1 ATOM 3456 C CA . SER C 3 74 ? 8.281 33.815 -30.359 1.00 27.86 ? 73 SER C CA 1 ATOM 3457 C C . SER C 3 74 ? 7.160 34.655 -30.943 1.00 27.18 ? 73 SER C C 1 ATOM 3458 O O . SER C 3 74 ? 7.409 35.699 -31.526 1.00 27.02 ? 73 SER C O 1 ATOM 3459 C CB . SER C 3 74 ? 8.637 34.357 -28.968 1.00 26.87 ? 73 SER C CB 1 ATOM 3460 O OG . SER C 3 74 ? 7.515 34.286 -28.110 1.00 28.48 ? 73 SER C OG 1 ATOM 3461 N N . THR C 3 75 ? 5.923 34.217 -30.758 1.00 27.51 ? 74 THR C N 1 ATOM 3462 C CA . THR C 3 75 ? 4.761 35.065 -31.045 1.00 27.76 ? 74 THR C CA 1 ATOM 3463 C C . THR C 3 75 ? 3.930 35.278 -29.785 1.00 27.76 ? 74 THR C C 1 ATOM 3464 O O . THR C 3 75 ? 3.865 34.394 -28.934 1.00 28.95 ? 74 THR C O 1 ATOM 3465 C CB . THR C 3 75 ? 3.816 34.402 -32.028 1.00 29.30 ? 74 THR C CB 1 ATOM 3466 O OG1 . THR C 3 75 ? 3.256 33.257 -31.373 1.00 32.45 ? 74 THR C OG1 1 ATOM 3467 C CG2 . THR C 3 75 ? 4.543 33.981 -33.330 1.00 27.10 ? 74 THR C CG2 1 ATOM 3468 N N . LEU C 3 76 ? 3.297 36.444 -29.675 1.00 26.86 ? 75 LEU C N 1 ATOM 3469 C CA . LEU C 3 76 ? 2.304 36.702 -28.653 1.00 26.43 ? 75 LEU C CA 1 ATOM 3470 C C . LEU C 3 76 ? 0.983 36.933 -29.375 1.00 27.04 ? 75 LEU C C 1 ATOM 3471 O O . LEU C 3 76 ? 0.909 37.807 -30.271 1.00 25.80 ? 75 LEU C O 1 ATOM 3472 C CB . LEU C 3 76 ? 2.668 37.943 -27.861 1.00 26.11 ? 75 LEU C CB 1 ATOM 3473 C CG . LEU C 3 76 ? 1.677 38.374 -26.772 1.00 27.97 ? 75 LEU C CG 1 ATOM 3474 C CD1 . LEU C 3 76 ? 1.684 37.369 -25.615 1.00 28.10 ? 75 LEU C CD1 1 ATOM 3475 C CD2 . LEU C 3 76 ? 2.051 39.793 -26.271 1.00 27.04 ? 75 LEU C CD2 1 ATOM 3476 N N A HIS C 3 77 ? -0.027 36.122 -29.038 0.70 27.09 ? 76 HIS C N 1 ATOM 3477 N N B HIS C 3 77 ? -0.049 36.171 -28.998 0.30 27.24 ? 76 HIS C N 1 ATOM 3478 C CA A HIS C 3 77 ? -1.338 36.285 -29.627 0.70 27.78 ? 76 HIS C CA 1 ATOM 3479 C CA B HIS C 3 77 ? -1.369 36.264 -29.627 0.30 27.85 ? 76 HIS C CA 1 ATOM 3480 C C A HIS C 3 77 ? -2.250 36.946 -28.594 0.70 27.95 ? 76 HIS C C 1 ATOM 3481 C C B HIS C 3 77 ? -2.422 36.799 -28.664 0.30 28.26 ? 76 HIS C C 1 ATOM 3482 O O A HIS C 3 77 ? -2.227 36.581 -27.414 0.70 28.52 ? 76 HIS C O 1 ATOM 3483 O O B HIS C 3 77 ? -2.671 36.205 -27.606 0.30 29.04 ? 76 HIS C O 1 ATOM 3484 C CB A HIS C 3 77 ? -1.941 34.940 -30.097 0.70 28.77 ? 76 HIS C CB 1 ATOM 3485 C CB B HIS C 3 77 ? -1.804 34.897 -30.170 0.30 28.92 ? 76 HIS C CB 1 ATOM 3486 C CG A HIS C 3 77 ? -1.014 34.087 -30.924 0.70 29.69 ? 76 HIS C CG 1 ATOM 3487 C CG B HIS C 3 77 ? -3.182 34.879 -30.764 0.30 29.20 ? 76 HIS C CG 1 ATOM 3488 N ND1 A HIS C 3 77 ? -1.387 33.538 -32.135 0.70 30.45 ? 76 HIS C ND1 1 ATOM 3489 N ND1 B HIS C 3 77 ? -3.428 35.169 -32.091 0.30 28.84 ? 76 HIS C ND1 1 ATOM 3490 C CD2 A HIS C 3 77 ? 0.254 33.656 -30.695 0.70 28.66 ? 76 HIS C CD2 1 ATOM 3491 C CD2 B HIS C 3 77 ? -4.385 34.578 -30.218 0.30 30.39 ? 76 HIS C CD2 1 ATOM 3492 C CE1 A HIS C 3 77 ? -0.391 32.819 -32.621 0.70 30.61 ? 76 HIS C CE1 1 ATOM 3493 C CE1 B HIS C 3 77 ? -4.722 35.051 -32.333 0.30 29.92 ? 76 HIS C CE1 1 ATOM 3494 N NE2 A HIS C 3 77 ? 0.614 32.869 -31.761 0.70 29.38 ? 76 HIS C NE2 1 ATOM 3495 N NE2 B HIS C 3 77 ? -5.326 34.692 -31.214 0.30 29.71 ? 76 HIS C NE2 1 ATOM 3496 N N . ILE C 3 78 ? -3.048 37.911 -29.045 1.00 28.11 ? 77 ILE C N 1 ATOM 3497 C CA . ILE C 3 78 ? -4.119 38.522 -28.236 1.00 28.41 ? 77 ILE C CA 1 ATOM 3498 C C . ILE C 3 78 ? -5.418 38.154 -28.920 1.00 29.35 ? 77 ILE C C 1 ATOM 3499 O O . ILE C 3 78 ? -5.602 38.463 -30.091 1.00 29.73 ? 77 ILE C O 1 ATOM 3500 C CB . ILE C 3 78 ? -3.991 40.047 -28.141 1.00 27.37 ? 77 ILE C CB 1 ATOM 3501 C CG1 . ILE C 3 78 ? -2.600 40.428 -27.629 1.00 29.00 ? 77 ILE C CG1 1 ATOM 3502 C CG2 . ILE C 3 78 ? -5.056 40.615 -27.226 1.00 29.08 ? 77 ILE C CG2 1 ATOM 3503 C CD1 . ILE C 3 78 ? -2.224 41.886 -27.764 1.00 28.90 ? 77 ILE C CD1 1 ATOM 3504 N N . THR C 3 79 ? -6.279 37.425 -28.225 1.00 29.66 ? 78 THR C N 1 ATOM 3505 C CA . THR C 3 79 ? -7.575 37.073 -28.756 1.00 31.22 ? 78 THR C CA 1 ATOM 3506 C C . THR C 3 79 ? -8.577 38.170 -28.354 1.00 31.09 ? 78 THR C C 1 ATOM 3507 O O . THR C 3 79 ? -8.482 38.740 -27.247 1.00 31.53 ? 78 THR C O 1 ATOM 3508 C CB . THR C 3 79 ? -8.022 35.705 -28.198 1.00 33.56 ? 78 THR C CB 1 ATOM 3509 O OG1 . THR C 3 79 ? -7.026 34.731 -28.524 1.00 36.01 ? 78 THR C OG1 1 ATOM 3510 C CG2 . THR C 3 79 ? -9.353 35.276 -28.782 1.00 35.14 ? 78 THR C CG2 1 ATOM 3511 N N . ALA C 3 80 ? -9.502 38.486 -29.256 1.00 30.59 ? 79 ALA C N 1 ATOM 3512 C CA . ALA C 3 80 ? -10.610 39.411 -28.973 1.00 31.59 ? 79 ALA C CA 1 ATOM 3513 C C . ALA C 3 80 ? -10.119 40.680 -28.266 1.00 31.01 ? 79 ALA C C 1 ATOM 3514 O O . ALA C 3 80 ? -10.387 40.877 -27.089 1.00 31.79 ? 79 ALA C O 1 ATOM 3515 C CB . ALA C 3 80 ? -11.702 38.702 -28.137 1.00 32.71 ? 79 ALA C CB 1 ATOM 3516 N N . THR C 3 81 ? -9.378 41.519 -28.986 1.00 30.18 ? 80 THR C N 1 ATOM 3517 C CA . THR C 3 81 ? -8.787 42.712 -28.401 1.00 30.32 ? 80 THR C CA 1 ATOM 3518 C C . THR C 3 81 ? -9.822 43.648 -27.793 1.00 31.51 ? 80 THR C C 1 ATOM 3519 O O . THR C 3 81 ? -10.941 43.784 -28.272 1.00 32.59 ? 80 THR C O 1 ATOM 3520 C CB . THR C 3 81 ? -7.967 43.517 -29.418 1.00 29.32 ? 80 THR C CB 1 ATOM 3521 O OG1 . THR C 3 81 ? -8.750 43.691 -30.609 1.00 31.52 ? 80 THR C OG1 1 ATOM 3522 C CG2 . THR C 3 81 ? -6.606 42.820 -29.728 1.00 28.23 ? 80 THR C CG2 1 ATOM 3523 N N . LEU C 3 82 ? -9.411 44.288 -26.713 1.00 32.50 ? 81 LEU C N 1 ATOM 3524 C CA . LEU C 3 82 ? -10.208 45.297 -26.041 1.00 33.72 ? 81 LEU C CA 1 ATOM 3525 C C . LEU C 3 82 ? -9.393 46.581 -26.037 1.00 33.30 ? 81 LEU C C 1 ATOM 3526 O O . LEU C 3 82 ? -8.160 46.556 -26.192 1.00 31.05 ? 81 LEU C O 1 ATOM 3527 C CB . LEU C 3 82 ? -10.478 44.852 -24.607 1.00 35.37 ? 81 LEU C CB 1 ATOM 3528 C CG . LEU C 3 82 ? -11.289 43.571 -24.386 1.00 37.25 ? 81 LEU C CG 1 ATOM 3529 C CD1 . LEU C 3 82 ? -11.394 43.240 -22.882 1.00 39.44 ? 81 LEU C CD1 1 ATOM 3530 C CD2 . LEU C 3 82 ? -12.666 43.722 -24.988 1.00 39.79 ? 81 LEU C CD2 1 ATOM 3531 N N . LEU C 3 83 ? -10.089 47.701 -25.859 1.00 34.69 ? 82 LEU C N 1 ATOM 3532 C CA . LEU C 3 83 ? -9.451 49.012 -25.777 1.00 35.79 ? 82 LEU C CA 1 ATOM 3533 C C . LEU C 3 83 ? -8.221 49.045 -24.861 1.00 35.82 ? 82 LEU C C 1 ATOM 3534 O O . LEU C 3 83 ? -7.177 49.576 -25.244 1.00 35.02 ? 82 LEU C O 1 ATOM 3535 C CB . LEU C 3 83 ? -10.481 50.046 -25.333 1.00 38.05 ? 82 LEU C CB 1 ATOM 3536 C CG . LEU C 3 83 ? -10.005 51.456 -25.012 1.00 40.08 ? 82 LEU C CG 1 ATOM 3537 C CD1 . LEU C 3 83 ? -9.340 52.105 -26.254 1.00 38.46 ? 82 LEU C CD1 1 ATOM 3538 C CD2 . LEU C 3 83 ? -11.214 52.273 -24.514 1.00 41.86 ? 82 LEU C CD2 1 ATOM 3539 N N . ASP C 3 84 ? -8.330 48.443 -23.675 1.00 36.89 ? 83 ASP C N 1 ATOM 3540 C CA . ASP C 3 84 ? -7.228 48.435 -22.705 1.00 37.52 ? 83 ASP C CA 1 ATOM 3541 C C . ASP C 3 84 ? -5.983 47.638 -23.162 1.00 35.06 ? 83 ASP C C 1 ATOM 3542 O O . ASP C 3 84 ? -4.957 47.697 -22.493 1.00 33.94 ? 83 ASP C O 1 ATOM 3543 C CB . ASP C 3 84 ? -7.709 47.951 -21.322 1.00 40.33 ? 83 ASP C CB 1 ATOM 3544 C CG . ASP C 3 84 ? -8.476 49.026 -20.543 1.00 47.10 ? 83 ASP C CG 1 ATOM 3545 O OD1 . ASP C 3 84 ? -8.866 50.077 -21.128 1.00 51.02 ? 83 ASP C OD1 1 ATOM 3546 O OD2 . ASP C 3 84 ? -8.699 48.819 -19.318 1.00 53.77 ? 83 ASP C OD2 1 ATOM 3547 N N . ASP C 3 85 ? -6.062 46.931 -24.306 1.00 33.01 ? 84 ASP C N 1 ATOM 3548 C CA . ASP C 3 85 ? -4.867 46.299 -24.912 1.00 30.25 ? 84 ASP C CA 1 ATOM 3549 C C . ASP C 3 85 ? -4.002 47.329 -25.641 1.00 29.66 ? 84 ASP C C 1 ATOM 3550 O O . ASP C 3 85 ? -2.904 47.006 -26.107 1.00 28.25 ? 84 ASP C O 1 ATOM 3551 C CB . ASP C 3 85 ? -5.236 45.167 -25.891 1.00 29.19 ? 84 ASP C CB 1 ATOM 3552 C CG . ASP C 3 85 ? -6.032 44.043 -25.230 1.00 31.23 ? 84 ASP C CG 1 ATOM 3553 O OD1 . ASP C 3 85 ? -5.881 43.821 -24.021 1.00 33.31 ? 84 ASP C OD1 1 ATOM 3554 O OD2 . ASP C 3 85 ? -6.845 43.394 -25.910 1.00 34.26 ? 84 ASP C OD2 1 ATOM 3555 N N . THR C 3 86 ? -4.496 48.558 -25.761 1.00 29.92 ? 85 THR C N 1 ATOM 3556 C CA . THR C 3 86 ? -3.712 49.625 -26.361 1.00 30.26 ? 85 THR C CA 1 ATOM 3557 C C . THR C 3 86 ? -2.475 49.895 -25.488 1.00 30.65 ? 85 THR C C 1 ATOM 3558 O O . THR C 3 86 ? -2.587 50.333 -24.335 1.00 32.03 ? 85 THR C O 1 ATOM 3559 C CB . THR C 3 86 ? -4.547 50.915 -26.529 1.00 32.29 ? 85 THR C CB 1 ATOM 3560 O OG1 . THR C 3 86 ? -5.633 50.660 -27.425 1.00 31.64 ? 85 THR C OG1 1 ATOM 3561 C CG2 . THR C 3 86 ? -3.695 52.069 -27.096 1.00 32.01 ? 85 THR C CG2 1 ATOM 3562 N N . ALA C 3 87 ? -1.298 49.626 -26.032 1.00 28.91 ? 86 ALA C N 1 ATOM 3563 C CA . ALA C 3 87 ? -0.099 49.566 -25.211 1.00 29.11 ? 86 ALA C CA 1 ATOM 3564 C C . ALA C 3 87 ? 1.099 49.214 -26.083 1.00 28.25 ? 86 ALA C C 1 ATOM 3565 O O . ALA C 3 87 ? 0.960 48.888 -27.273 1.00 28.56 ? 86 ALA C O 1 ATOM 3566 C CB . ALA C 3 87 ? -0.268 48.460 -24.097 1.00 28.26 ? 86 ALA C CB 1 ATOM 3567 N N . THR C 3 88 ? 2.267 49.211 -25.476 1.00 27.41 ? 87 THR C N 1 ATOM 3568 C CA . THR C 3 88 ? 3.431 48.700 -26.151 1.00 26.25 ? 87 THR C CA 1 ATOM 3569 C C . THR C 3 88 ? 3.733 47.349 -25.564 1.00 25.27 ? 87 THR C C 1 ATOM 3570 O O . THR C 3 88 ? 3.714 47.182 -24.332 1.00 25.69 ? 87 THR C O 1 ATOM 3571 C CB . THR C 3 88 ? 4.627 49.652 -25.967 1.00 26.87 ? 87 THR C CB 1 ATOM 3572 O OG1 . THR C 3 88 ? 4.327 50.895 -26.616 1.00 28.74 ? 87 THR C OG1 1 ATOM 3573 C CG2 . THR C 3 88 ? 5.901 49.049 -26.532 1.00 23.82 ? 87 THR C CG2 1 ATOM 3574 N N . TYR C 3 89 ? 4.026 46.401 -26.444 1.00 24.81 ? 88 TYR C N 1 ATOM 3575 C CA . TYR C 3 89 ? 4.342 45.021 -26.060 1.00 24.23 ? 88 TYR C CA 1 ATOM 3576 C C . TYR C 3 89 ? 5.811 44.782 -26.316 1.00 23.97 ? 88 TYR C C 1 ATOM 3577 O O . TYR C 3 89 ? 6.286 44.994 -27.440 1.00 25.26 ? 88 TYR C O 1 ATOM 3578 C CB . TYR C 3 89 ? 3.462 44.023 -26.833 1.00 23.15 ? 88 TYR C CB 1 ATOM 3579 C CG . TYR C 3 89 ? 2.022 44.176 -26.412 1.00 24.82 ? 88 TYR C CG 1 ATOM 3580 C CD1 . TYR C 3 89 ? 1.209 45.166 -26.969 1.00 23.97 ? 88 TYR C CD1 1 ATOM 3581 C CD2 . TYR C 3 89 ? 1.486 43.377 -25.400 1.00 24.59 ? 88 TYR C CD2 1 ATOM 3582 C CE1 . TYR C 3 89 ? -0.101 45.336 -26.540 1.00 24.34 ? 88 TYR C CE1 1 ATOM 3583 C CE2 . TYR C 3 89 ? 0.182 43.552 -24.952 1.00 24.37 ? 88 TYR C CE2 1 ATOM 3584 C CZ . TYR C 3 89 ? -0.605 44.519 -25.527 1.00 26.12 ? 88 TYR C CZ 1 ATOM 3585 O OH . TYR C 3 89 ? -1.901 44.687 -25.078 1.00 29.12 ? 88 TYR C OH 1 ATOM 3586 N N . ILE C 3 90 ? 6.519 44.343 -25.280 1.00 23.29 ? 89 ILE C N 1 ATOM 3587 C CA . ILE C 3 90 ? 7.961 44.269 -25.306 1.00 23.16 ? 89 ILE C CA 1 ATOM 3588 C C . ILE C 3 90 ? 8.449 42.860 -25.062 1.00 23.38 ? 89 ILE C C 1 ATOM 3589 O O . ILE C 3 90 ? 8.105 42.212 -24.070 1.00 23.21 ? 89 ILE C O 1 ATOM 3590 C CB . ILE C 3 90 ? 8.606 45.221 -24.248 1.00 24.05 ? 89 ILE C CB 1 ATOM 3591 C CG1 . ILE C 3 90 ? 8.314 46.684 -24.593 1.00 25.06 ? 89 ILE C CG1 1 ATOM 3592 C CG2 . ILE C 3 90 ? 10.113 45.002 -24.175 1.00 23.26 ? 89 ILE C CG2 1 ATOM 3593 C CD1 . ILE C 3 90 ? 8.459 47.649 -23.416 1.00 26.27 ? 89 ILE C CD1 1 ATOM 3594 N N . CYS C 3 91 ? 9.281 42.405 -25.974 1.00 24.28 ? 90 CYS C N 1 ATOM 3595 C CA . CYS C 3 91 ? 9.879 41.074 -25.909 1.00 25.23 ? 90 CYS C CA 1 ATOM 3596 C C . CYS C 3 91 ? 11.231 41.241 -25.226 1.00 24.61 ? 90 CYS C C 1 ATOM 3597 O O . CYS C 3 91 ? 11.991 42.149 -25.584 1.00 24.13 ? 90 CYS C O 1 ATOM 3598 C CB . CYS C 3 91 ? 10.114 40.579 -27.348 1.00 25.52 ? 90 CYS C CB 1 ATOM 3599 S SG . CYS C 3 91 ? 10.854 39.002 -27.419 1.00 31.22 ? 90 CYS C SG 1 ATOM 3600 N N . VAL C 3 92 ? 11.514 40.378 -24.254 1.00 24.58 ? 91 VAL C N 1 ATOM 3601 C CA . VAL C 3 92 ? 12.789 40.395 -23.520 1.00 25.05 ? 91 VAL C CA 1 ATOM 3602 C C . VAL C 3 92 ? 13.374 38.983 -23.430 1.00 25.05 ? 91 VAL C C 1 ATOM 3603 O O . VAL C 3 92 ? 12.679 38.043 -23.033 1.00 25.52 ? 91 VAL C O 1 ATOM 3604 C CB . VAL C 3 92 ? 12.613 40.971 -22.069 1.00 25.33 ? 91 VAL C CB 1 ATOM 3605 C CG1 . VAL C 3 92 ? 13.973 41.201 -21.369 1.00 24.16 ? 91 VAL C CG1 1 ATOM 3606 C CG2 . VAL C 3 92 ? 11.831 42.289 -22.104 1.00 26.27 ? 91 VAL C CG2 1 ATOM 3607 N N . VAL C 3 93 ? 14.643 38.818 -23.793 1.00 24.94 ? 92 VAL C N 1 ATOM 3608 C CA . VAL C 3 93 ? 15.270 37.472 -23.703 1.00 23.88 ? 92 VAL C CA 1 ATOM 3609 C C . VAL C 3 93 ? 16.339 37.497 -22.631 1.00 23.89 ? 92 VAL C C 1 ATOM 3610 O O . VAL C 3 93 ? 17.217 38.369 -22.654 1.00 23.14 ? 92 VAL C O 1 ATOM 3611 C CB . VAL C 3 93 ? 15.902 37.017 -25.039 1.00 24.99 ? 92 VAL C CB 1 ATOM 3612 C CG1 . VAL C 3 93 ? 16.486 35.577 -24.928 1.00 25.10 ? 92 VAL C CG1 1 ATOM 3613 C CG2 . VAL C 3 93 ? 14.879 37.081 -26.196 1.00 24.79 ? 92 VAL C CG2 1 ATOM 3614 N N . GLY C 3 94 ? 16.236 36.585 -21.664 1.00 22.63 ? 93 GLY C N 1 ATOM 3615 C CA . GLY C 3 94 ? 17.262 36.470 -20.625 1.00 22.63 ? 93 GLY C CA 1 ATOM 3616 C C . GLY C 3 94 ? 18.259 35.405 -21.039 1.00 22.98 ? 93 GLY C C 1 ATOM 3617 O O . GLY C 3 94 ? 17.873 34.302 -21.462 1.00 22.89 ? 93 GLY C O 1 ATOM 3618 N N . ASP C 3 95 ? 19.543 35.742 -20.959 1.00 23.39 ? 94 ASP C N 1 ATOM 3619 C CA . ASP C 3 95 ? 20.587 34.858 -21.444 1.00 23.08 ? 94 ASP C CA 1 ATOM 3620 C C . ASP C 3 95 ? 21.126 33.881 -20.374 1.00 24.13 ? 94 ASP C C 1 ATOM 3621 O O . ASP C 3 95 ? 22.024 33.107 -20.661 1.00 25.48 ? 94 ASP C O 1 ATOM 3622 C CB . ASP C 3 95 ? 21.699 35.667 -22.173 1.00 23.31 ? 94 ASP C CB 1 ATOM 3623 C CG . ASP C 3 95 ? 22.428 36.676 -21.255 1.00 23.73 ? 94 ASP C CG 1 ATOM 3624 O OD1 . ASP C 3 95 ? 22.393 36.537 -20.016 1.00 22.61 ? 94 ASP C OD1 1 ATOM 3625 O OD2 . ASP C 3 95 ? 23.085 37.608 -21.770 1.00 22.47 ? 94 ASP C OD2 1 ATOM 3626 N N . ARG C 3 96 ? 20.575 33.894 -19.157 1.00 23.84 ? 95 ARG C N 1 ATOM 3627 C CA . ARG C 3 96 ? 20.923 32.891 -18.131 1.00 24.26 ? 95 ARG C CA 1 ATOM 3628 C C . ARG C 3 96 ? 19.701 32.463 -17.337 1.00 24.41 ? 95 ARG C C 1 ATOM 3629 O O . ARG C 3 96 ? 18.711 33.194 -17.285 1.00 24.72 ? 95 ARG C O 1 ATOM 3630 C CB . ARG C 3 96 ? 21.965 33.422 -17.136 1.00 24.53 ? 95 ARG C CB 1 ATOM 3631 C CG . ARG C 3 96 ? 23.318 33.780 -17.737 1.00 26.11 ? 95 ARG C CG 1 ATOM 3632 C CD . ARG C 3 96 ? 24.155 32.545 -18.225 1.00 25.63 ? 95 ARG C CD 1 ATOM 3633 N NE . ARG C 3 96 ? 25.513 33.022 -18.457 1.00 26.14 ? 95 ARG C NE 1 ATOM 3634 C CZ . ARG C 3 96 ? 25.924 33.608 -19.579 1.00 29.05 ? 95 ARG C CZ 1 ATOM 3635 N NH1 . ARG C 3 96 ? 27.166 34.044 -19.676 1.00 29.26 ? 95 ARG C NH1 1 ATOM 3636 N NH2 . ARG C 3 96 ? 25.100 33.762 -20.608 1.00 28.70 ? 95 ARG C NH2 1 ATOM 3637 N N . GLY C 3 97 ? 19.751 31.292 -16.711 1.00 24.30 ? 96 GLY C N 1 ATOM 3638 C CA . GLY C 3 97 ? 18.684 30.916 -15.775 1.00 24.74 ? 96 GLY C CA 1 ATOM 3639 C C . GLY C 3 97 ? 18.907 31.334 -14.313 1.00 25.45 ? 96 GLY C C 1 ATOM 3640 O O . GLY C 3 97 ? 18.432 30.646 -13.386 1.00 26.48 ? 96 GLY C O 1 ATOM 3641 N N . SER C 3 98 ? 19.636 32.437 -14.113 1.00 24.52 ? 97 SER C N 1 ATOM 3642 C CA . SER C 3 98 ? 19.931 32.995 -12.798 1.00 25.33 ? 97 SER C CA 1 ATOM 3643 C C . SER C 3 98 ? 20.296 34.474 -12.914 1.00 24.97 ? 97 SER C C 1 ATOM 3644 O O . SER C 3 98 ? 20.373 35.018 -14.021 1.00 25.15 ? 97 SER C O 1 ATOM 3645 C CB . SER C 3 98 ? 21.139 32.272 -12.165 1.00 26.01 ? 97 SER C CB 1 ATOM 3646 O OG . SER C 3 98 ? 22.350 32.795 -12.711 1.00 25.62 ? 97 SER C OG 1 ATOM 3647 N N . ALA C 3 99 ? 20.563 35.096 -11.768 1.00 25.87 ? 98 ALA C N 1 ATOM 3648 C CA . ALA C 3 99 ? 20.960 36.496 -11.674 1.00 27.05 ? 98 ALA C CA 1 ATOM 3649 C C . ALA C 3 99 ? 22.247 36.866 -12.441 1.00 27.10 ? 98 ALA C C 1 ATOM 3650 O O . ALA C 3 99 ? 22.528 38.048 -12.621 1.00 27.65 ? 98 ALA C O 1 ATOM 3651 C CB . ALA C 3 99 ? 21.110 36.890 -10.212 1.00 28.10 ? 98 ALA C CB 1 ATOM 3652 N N . LEU C 3 100 ? 23.034 35.868 -12.851 1.00 27.18 ? 99 LEU C N 1 ATOM 3653 C CA . LEU C 3 100 ? 24.203 36.104 -13.716 1.00 27.20 ? 99 LEU C CA 1 ATOM 3654 C C . LEU C 3 100 ? 23.802 36.566 -15.138 1.00 26.29 ? 99 LEU C C 1 ATOM 3655 O O . LEU C 3 100 ? 24.626 37.070 -15.911 1.00 25.52 ? 99 LEU C O 1 ATOM 3656 C CB . LEU C 3 100 ? 25.085 34.854 -13.787 1.00 26.67 ? 99 LEU C CB 1 ATOM 3657 C CG . LEU C 3 100 ? 25.664 34.421 -12.450 1.00 27.79 ? 99 LEU C CG 1 ATOM 3658 C CD1 . LEU C 3 100 ? 26.569 33.244 -12.613 1.00 27.66 ? 99 LEU C CD1 1 ATOM 3659 C CD2 . LEU C 3 100 ? 26.380 35.574 -11.714 1.00 28.27 ? 99 LEU C CD2 1 ATOM 3660 N N . GLY C 3 101 ? 22.526 36.401 -15.451 1.00 26.26 ? 100 GLY C N 1 ATOM 3661 C CA . GLY C 3 101 ? 21.982 36.732 -16.778 1.00 25.75 ? 100 GLY C CA 1 ATOM 3662 C C . GLY C 3 101 ? 21.858 38.217 -17.005 1.00 26.42 ? 100 GLY C C 1 ATOM 3663 O O . GLY C 3 101 ? 21.763 39.016 -16.053 1.00 26.90 ? 100 GLY C O 1 ATOM 3664 N N . ARG C 3 102 ? 21.937 38.581 -18.276 1.00 26.06 ? 103 ARG C N 1 ATOM 3665 C CA . ARG C 3 102 ? 21.559 39.892 -18.745 1.00 26.49 ? 103 ARG C CA 1 ATOM 3666 C C . ARG C 3 102 ? 20.264 39.739 -19.515 1.00 25.60 ? 103 ARG C C 1 ATOM 3667 O O . ARG C 3 102 ? 20.051 38.731 -20.219 1.00 24.53 ? 103 ARG C O 1 ATOM 3668 C CB . ARG C 3 102 ? 22.630 40.478 -19.675 1.00 27.33 ? 103 ARG C CB 1 ATOM 3669 C CG . ARG C 3 102 ? 23.972 40.730 -19.011 1.00 29.74 ? 103 ARG C CG 1 ATOM 3670 C CD . ARG C 3 102 ? 23.925 41.851 -17.955 1.00 32.78 ? 103 ARG C CD 1 ATOM 3671 N NE . ARG C 3 102 ? 25.253 42.006 -17.353 1.00 37.40 ? 103 ARG C NE 1 ATOM 3672 C CZ . ARG C 3 102 ? 26.152 42.942 -17.683 1.00 39.06 ? 103 ARG C CZ 1 ATOM 3673 N NH1 . ARG C 3 102 ? 25.865 43.867 -18.597 1.00 38.52 ? 103 ARG C NH1 1 ATOM 3674 N NH2 . ARG C 3 102 ? 27.340 42.958 -17.073 1.00 37.10 ? 103 ARG C NH2 1 ATOM 3675 N N . LEU C 3 103 ? 19.421 40.764 -19.400 1.00 25.99 ? 104 LEU C N 1 ATOM 3676 C CA . LEU C 3 103 ? 18.159 40.854 -20.138 1.00 25.48 ? 104 LEU C CA 1 ATOM 3677 C C . LEU C 3 103 ? 18.382 41.687 -21.400 1.00 25.74 ? 104 LEU C C 1 ATOM 3678 O O . LEU C 3 103 ? 19.049 42.743 -21.364 1.00 26.58 ? 104 LEU C O 1 ATOM 3679 C CB . LEU C 3 103 ? 17.103 41.527 -19.270 1.00 25.46 ? 104 LEU C CB 1 ATOM 3680 C CG . LEU C 3 103 ? 16.669 40.781 -17.996 1.00 26.64 ? 104 LEU C CG 1 ATOM 3681 C CD1 . LEU C 3 103 ? 15.579 41.573 -17.265 1.00 28.03 ? 104 LEU C CD1 1 ATOM 3682 C CD2 . LEU C 3 103 ? 16.181 39.388 -18.352 1.00 25.83 ? 104 LEU C CD2 1 ATOM 3683 N N . HIS C 3 104 ? 17.825 41.207 -22.503 1.00 24.80 ? 105 HIS C N 1 ATOM 3684 C CA . HIS C 3 104 ? 17.950 41.859 -23.817 1.00 24.93 ? 105 HIS C CA 1 ATOM 3685 C C . HIS C 3 104 ? 16.564 42.232 -24.285 1.00 24.62 ? 105 HIS C C 1 ATOM 3686 O O . HIS C 3 104 ? 15.715 41.356 -24.542 1.00 24.19 ? 105 HIS C O 1 ATOM 3687 C CB . HIS C 3 104 ? 18.557 40.872 -24.789 1.00 25.66 ? 105 HIS C CB 1 ATOM 3688 C CG . HIS C 3 104 ? 19.875 40.331 -24.343 1.00 25.88 ? 105 HIS C CG 1 ATOM 3689 N ND1 . HIS C 3 104 ? 21.068 40.785 -24.856 1.00 28.57 ? 105 HIS C ND1 1 ATOM 3690 C CD2 . HIS C 3 104 ? 20.192 39.389 -23.417 1.00 24.47 ? 105 HIS C CD2 1 ATOM 3691 C CE1 . HIS C 3 104 ? 22.067 40.134 -24.282 1.00 29.13 ? 105 HIS C CE1 1 ATOM 3692 N NE2 . HIS C 3 104 ? 21.561 39.275 -23.415 1.00 27.44 ? 105 HIS C NE2 1 ATOM 3693 N N . PHE C 3 105 ? 16.326 43.535 -24.357 1.00 25.24 ? 106 PHE C N 1 ATOM 3694 C CA . PHE C 3 105 ? 15.004 44.081 -24.576 1.00 24.63 ? 106 PHE C CA 1 ATOM 3695 C C . PHE C 3 105 ? 14.808 44.384 -26.043 1.00 24.65 ? 106 PHE C C 1 ATOM 3696 O O . PHE C 3 105 ? 15.633 45.043 -26.665 1.00 25.35 ? 106 PHE C O 1 ATOM 3697 C CB . PHE C 3 105 ? 14.818 45.380 -23.778 1.00 25.12 ? 106 PHE C CB 1 ATOM 3698 C CG . PHE C 3 105 ? 14.664 45.168 -22.299 1.00 26.08 ? 106 PHE C CG 1 ATOM 3699 C CD1 . PHE C 3 105 ? 15.763 44.885 -21.509 1.00 26.61 ? 106 PHE C CD1 1 ATOM 3700 C CD2 . PHE C 3 105 ? 13.416 45.266 -21.697 1.00 27.08 ? 106 PHE C CD2 1 ATOM 3701 C CE1 . PHE C 3 105 ? 15.626 44.694 -20.132 1.00 28.79 ? 106 PHE C CE1 1 ATOM 3702 C CE2 . PHE C 3 105 ? 13.271 45.058 -20.321 1.00 27.51 ? 106 PHE C CE2 1 ATOM 3703 C CZ . PHE C 3 105 ? 14.382 44.777 -19.539 1.00 27.56 ? 106 PHE C CZ 1 ATOM 3704 N N . GLY C 3 106 ? 13.681 43.947 -26.579 1.00 23.39 ? 107 GLY C N 1 ATOM 3705 C CA . GLY C 3 106 ? 13.226 44.476 -27.846 1.00 24.42 ? 107 GLY C CA 1 ATOM 3706 C C . GLY C 3 106 ? 12.710 45.882 -27.636 1.00 26.21 ? 107 GLY C C 1 ATOM 3707 O O . GLY C 3 106 ? 12.409 46.288 -26.488 1.00 26.17 ? 107 GLY C O 1 ATOM 3708 N N . ALA C 3 107 ? 12.605 46.627 -28.734 1.00 27.10 ? 108 ALA C N 1 ATOM 3709 C CA . ALA C 3 107 ? 12.134 48.002 -28.683 1.00 29.11 ? 108 ALA C CA 1 ATOM 3710 C C . ALA C 3 107 ? 10.604 48.111 -28.670 1.00 28.82 ? 108 ALA C C 1 ATOM 3711 O O . ALA C 3 107 ? 10.076 49.195 -28.624 1.00 31.06 ? 108 ALA C O 1 ATOM 3712 C CB . ALA C 3 107 ? 12.743 48.840 -29.833 1.00 30.37 ? 108 ALA C CB 1 ATOM 3713 N N . GLY C 3 108 ? 9.887 46.994 -28.737 1.00 28.73 ? 109 GLY C N 1 ATOM 3714 C CA . GLY C 3 108 ? 8.436 47.015 -28.582 1.00 27.44 ? 109 GLY C CA 1 ATOM 3715 C C . GLY C 3 108 ? 7.609 47.127 -29.843 1.00 28.22 ? 109 GLY C C 1 ATOM 3716 O O . GLY C 3 108 ? 8.085 47.581 -30.880 1.00 29.46 ? 109 GLY C O 1 ATOM 3717 N N . THR C 3 109 ? 6.366 46.664 -29.748 1.00 27.51 ? 110 THR C N 1 ATOM 3718 C CA . THR C 3 109 ? 5.376 46.846 -30.779 1.00 27.24 ? 110 THR C CA 1 ATOM 3719 C C . THR C 3 109 ? 4.259 47.649 -30.144 1.00 27.76 ? 110 THR C C 1 ATOM 3720 O O . THR C 3 109 ? 3.739 47.256 -29.088 1.00 27.24 ? 110 THR C O 1 ATOM 3721 C CB . THR C 3 109 ? 4.778 45.501 -31.259 1.00 26.83 ? 110 THR C CB 1 ATOM 3722 O OG1 . THR C 3 109 ? 5.765 44.752 -31.982 1.00 26.27 ? 110 THR C OG1 1 ATOM 3723 C CG2 . THR C 3 109 ? 3.600 45.766 -32.187 1.00 26.27 ? 110 THR C CG2 1 ATOM 3724 N N . GLN C 3 110 ? 3.892 48.764 -30.773 1.00 29.09 ? 111 GLN C N 1 ATOM 3725 C CA . GLN C 3 110 ? 2.746 49.571 -30.326 1.00 30.07 ? 111 GLN C CA 1 ATOM 3726 C C . GLN C 3 110 ? 1.442 49.021 -30.885 1.00 29.06 ? 111 GLN C C 1 ATOM 3727 O O . GLN C 3 110 ? 1.253 48.965 -32.101 1.00 29.96 ? 111 GLN C O 1 ATOM 3728 C CB . GLN C 3 110 ? 2.900 51.037 -30.759 1.00 32.06 ? 111 GLN C CB 1 ATOM 3729 C CG . GLN C 3 110 ? 4.264 51.642 -30.429 1.00 37.93 ? 111 GLN C CG 1 ATOM 3730 C CD . GLN C 3 110 ? 4.248 53.162 -30.369 1.00 46.07 ? 111 GLN C CD 1 ATOM 3731 O OE1 . GLN C 3 110 ? 3.173 53.792 -30.387 1.00 49.91 ? 111 GLN C OE1 1 ATOM 3732 N NE2 . GLN C 3 110 ? 5.444 53.768 -30.279 1.00 47.50 ? 111 GLN C NE2 1 ATOM 3733 N N . LEU C 3 111 ? 0.552 48.591 -30.007 1.00 27.36 ? 112 LEU C N 1 ATOM 3734 C CA . LEU C 3 111 ? -0.795 48.231 -30.427 1.00 26.70 ? 112 LEU C CA 1 ATOM 3735 C C . LEU C 3 111 ? -1.807 49.367 -30.135 1.00 27.56 ? 112 LEU C C 1 ATOM 3736 O O . LEU C 3 111 ? -1.823 49.923 -29.035 1.00 27.91 ? 112 LEU C O 1 ATOM 3737 C CB . LEU C 3 111 ? -1.234 46.947 -29.723 1.00 24.85 ? 112 LEU C CB 1 ATOM 3738 C CG . LEU C 3 111 ? -2.678 46.475 -30.001 1.00 26.98 ? 112 LEU C CG 1 ATOM 3739 C CD1 . LEU C 3 111 ? -2.889 46.102 -31.497 1.00 22.99 ? 112 LEU C CD1 1 ATOM 3740 C CD2 . LEU C 3 111 ? -3.045 45.300 -29.093 1.00 25.23 ? 112 LEU C CD2 1 ATOM 3741 N N . ILE C 3 112 ? -2.615 49.724 -31.130 1.00 27.74 ? 113 ILE C N 1 ATOM 3742 C CA . ILE C 3 112 ? -3.790 50.547 -30.892 1.00 27.89 ? 113 ILE C CA 1 ATOM 3743 C C . ILE C 3 112 ? -5.043 49.746 -31.239 1.00 27.91 ? 113 ILE C C 1 ATOM 3744 O O . ILE C 3 112 ? -5.150 49.176 -32.332 1.00 28.14 ? 113 ILE C O 1 ATOM 3745 C CB . ILE C 3 112 ? -3.784 51.856 -31.671 1.00 29.25 ? 113 ILE C CB 1 ATOM 3746 C CG1 . ILE C 3 112 ? -2.649 52.780 -31.196 1.00 29.68 ? 113 ILE C CG1 1 ATOM 3747 C CG2 . ILE C 3 112 ? -5.155 52.577 -31.531 1.00 29.55 ? 113 ILE C CG2 1 ATOM 3748 C CD1 . ILE C 3 112 ? -2.514 54.032 -32.027 1.00 31.04 ? 113 ILE C CD1 1 ATOM 3749 N N . VAL C 3 113 ? -5.985 49.705 -30.300 1.00 27.96 ? 114 VAL C N 1 ATOM 3750 C CA . VAL C 3 113 ? -7.248 49.014 -30.503 1.00 27.49 ? 114 VAL C CA 1 ATOM 3751 C C . VAL C 3 113 ? -8.348 50.063 -30.611 1.00 28.94 ? 114 VAL C C 1 ATOM 3752 O O . VAL C 3 113 ? -8.572 50.812 -29.653 1.00 31.48 ? 114 VAL C O 1 ATOM 3753 C CB . VAL C 3 113 ? -7.555 48.074 -29.337 1.00 27.25 ? 114 VAL C CB 1 ATOM 3754 C CG1 . VAL C 3 113 ? -8.920 47.388 -29.511 1.00 26.72 ? 114 VAL C CG1 1 ATOM 3755 C CG2 . VAL C 3 113 ? -6.465 47.067 -29.170 1.00 24.19 ? 114 VAL C CG2 1 ATOM 3756 N N . ILE C 3 114 ? -9.041 50.124 -31.746 1.00 51.90 ? 115 ILE C N 1 ATOM 3757 C CA . ILE C 3 114 ? -10.139 51.076 -31.901 1.00 47.83 ? 115 ILE C CA 1 ATOM 3758 C C . ILE C 3 114 ? -11.400 50.525 -31.237 1.00 46.86 ? 115 ILE C C 1 ATOM 3759 O O . ILE C 3 114 ? -11.842 49.431 -31.562 1.00 48.09 ? 115 ILE C O 1 ATOM 3760 C CB . ILE C 3 114 ? -10.414 51.427 -33.381 1.00 50.02 ? 115 ILE C CB 1 ATOM 3761 C CG1 . ILE C 3 114 ? -9.171 52.032 -34.031 1.00 50.14 ? 115 ILE C CG1 1 ATOM 3762 C CG2 . ILE C 3 114 ? -11.587 52.423 -33.517 1.00 46.40 ? 115 ILE C CG2 1 ATOM 3763 C CD1 . ILE C 3 114 ? -9.092 51.726 -35.501 1.00 52.18 ? 115 ILE C CD1 1 ATOM 3764 N N . PRO C 3 115 ? -11.974 51.294 -30.286 1.00 44.34 ? 116 PRO C N 1 ATOM 3765 C CA . PRO C 3 115 ? -13.155 50.858 -29.537 1.00 44.42 ? 116 PRO C CA 1 ATOM 3766 C C . PRO C 3 115 ? -14.421 50.884 -30.385 1.00 46.25 ? 116 PRO C C 1 ATOM 3767 O O . PRO C 3 115 ? -14.580 51.773 -31.223 1.00 46.06 ? 116 PRO C O 1 ATOM 3768 C CB . PRO C 3 115 ? -13.265 51.893 -28.411 1.00 41.01 ? 116 PRO C CB 1 ATOM 3769 C CG . PRO C 3 115 ? -12.591 53.113 -28.940 1.00 40.00 ? 116 PRO C CG 1 ATOM 3770 C CD . PRO C 3 115 ? -11.496 52.621 -29.852 1.00 41.20 ? 116 PRO C CD 1 ATOM 3771 N N . ASP C 3 116 ? -15.290 49.907 -30.150 1.00 48.73 ? 117 ASP C N 1 ATOM 3772 C CA . ASP C 3 116 ? -16.596 49.803 -30.798 1.00 52.64 ? 117 ASP C CA 1 ATOM 3773 C C . ASP C 3 116 ? -17.572 50.780 -30.152 1.00 51.06 ? 117 ASP C C 1 ATOM 3774 O O . ASP C 3 116 ? -17.849 50.681 -28.955 1.00 50.82 ? 117 ASP C O 1 ATOM 3775 C CB . ASP C 3 116 ? -17.122 48.389 -30.593 1.00 55.66 ? 117 ASP C CB 1 ATOM 3776 C CG . ASP C 3 116 ? -17.802 47.826 -31.807 1.00 61.93 ? 117 ASP C CG 1 ATOM 3777 O OD1 . ASP C 3 116 ? -18.663 48.510 -32.438 1.00 64.06 ? 117 ASP C OD1 1 ATOM 3778 O OD2 . ASP C 3 116 ? -17.493 46.651 -32.109 1.00 69.26 ? 117 ASP C OD2 1 ATOM 3779 N N . ILE C 3 117 ? -18.055 51.759 -30.907 1.00 51.69 ? 118 ILE C N 1 ATOM 3780 C CA . ILE C 3 117 ? -19.104 52.661 -30.388 1.00 51.10 ? 118 ILE C CA 1 ATOM 3781 C C . ILE C 3 117 ? -20.430 52.199 -30.984 1.00 54.47 ? 118 ILE C C 1 ATOM 3782 O O . ILE C 3 117 ? -20.682 52.401 -32.176 1.00 56.53 ? 118 ILE C O 1 ATOM 3783 C CB . ILE C 3 117 ? -18.843 54.144 -30.746 1.00 49.30 ? 118 ILE C CB 1 ATOM 3784 C CG1 . ILE C 3 117 ? -17.442 54.573 -30.307 1.00 46.27 ? 118 ILE C CG1 1 ATOM 3785 C CG2 . ILE C 3 117 ? -19.974 55.069 -30.186 1.00 48.94 ? 118 ILE C CG2 1 ATOM 3786 C CD1 . ILE C 3 117 ? -17.241 54.675 -28.803 1.00 42.16 ? 118 ILE C CD1 1 ATOM 3787 N N . GLN C 3 118 ? -21.261 51.544 -30.178 1.00 56.05 ? 119 GLN C N 1 ATOM 3788 C CA . GLN C 3 118 ? -22.455 50.899 -30.748 1.00 60.52 ? 119 GLN C CA 1 ATOM 3789 C C . GLN C 3 118 ? -23.671 51.835 -30.839 1.00 61.18 ? 119 GLN C C 1 ATOM 3790 O O . GLN C 3 118 ? -24.550 51.621 -31.679 1.00 64.60 ? 119 GLN C O 1 ATOM 3791 C CB . GLN C 3 118 ? -22.798 49.566 -30.049 1.00 62.58 ? 119 GLN C CB 1 ATOM 3792 N N . ASN C 3 119 ? -23.715 52.870 -30.000 1.00 58.65 ? 120 ASN C N 1 ATOM 3793 C CA . ASN C 3 119 ? -24.826 53.825 -30.051 1.00 59.73 ? 120 ASN C CA 1 ATOM 3794 C C . ASN C 3 119 ? -24.386 55.295 -30.086 1.00 57.07 ? 120 ASN C C 1 ATOM 3795 O O . ASN C 3 119 ? -24.577 56.028 -29.106 1.00 55.33 ? 120 ASN C O 1 ATOM 3796 C CB . ASN C 3 119 ? -25.804 53.566 -28.902 1.00 60.83 ? 120 ASN C CB 1 ATOM 3797 C CG . ASN C 3 119 ? -26.384 52.162 -28.942 1.00 64.49 ? 120 ASN C CG 1 ATOM 3798 O OD1 . ASN C 3 119 ? -26.165 51.363 -28.023 1.00 65.29 ? 120 ASN C OD1 1 ATOM 3799 N ND2 . ASN C 3 119 ? -27.104 51.845 -30.017 1.00 67.25 ? 120 ASN C ND2 1 ATOM 3800 N N . PRO C 3 120 ? -23.802 55.730 -31.225 1.00 56.77 ? 121 PRO C N 1 ATOM 3801 C CA . PRO C 3 120 ? -23.321 57.107 -31.347 1.00 54.49 ? 121 PRO C CA 1 ATOM 3802 C C . PRO C 3 120 ? -24.450 58.153 -31.369 1.00 55.83 ? 121 PRO C C 1 ATOM 3803 O O . PRO C 3 120 ? -25.464 57.983 -32.049 1.00 59.22 ? 121 PRO C O 1 ATOM 3804 C CB . PRO C 3 120 ? -22.555 57.102 -32.673 1.00 55.40 ? 121 PRO C CB 1 ATOM 3805 C CG . PRO C 3 120 ? -23.127 55.967 -33.449 1.00 58.96 ? 121 PRO C CG 1 ATOM 3806 C CD . PRO C 3 120 ? -23.593 54.951 -32.462 1.00 59.01 ? 121 PRO C CD 1 ATOM 3807 N N . ASP C 3 121 ? -24.239 59.233 -30.624 1.00 53.60 ? 122 ASP C N 1 ATOM 3808 C CA . ASP C 3 121 ? -25.192 60.314 -30.487 1.00 54.48 ? 122 ASP C CA 1 ATOM 3809 C C . ASP C 3 121 ? -24.422 61.645 -30.572 1.00 52.22 ? 122 ASP C C 1 ATOM 3810 O O . ASP C 3 121 ? -24.412 62.424 -29.615 1.00 50.28 ? 122 ASP C O 1 ATOM 3811 C CB . ASP C 3 121 ? -25.880 60.176 -29.130 1.00 54.26 ? 122 ASP C CB 1 ATOM 3812 C CG . ASP C 3 121 ? -27.072 61.063 -28.996 1.00 57.35 ? 122 ASP C CG 1 ATOM 3813 O OD1 . ASP C 3 121 ? -27.332 61.868 -29.916 1.00 60.12 ? 122 ASP C OD1 1 ATOM 3814 O OD2 . ASP C 3 121 ? -27.760 60.952 -27.965 1.00 60.32 ? 122 ASP C OD2 1 ATOM 3815 N N . PRO C 3 122 ? -23.780 61.909 -31.728 1.00 52.49 ? 123 PRO C N 1 ATOM 3816 C CA . PRO C 3 122 ? -22.827 63.018 -31.882 1.00 50.79 ? 123 PRO C CA 1 ATOM 3817 C C . PRO C 3 122 ? -23.414 64.390 -31.537 1.00 51.39 ? 123 PRO C C 1 ATOM 3818 O O . PRO C 3 122 ? -24.442 64.798 -32.099 1.00 54.13 ? 123 PRO C O 1 ATOM 3819 C CB . PRO C 3 122 ? -22.445 62.956 -33.365 1.00 53.21 ? 123 PRO C CB 1 ATOM 3820 C CG . PRO C 3 122 ? -23.555 62.199 -34.015 1.00 56.34 ? 123 PRO C CG 1 ATOM 3821 C CD . PRO C 3 122 ? -24.006 61.205 -33.005 1.00 55.00 ? 123 PRO C CD 1 ATOM 3822 N N . ALA C 3 123 ? -22.758 65.092 -30.612 1.00 48.55 ? 124 ALA C N 1 ATOM 3823 C CA . ALA C 3 123 ? -23.236 66.397 -30.169 1.00 48.85 ? 124 ALA C CA 1 ATOM 3824 C C . ALA C 3 123 ? -22.104 67.367 -29.860 1.00 47.07 ? 124 ALA C C 1 ATOM 3825 O O . ALA C 3 123 ? -20.971 66.966 -29.598 1.00 44.48 ? 124 ALA C O 1 ATOM 3826 C CB . ALA C 3 123 ? -24.130 66.242 -28.975 1.00 48.45 ? 124 ALA C CB 1 ATOM 3827 N N . VAL C 3 124 ? -22.415 68.655 -29.916 1.00 48.64 ? 125 VAL C N 1 ATOM 3828 C CA . VAL C 3 124 ? -21.469 69.662 -29.456 1.00 47.19 ? 125 VAL C CA 1 ATOM 3829 C C . VAL C 3 124 ? -22.114 70.478 -28.342 1.00 47.54 ? 125 VAL C C 1 ATOM 3830 O O . VAL C 3 124 ? -23.050 71.245 -28.587 1.00 50.44 ? 125 VAL C O 1 ATOM 3831 C CB . VAL C 3 124 ? -20.971 70.558 -30.605 1.00 49.40 ? 125 VAL C CB 1 ATOM 3832 C CG1 . VAL C 3 124 ? -20.088 71.685 -30.059 1.00 48.40 ? 125 VAL C CG1 1 ATOM 3833 C CG2 . VAL C 3 124 ? -20.221 69.715 -31.650 1.00 48.57 ? 125 VAL C CG2 1 ATOM 3834 N N . TYR C 3 125 ? -21.623 70.280 -27.116 1.00 44.96 ? 126 TYR C N 1 ATOM 3835 C CA . TYR C 3 125 ? -22.146 70.974 -25.941 1.00 45.33 ? 126 TYR C CA 1 ATOM 3836 C C . TYR C 3 125 ? -21.250 72.127 -25.493 1.00 44.89 ? 126 TYR C C 1 ATOM 3837 O O . TYR C 3 125 ? -20.034 72.098 -25.693 1.00 42.99 ? 126 TYR C O 1 ATOM 3838 C CB . TYR C 3 125 ? -22.315 69.988 -24.780 1.00 44.02 ? 126 TYR C CB 1 ATOM 3839 C CG . TYR C 3 125 ? -23.215 68.815 -25.097 1.00 43.78 ? 126 TYR C CG 1 ATOM 3840 C CD1 . TYR C 3 125 ? -24.569 69.004 -25.355 1.00 45.08 ? 126 TYR C CD1 1 ATOM 3841 C CD2 . TYR C 3 125 ? -22.708 67.510 -25.132 1.00 42.87 ? 126 TYR C CD2 1 ATOM 3842 C CE1 . TYR C 3 125 ? -25.403 67.930 -25.651 1.00 46.46 ? 126 TYR C CE1 1 ATOM 3843 C CE2 . TYR C 3 125 ? -23.536 66.423 -25.439 1.00 43.19 ? 126 TYR C CE2 1 ATOM 3844 C CZ . TYR C 3 125 ? -24.883 66.649 -25.694 1.00 44.63 ? 126 TYR C CZ 1 ATOM 3845 O OH . TYR C 3 125 ? -25.708 65.595 -25.982 1.00 45.34 ? 126 TYR C OH 1 ATOM 3846 N N . GLN C 3 126 ? -21.862 73.136 -24.885 1.00 46.88 ? 127 GLN C N 1 ATOM 3847 C CA . GLN C 3 126 ? -21.107 74.204 -24.239 1.00 47.31 ? 127 GLN C CA 1 ATOM 3848 C C . GLN C 3 126 ? -21.089 74.014 -22.718 1.00 46.37 ? 127 GLN C C 1 ATOM 3849 O O . GLN C 3 126 ? -22.135 73.849 -22.094 1.00 48.05 ? 127 GLN C O 1 ATOM 3850 C CB . GLN C 3 126 ? -21.686 75.576 -24.590 1.00 50.58 ? 127 GLN C CB 1 ATOM 3851 C CG . GLN C 3 126 ? -20.774 76.743 -24.218 1.00 51.98 ? 127 GLN C CG 1 ATOM 3852 C CD . GLN C 3 126 ? -21.272 78.075 -24.782 1.00 59.45 ? 127 GLN C CD 1 ATOM 3853 O OE1 . GLN C 3 126 ? -22.481 78.326 -24.841 1.00 61.76 ? 127 GLN C OE1 1 ATOM 3854 N NE2 . GLN C 3 126 ? -20.338 78.935 -25.205 1.00 60.70 ? 127 GLN C NE2 1 ATOM 3855 N N . LEU C 3 127 ? -19.891 74.037 -22.142 1.00 44.17 ? 128 LEU C N 1 ATOM 3856 C CA . LEU C 3 127 ? -19.693 73.893 -20.697 1.00 43.79 ? 128 LEU C CA 1 ATOM 3857 C C . LEU C 3 127 ? -19.132 75.182 -20.135 1.00 45.16 ? 128 LEU C C 1 ATOM 3858 O O . LEU C 3 127 ? -18.234 75.767 -20.730 1.00 45.44 ? 128 LEU C O 1 ATOM 3859 C CB . LEU C 3 127 ? -18.709 72.744 -20.401 1.00 40.23 ? 128 LEU C CB 1 ATOM 3860 C CG . LEU C 3 127 ? -19.194 71.327 -20.674 1.00 37.99 ? 128 LEU C CG 1 ATOM 3861 C CD1 . LEU C 3 127 ? -19.473 71.141 -22.162 1.00 36.66 ? 128 LEU C CD1 1 ATOM 3862 C CD2 . LEU C 3 127 ? -18.166 70.274 -20.190 1.00 33.64 ? 128 LEU C CD2 1 ATOM 3863 N N . ARG C 3 128 ? -19.628 75.619 -18.988 1.00 47.21 ? 129 ARG C N 1 ATOM 3864 C CA . ARG C 3 128 ? -19.106 76.848 -18.407 1.00 49.74 ? 129 ARG C CA 1 ATOM 3865 C C . ARG C 3 128 ? -18.201 76.631 -17.180 1.00 49.20 ? 129 ARG C C 1 ATOM 3866 O O . ARG C 3 128 ? -18.380 75.672 -16.426 1.00 47.64 ? 129 ARG C O 1 ATOM 3867 C CB . ARG C 3 128 ? -20.242 77.844 -18.132 1.00 53.78 ? 129 ARG C CB 1 ATOM 3868 C CG . ARG C 3 128 ? -21.009 78.276 -19.407 1.00 57.62 ? 129 ARG C CG 1 ATOM 3869 C CD . ARG C 3 128 ? -21.938 79.439 -19.093 1.00 66.55 ? 129 ARG C CD 1 ATOM 3870 N NE . ARG C 3 128 ? -22.447 80.161 -20.268 1.00 72.16 ? 129 ARG C NE 1 ATOM 3871 C CZ . ARG C 3 128 ? -21.713 80.924 -21.086 1.00 74.64 ? 129 ARG C CZ 1 ATOM 3872 N NH1 . ARG C 3 128 ? -20.398 81.052 -20.908 1.00 73.91 ? 129 ARG C NH1 1 ATOM 3873 N NH2 . ARG C 3 128 ? -22.296 81.551 -22.105 1.00 77.68 ? 129 ARG C NH2 1 ATOM 3874 N N . ASP C 3 129 ? -17.224 77.531 -17.026 1.00 50.78 ? 130 ASP C N 1 ATOM 3875 C CA . ASP C 3 129 ? -16.254 77.566 -15.934 1.00 52.03 ? 130 ASP C CA 1 ATOM 3876 C C . ASP C 3 129 ? -16.926 77.667 -14.567 1.00 55.09 ? 130 ASP C C 1 ATOM 3877 O O . ASP C 3 129 ? -17.810 78.499 -14.356 1.00 57.81 ? 130 ASP C O 1 ATOM 3878 C CB . ASP C 3 129 ? -15.307 78.763 -16.143 1.00 53.90 ? 130 ASP C CB 1 ATOM 3879 C CG . ASP C 3 129 ? -14.090 78.761 -15.203 1.00 54.99 ? 130 ASP C CG 1 ATOM 3880 O OD1 . ASP C 3 129 ? -14.247 78.583 -13.980 1.00 56.51 ? 130 ASP C OD1 1 ATOM 3881 O OD2 . ASP C 3 129 ? -12.962 78.978 -15.700 1.00 57.22 ? 130 ASP C OD2 1 ATOM 3882 N N . SER C 3 130 ? -16.461 76.825 -13.645 1.00 55.46 ? 131 SER C N 1 ATOM 3883 C CA . SER C 3 130 ? -16.985 76.743 -12.282 1.00 59.09 ? 131 SER C CA 1 ATOM 3884 C C . SER C 3 130 ? -16.905 78.065 -11.527 1.00 63.29 ? 131 SER C C 1 ATOM 3885 O O . SER C 3 130 ? -17.828 78.414 -10.790 1.00 66.40 ? 131 SER C O 1 ATOM 3886 C CB . SER C 3 130 ? -16.273 75.627 -11.492 1.00 58.17 ? 131 SER C CB 1 ATOM 3887 O OG . SER C 3 130 ? -15.141 76.101 -10.766 1.00 60.35 ? 131 SER C OG 1 ATOM 3888 N N . LYS C 3 131 ? -15.808 78.798 -11.717 1.00 64.04 ? 132 LYS C N 1 ATOM 3889 C CA . LYS C 3 131 ? -15.574 80.036 -10.968 1.00 68.71 ? 132 LYS C CA 1 ATOM 3890 C C . LYS C 3 131 ? -15.791 81.291 -11.809 1.00 70.56 ? 132 LYS C C 1 ATOM 3891 O O . LYS C 3 131 ? -16.058 82.356 -11.267 1.00 74.57 ? 132 LYS C O 1 ATOM 3892 C CB . LYS C 3 131 ? -14.174 80.040 -10.336 1.00 69.06 ? 132 LYS C CB 1 ATOM 3893 N N . SER C 3 132 ? -15.680 81.169 -13.127 1.00 68.70 ? 133 SER C N 1 ATOM 3894 C CA . SER C 3 132 ? -15.838 82.329 -14.001 1.00 71.19 ? 133 SER C CA 1 ATOM 3895 C C . SER C 3 132 ? -16.822 82.062 -15.139 1.00 70.10 ? 133 SER C C 1 ATOM 3896 O O . SER C 3 132 ? -16.431 81.608 -16.219 1.00 67.36 ? 133 SER C O 1 ATOM 3897 C CB . SER C 3 132 ? -14.488 82.788 -14.557 1.00 70.66 ? 133 SER C CB 1 ATOM 3898 O OG . SER C 3 132 ? -14.650 83.996 -15.288 1.00 74.87 ? 133 SER C OG 1 ATOM 3899 N N . SER C 3 133 ? -18.095 82.362 -14.879 1.00 72.50 ? 134 SER C N 1 ATOM 3900 C CA . SER C 3 133 ? -19.194 82.162 -15.831 1.00 72.10 ? 134 SER C CA 1 ATOM 3901 C C . SER C 3 133 ? -18.866 82.630 -17.261 1.00 71.42 ? 134 SER C C 1 ATOM 3902 O O . SER C 3 133 ? -19.287 81.988 -18.242 1.00 69.77 ? 134 SER C O 1 ATOM 3903 C CB . SER C 3 133 ? -20.462 82.854 -15.312 1.00 76.62 ? 134 SER C CB 1 ATOM 3904 O OG . SER C 3 133 ? -20.158 84.113 -14.724 1.00 80.19 ? 134 SER C OG 1 ATOM 3905 N N . ASP C 3 134 ? -18.109 83.734 -17.352 1.00 72.60 ? 135 ASP C N 1 ATOM 3906 C CA . ASP C 3 134 ? -17.543 84.271 -18.607 1.00 71.96 ? 135 ASP C CA 1 ATOM 3907 C C . ASP C 3 134 ? -16.879 83.234 -19.538 1.00 67.43 ? 135 ASP C C 1 ATOM 3908 O O . ASP C 3 134 ? -17.111 83.239 -20.745 1.00 67.37 ? 135 ASP C O 1 ATOM 3909 C CB . ASP C 3 134 ? -16.528 85.380 -18.290 1.00 74.46 ? 135 ASP C CB 1 ATOM 3910 N N . LYS C 3 135 ? -16.051 82.355 -18.979 1.00 63.53 ? 136 LYS C N 1 ATOM 3911 C CA . LYS C 3 135 ? -15.299 81.407 -19.792 1.00 59.43 ? 136 LYS C CA 1 ATOM 3912 C C . LYS C 3 135 ? -16.067 80.089 -20.034 1.00 55.69 ? 136 LYS C C 1 ATOM 3913 O O . LYS C 3 135 ? -16.827 79.618 -19.183 1.00 54.93 ? 136 LYS C O 1 ATOM 3914 C CB . LYS C 3 135 ? -13.887 81.206 -19.202 1.00 58.52 ? 136 LYS C CB 1 ATOM 3915 C CG . LYS C 3 135 ? -12.961 80.195 -19.931 1.00 57.98 ? 136 LYS C CG 1 ATOM 3916 C CD . LYS C 3 135 ? -12.550 80.607 -21.368 1.00 60.64 ? 136 LYS C CD 1 ATOM 3917 C CE . LYS C 3 135 ? -11.787 79.474 -22.106 1.00 57.19 ? 136 LYS C CE 1 ATOM 3918 N NZ . LYS C 3 135 ? -10.537 79.025 -21.403 1.00 55.78 ? 136 LYS C NZ 1 ATOM 3919 N N . SER C 3 136 ? -15.888 79.526 -21.222 1.00 53.04 ? 137 SER C N 1 ATOM 3920 C CA . SER C 3 136 ? -16.492 78.242 -21.563 1.00 50.30 ? 137 SER C CA 1 ATOM 3921 C C . SER C 3 136 ? -15.595 77.368 -22.448 1.00 47.09 ? 137 SER C C 1 ATOM 3922 O O . SER C 3 136 ? -14.572 77.824 -22.942 1.00 47.22 ? 137 SER C O 1 ATOM 3923 C CB . SER C 3 136 ? -17.845 78.459 -22.234 1.00 52.28 ? 137 SER C CB 1 ATOM 3924 O OG . SER C 3 136 ? -17.697 79.271 -23.384 1.00 55.63 ? 137 SER C OG 1 ATOM 3925 N N . VAL C 3 137 ? -15.972 76.104 -22.608 1.00 44.32 ? 138 VAL C N 1 ATOM 3926 C CA . VAL C 3 137 ? -15.341 75.214 -23.586 1.00 42.52 ? 138 VAL C CA 1 ATOM 3927 C C . VAL C 3 137 ? -16.438 74.603 -24.449 1.00 42.83 ? 138 VAL C C 1 ATOM 3928 O O . VAL C 3 137 ? -17.614 74.630 -24.076 1.00 43.42 ? 138 VAL C O 1 ATOM 3929 C CB . VAL C 3 137 ? -14.434 74.064 -22.929 1.00 40.25 ? 138 VAL C CB 1 ATOM 3930 C CG1 . VAL C 3 137 ? -13.310 74.652 -22.085 1.00 40.09 ? 138 VAL C CG1 1 ATOM 3931 C CG2 . VAL C 3 137 ? -15.252 73.093 -22.086 1.00 38.00 ? 138 VAL C CG2 1 ATOM 3932 N N . CYS C 3 138 ? -16.057 74.068 -25.604 1.00 42.76 ? 139 CYS C N 1 ATOM 3933 C CA . CYS C 3 138 ? -16.978 73.329 -26.447 1.00 43.67 ? 139 CYS C CA 1 ATOM 3934 C C . CYS C 3 138 ? -16.590 71.861 -26.500 1.00 41.30 ? 139 CYS C C 1 ATOM 3935 O O . CYS C 3 138 ? -15.438 71.528 -26.761 1.00 40.27 ? 139 CYS C O 1 ATOM 3936 C CB . CYS C 3 138 ? -17.012 73.925 -27.852 1.00 46.35 ? 139 CYS C CB 1 ATOM 3937 S SG . CYS C 3 138 ? -17.441 75.638 -27.805 1.00 51.82 ? 139 CYS C SG 1 ATOM 3938 N N . LEU C 3 139 ? -17.562 70.994 -26.239 1.00 40.89 ? 140 LEU C N 1 ATOM 3939 C CA . LEU C 3 139 ? -17.309 69.566 -26.128 1.00 39.72 ? 140 LEU C CA 1 ATOM 3940 C C . LEU C 3 139 ? -18.037 68.824 -27.235 1.00 40.96 ? 140 LEU C C 1 ATOM 3941 O O . LEU C 3 139 ? -19.270 68.813 -27.262 1.00 43.06 ? 140 LEU C O 1 ATOM 3942 C CB . LEU C 3 139 ? -17.750 69.036 -24.752 1.00 38.09 ? 140 LEU C CB 1 ATOM 3943 C CG . LEU C 3 139 ? -17.647 67.519 -24.525 1.00 38.12 ? 140 LEU C CG 1 ATOM 3944 C CD1 . LEU C 3 139 ? -16.205 67.064 -24.140 1.00 36.39 ? 140 LEU C CD1 1 ATOM 3945 C CD2 . LEU C 3 139 ? -18.635 67.058 -23.492 1.00 37.75 ? 140 LEU C CD2 1 ATOM 3946 N N . PHE C 3 140 ? -17.271 68.232 -28.148 1.00 40.59 ? 141 PHE C N 1 ATOM 3947 C CA . PHE C 3 140 ? -17.801 67.417 -29.230 1.00 41.76 ? 141 PHE C CA 1 ATOM 3948 C C . PHE C 3 140 ? -17.701 65.991 -28.716 1.00 40.67 ? 141 PHE C C 1 ATOM 3949 O O . PHE C 3 140 ? -16.600 65.533 -28.391 1.00 40.13 ? 141 PHE C O 1 ATOM 3950 C CB . PHE C 3 140 ? -16.939 67.605 -30.483 1.00 43.01 ? 141 PHE C CB 1 ATOM 3951 C CG . PHE C 3 140 ? -17.361 66.777 -31.691 1.00 44.54 ? 141 PHE C CG 1 ATOM 3952 C CD1 . PHE C 3 140 ? -18.704 66.493 -31.956 1.00 47.03 ? 141 PHE C CD1 1 ATOM 3953 C CD2 . PHE C 3 140 ? -16.403 66.354 -32.611 1.00 44.36 ? 141 PHE C CD2 1 ATOM 3954 C CE1 . PHE C 3 140 ? -19.075 65.770 -33.108 1.00 48.27 ? 141 PHE C CE1 1 ATOM 3955 C CE2 . PHE C 3 140 ? -16.761 65.617 -33.760 1.00 46.86 ? 141 PHE C CE2 1 ATOM 3956 C CZ . PHE C 3 140 ? -18.093 65.326 -34.003 1.00 47.55 ? 141 PHE C CZ 1 ATOM 3957 N N . THR C 3 141 ? -18.830 65.295 -28.630 1.00 40.61 ? 142 THR C N 1 ATOM 3958 C CA . THR C 3 141 ? -18.843 64.008 -27.962 1.00 39.61 ? 142 THR C CA 1 ATOM 3959 C C . THR C 3 141 ? -19.794 63.001 -28.597 1.00 41.35 ? 142 THR C C 1 ATOM 3960 O O . THR C 3 141 ? -20.671 63.369 -29.379 1.00 43.11 ? 142 THR C O 1 ATOM 3961 C CB . THR C 3 141 ? -19.193 64.180 -26.444 1.00 38.53 ? 142 THR C CB 1 ATOM 3962 O OG1 . THR C 3 141 ? -19.095 62.921 -25.780 1.00 37.70 ? 142 THR C OG1 1 ATOM 3963 C CG2 . THR C 3 141 ? -20.597 64.732 -26.258 1.00 38.98 ? 142 THR C CG2 1 ATOM 3964 N N . ASP C 3 142 ? -19.606 61.733 -28.234 1.00 40.84 ? 143 ASP C N 1 ATOM 3965 C CA . ASP C 3 142 ? -20.485 60.623 -28.651 1.00 42.51 ? 143 ASP C CA 1 ATOM 3966 C C . ASP C 3 142 ? -20.510 60.327 -30.166 1.00 44.56 ? 143 ASP C C 1 ATOM 3967 O O . ASP C 3 142 ? -21.478 59.770 -30.689 1.00 46.65 ? 143 ASP C O 1 ATOM 3968 C CB . ASP C 3 142 ? -21.905 60.803 -28.085 1.00 43.71 ? 143 ASP C CB 1 ATOM 3969 C CG . ASP C 3 142 ? -21.923 61.052 -26.577 1.00 44.00 ? 143 ASP C CG 1 ATOM 3970 O OD1 . ASP C 3 142 ? -20.927 60.760 -25.886 1.00 43.31 ? 143 ASP C OD1 1 ATOM 3971 O OD2 . ASP C 3 142 ? -22.944 61.561 -26.072 1.00 47.45 ? 143 ASP C OD2 1 ATOM 3972 N N . PHE C 3 143 ? -19.441 60.680 -30.870 1.00 44.09 ? 144 PHE C N 1 ATOM 3973 C CA . PHE C 3 143 ? -19.319 60.322 -32.278 1.00 46.21 ? 144 PHE C CA 1 ATOM 3974 C C . PHE C 3 143 ? -18.647 58.951 -32.408 1.00 47.55 ? 144 PHE C C 1 ATOM 3975 O O . PHE C 3 143 ? -17.910 58.534 -31.501 1.00 44.57 ? 144 PHE C O 1 ATOM 3976 C CB . PHE C 3 143 ? -18.541 61.396 -33.051 1.00 46.30 ? 144 PHE C CB 1 ATOM 3977 C CG . PHE C 3 143 ? -17.243 61.826 -32.390 1.00 42.76 ? 144 PHE C CG 1 ATOM 3978 C CD1 . PHE C 3 143 ? -16.040 61.158 -32.663 1.00 43.48 ? 144 PHE C CD1 1 ATOM 3979 C CD2 . PHE C 3 143 ? -17.219 62.894 -31.510 1.00 39.41 ? 144 PHE C CD2 1 ATOM 3980 C CE1 . PHE C 3 143 ? -14.828 61.555 -32.070 1.00 39.28 ? 144 PHE C CE1 1 ATOM 3981 C CE2 . PHE C 3 143 ? -16.017 63.295 -30.903 1.00 37.79 ? 144 PHE C CE2 1 ATOM 3982 C CZ . PHE C 3 143 ? -14.823 62.625 -31.189 1.00 37.51 ? 144 PHE C CZ 1 ATOM 3983 N N . ASP C 3 144 ? -18.898 58.244 -33.515 1.00 51.43 ? 145 ASP C N 1 ATOM 3984 C CA . ASP C 3 144 ? -18.243 56.949 -33.721 1.00 54.31 ? 145 ASP C CA 1 ATOM 3985 C C . ASP C 3 144 ? -16.795 57.132 -34.207 1.00 55.27 ? 145 ASP C C 1 ATOM 3986 O O . ASP C 3 144 ? -16.320 58.261 -34.369 1.00 54.97 ? 145 ASP C O 1 ATOM 3987 C CB . ASP C 3 144 ? -19.065 55.987 -34.614 1.00 58.19 ? 145 ASP C CB 1 ATOM 3988 C CG . ASP C 3 144 ? -19.076 56.385 -36.081 1.00 62.97 ? 145 ASP C CG 1 ATOM 3989 O OD1 . ASP C 3 144 ? -18.715 57.531 -36.423 1.00 64.81 ? 145 ASP C OD1 1 ATOM 3990 O OD2 . ASP C 3 144 ? -19.463 55.536 -36.914 1.00 71.07 ? 145 ASP C OD2 1 ATOM 3991 N N . SER C 3 145 ? -16.097 56.028 -34.440 1.00 57.67 ? 146 SER C N 1 ATOM 3992 C CA . SER C 3 145 ? -14.653 56.109 -34.626 1.00 58.65 ? 146 SER C CA 1 ATOM 3993 C C . SER C 3 145 ? -14.228 56.323 -36.086 1.00 62.72 ? 146 SER C C 1 ATOM 3994 O O . SER C 3 145 ? -13.042 56.329 -36.411 1.00 64.79 ? 146 SER C O 1 ATOM 3995 C CB . SER C 3 145 ? -13.951 54.921 -33.941 1.00 58.80 ? 146 SER C CB 1 ATOM 3996 O OG . SER C 3 145 ? -13.986 55.049 -32.505 1.00 54.17 ? 146 SER C OG 1 ATOM 3997 N N . GLN C 3 146 ? -15.197 56.541 -36.963 1.00 65.12 ? 147 GLN C N 1 ATOM 3998 C CA . GLN C 3 146 ? -14.876 56.964 -38.316 1.00 68.86 ? 147 GLN C CA 1 ATOM 3999 C C . GLN C 3 146 ? -14.858 58.504 -38.405 1.00 67.93 ? 147 GLN C C 1 ATOM 4000 O O . GLN C 3 146 ? -14.617 59.073 -39.477 1.00 71.30 ? 147 GLN C O 1 ATOM 4001 C CB . GLN C 3 146 ? -15.827 56.326 -39.343 1.00 72.67 ? 147 GLN C CB 1 ATOM 4002 N N . THR C 3 147 ? -15.097 59.176 -37.280 1.00 63.64 ? 148 THR C N 1 ATOM 4003 C CA . THR C 3 147 ? -14.966 60.635 -37.231 1.00 62.76 ? 148 THR C CA 1 ATOM 4004 C C . THR C 3 147 ? -13.549 61.056 -36.829 1.00 61.42 ? 148 THR C C 1 ATOM 4005 O O . THR C 3 147 ? -13.011 60.573 -35.837 1.00 59.16 ? 148 THR C O 1 ATOM 4006 C CB . THR C 3 147 ? -16.027 61.292 -36.295 1.00 60.22 ? 148 THR C CB 1 ATOM 4007 O OG1 . THR C 3 147 ? -17.339 61.084 -36.840 1.00 62.54 ? 148 THR C OG1 1 ATOM 4008 C CG2 . THR C 3 147 ? -15.783 62.790 -36.161 1.00 58.42 ? 148 THR C CG2 1 ATOM 4009 N N . ASN C 3 148 ? -12.954 61.941 -37.626 1.00 63.82 ? 149 ASN C N 1 ATOM 4010 C CA . ASN C 3 148 ? -11.647 62.538 -37.339 1.00 63.30 ? 149 ASN C CA 1 ATOM 4011 C C . ASN C 3 148 ? -11.853 63.964 -36.830 1.00 61.67 ? 149 ASN C C 1 ATOM 4012 O O . ASN C 3 148 ? -12.654 64.715 -37.392 1.00 63.37 ? 149 ASN C O 1 ATOM 4013 C CB . ASN C 3 148 ? -10.769 62.589 -38.606 1.00 67.80 ? 149 ASN C CB 1 ATOM 4014 C CG . ASN C 3 148 ? -10.508 61.215 -39.214 1.00 70.80 ? 149 ASN C CG 1 ATOM 4015 O OD1 . ASN C 3 148 ? -10.206 60.246 -38.507 1.00 70.27 ? 149 ASN C OD1 1 ATOM 4016 N ND2 . ASN C 3 148 ? -10.599 61.133 -40.536 1.00 74.53 ? 149 ASN C ND2 1 ATOM 4017 N N . VAL C 3 149 ? -11.151 64.340 -35.770 1.00 58.89 ? 150 VAL C N 1 ATOM 4018 C CA . VAL C 3 149 ? -11.185 65.726 -35.325 1.00 58.08 ? 150 VAL C CA 1 ATOM 4019 C C . VAL C 3 149 ? -9.986 66.468 -35.895 1.00 60.72 ? 150 VAL C C 1 ATOM 4020 O O . VAL C 3 149 ? -8.835 66.116 -35.624 1.00 60.93 ? 150 VAL C O 1 ATOM 4021 C CB . VAL C 3 149 ? -11.217 65.862 -33.796 1.00 54.35 ? 150 VAL C CB 1 ATOM 4022 C CG1 . VAL C 3 149 ? -11.286 67.331 -33.406 1.00 53.55 ? 150 VAL C CG1 1 ATOM 4023 C CG2 . VAL C 3 149 ? -12.405 65.085 -33.218 1.00 52.53 ? 150 VAL C CG2 1 ATOM 4024 N N . SER C 3 150 ? -10.263 67.486 -36.700 1.00 63.33 ? 151 SER C N 1 ATOM 4025 C CA . SER C 3 150 ? -9.208 68.299 -37.269 1.00 66.41 ? 151 SER C CA 1 ATOM 4026 C C . SER C 3 150 ? -8.846 69.447 -36.324 1.00 64.93 ? 151 SER C C 1 ATOM 4027 O O . SER C 3 150 ? -9.700 69.945 -35.586 1.00 62.61 ? 151 SER C O 1 ATOM 4028 C CB . SER C 3 150 ? -9.633 68.824 -38.639 1.00 71.02 ? 151 SER C CB 1 ATOM 4029 O OG . SER C 3 150 ? -9.708 67.764 -39.581 1.00 72.98 ? 151 SER C OG 1 ATOM 4030 N N . GLN C 3 151 ? -7.594 69.859 -36.358 1.00 66.44 ? 152 GLN C N 1 ATOM 4031 C CA . GLN C 3 151 ? -7.163 71.041 -35.671 1.00 66.37 ? 152 GLN C CA 1 ATOM 4032 C C . GLN C 3 151 ? -7.899 72.211 -36.264 1.00 68.71 ? 152 GLN C C 1 ATOM 4033 O O . GLN C 3 151 ? -8.440 72.089 -37.322 1.00 71.98 ? 152 GLN C O 1 ATOM 4034 C CB . GLN C 3 151 ? -5.688 71.218 -35.869 1.00 20.00 ? 152 GLN C CB 1 ATOM 4035 C CG . GLN C 3 151 ? -5.048 72.022 -34.804 1.00 20.00 ? 152 GLN C CG 1 ATOM 4036 C CD . GLN C 3 151 ? -5.133 71.359 -33.455 1.00 20.00 ? 152 GLN C CD 1 ATOM 4037 O OE1 . GLN C 3 151 ? -5.238 70.149 -33.366 1.00 20.00 ? 152 GLN C OE1 1 ATOM 4038 N NE2 . GLN C 3 151 ? -5.103 72.153 -32.400 1.00 20.00 ? 152 GLN C NE2 1 ATOM 4039 N N . SER C 3 152 ? -7.950 73.342 -35.577 1.00 67.60 ? 153 SER C N 1 ATOM 4040 C CA . SER C 3 152 ? -8.588 74.544 -36.154 1.00 70.37 ? 153 SER C CA 1 ATOM 4041 C C . SER C 3 152 ? -7.693 75.295 -37.148 1.00 75.04 ? 153 SER C C 1 ATOM 4042 O O . SER C 3 152 ? -6.467 75.152 -37.143 1.00 75.80 ? 153 SER C O 1 ATOM 4043 C CB . SER C 3 152 ? -9.087 75.511 -35.072 1.00 68.48 ? 153 SER C CB 1 ATOM 4044 O OG . SER C 3 152 ? -9.807 76.596 -35.660 1.00 71.53 ? 153 SER C OG 1 ATOM 4045 N N . LYS C 3 153 ? -8.328 76.101 -37.992 1.00 78.63 ? 154 LYS C N 1 ATOM 4046 C CA . LYS C 3 153 ? -7.612 76.948 -38.939 1.00 83.94 ? 154 LYS C CA 1 ATOM 4047 C C . LYS C 3 153 ? -7.155 78.246 -38.260 1.00 84.55 ? 154 LYS C C 1 ATOM 4048 O O . LYS C 3 153 ? -6.200 78.888 -38.709 1.00 88.51 ? 154 LYS C O 1 ATOM 4049 C CB . LYS C 3 153 ? -8.483 77.244 -40.166 1.00 88.22 ? 154 LYS C CB 1 ATOM 4050 N N . ASP C 3 154 ? -7.839 78.622 -37.180 1.00 80.95 ? 155 ASP C N 1 ATOM 4051 C CA . ASP C 3 154 ? -7.473 79.793 -36.383 1.00 81.16 ? 155 ASP C CA 1 ATOM 4052 C C . ASP C 3 154 ? -6.470 79.382 -35.293 1.00 77.37 ? 155 ASP C C 1 ATOM 4053 O O . ASP C 3 154 ? -6.710 78.438 -34.537 1.00 73.10 ? 155 ASP C O 1 ATOM 4054 C CB . ASP C 3 154 ? -8.737 80.444 -35.795 1.00 80.31 ? 155 ASP C CB 1 ATOM 4055 C CG . ASP C 3 154 ? -8.468 81.798 -35.135 1.00 82.98 ? 155 ASP C CG 1 ATOM 4056 O OD1 . ASP C 3 154 ? -8.849 82.837 -35.723 1.00 89.03 ? 155 ASP C OD1 1 ATOM 4057 O OD2 . ASP C 3 154 ? -7.891 81.828 -34.025 1.00 81.75 ? 155 ASP C OD2 1 ATOM 4058 N N . SER C 3 155 ? -5.344 80.089 -35.231 1.00 79.40 ? 156 SER C N 1 ATOM 4059 C CA . SER C 3 155 ? -4.261 79.763 -34.298 1.00 76.65 ? 156 SER C CA 1 ATOM 4060 C C . SER C 3 155 ? -4.601 80.102 -32.846 1.00 72.75 ? 156 SER C C 1 ATOM 4061 O O . SER C 3 155 ? -4.002 79.536 -31.920 1.00 70.23 ? 156 SER C O 1 ATOM 4062 C CB . SER C 3 155 ? -2.962 80.460 -34.714 1.00 81.35 ? 156 SER C CB 1 ATOM 4063 O OG . SER C 3 155 ? -3.092 81.868 -34.626 1.00 84.36 ? 156 SER C OG 1 ATOM 4064 N N . ASP C 3 156 ? -5.561 81.011 -32.651 1.00 72.30 ? 157 ASP C N 1 ATOM 4065 C CA . ASP C 3 156 ? -6.051 81.355 -31.310 1.00 68.92 ? 157 ASP C CA 1 ATOM 4066 C C . ASP C 3 156 ? -7.197 80.451 -30.831 1.00 63.91 ? 157 ASP C C 1 ATOM 4067 O O . ASP C 3 156 ? -7.771 80.671 -29.759 1.00 61.89 ? 157 ASP C O 1 ATOM 4068 C CB . ASP C 3 156 ? -6.445 82.838 -31.229 1.00 72.42 ? 157 ASP C CB 1 ATOM 4069 C CG . ASP C 3 156 ? -5.234 83.769 -31.190 1.00 77.37 ? 157 ASP C CG 1 ATOM 4070 O OD1 . ASP C 3 156 ? -5.422 84.992 -31.365 1.00 82.60 ? 157 ASP C OD1 1 ATOM 4071 O OD2 . ASP C 3 156 ? -4.092 83.291 -30.987 1.00 78.03 ? 157 ASP C OD2 1 ATOM 4072 N N . VAL C 3 157 ? -7.505 79.428 -31.625 1.00 61.86 ? 158 VAL C N 1 ATOM 4073 C CA . VAL C 3 157 ? -8.485 78.414 -31.263 1.00 56.96 ? 158 VAL C CA 1 ATOM 4074 C C . VAL C 3 157 ? -7.751 77.092 -30.989 1.00 54.07 ? 158 VAL C C 1 ATOM 4075 O O . VAL C 3 157 ? -6.839 76.705 -31.721 1.00 55.63 ? 158 VAL C O 1 ATOM 4076 C CB . VAL C 3 157 ? -9.576 78.257 -32.360 1.00 58.59 ? 158 VAL C CB 1 ATOM 4077 C CG1 . VAL C 3 157 ? -10.593 77.175 -31.993 1.00 54.04 ? 158 VAL C CG1 1 ATOM 4078 C CG2 . VAL C 3 157 ? -10.289 79.581 -32.597 1.00 60.49 ? 158 VAL C CG2 1 ATOM 4079 N N . TYR C 3 158 ? -8.142 76.432 -29.906 1.00 49.83 ? 159 TYR C N 1 ATOM 4080 C CA . TYR C 3 158 ? -7.527 75.187 -29.464 1.00 47.32 ? 159 TYR C CA 1 ATOM 4081 C C . TYR C 3 158 ? -8.524 74.043 -29.559 1.00 45.20 ? 159 TYR C C 1 ATOM 4082 O O . TYR C 3 158 ? -9.660 74.148 -29.097 1.00 44.00 ? 159 TYR C O 1 ATOM 4083 C CB . TYR C 3 158 ? -6.981 75.341 -28.038 1.00 45.03 ? 159 TYR C CB 1 ATOM 4084 C CG . TYR C 3 158 ? -6.013 76.508 -27.941 1.00 47.92 ? 159 TYR C CG 1 ATOM 4085 C CD1 . TYR C 3 158 ? -4.725 76.417 -28.466 1.00 47.96 ? 159 TYR C CD1 1 ATOM 4086 C CD2 . TYR C 3 158 ? -6.403 77.717 -27.377 1.00 48.49 ? 159 TYR C CD2 1 ATOM 4087 C CE1 . TYR C 3 158 ? -3.852 77.480 -28.404 1.00 50.49 ? 159 TYR C CE1 1 ATOM 4088 C CE2 . TYR C 3 158 ? -5.527 78.789 -27.308 1.00 50.43 ? 159 TYR C CE2 1 ATOM 4089 C CZ . TYR C 3 158 ? -4.254 78.662 -27.821 1.00 51.32 ? 159 TYR C CZ 1 ATOM 4090 O OH . TYR C 3 158 ? -3.387 79.726 -27.767 1.00 54.51 ? 159 TYR C OH 1 ATOM 4091 N N . ILE C 3 159 ? -8.101 72.964 -30.205 1.00 45.48 ? 160 ILE C N 1 ATOM 4092 C CA . ILE C 3 159 ? -8.916 71.770 -30.313 1.00 43.94 ? 160 ILE C CA 1 ATOM 4093 C C . ILE C 3 159 ? -8.023 70.621 -29.918 1.00 43.22 ? 160 ILE C C 1 ATOM 4094 O O . ILE C 3 159 ? -6.923 70.488 -30.443 1.00 45.17 ? 160 ILE C O 1 ATOM 4095 C CB . ILE C 3 159 ? -9.437 71.537 -31.750 1.00 46.13 ? 160 ILE C CB 1 ATOM 4096 C CG1 . ILE C 3 159 ? -10.234 72.758 -32.246 1.00 47.69 ? 160 ILE C CG1 1 ATOM 4097 C CG2 . ILE C 3 159 ? -10.266 70.266 -31.789 1.00 44.48 ? 160 ILE C CG2 1 ATOM 4098 C CD1 . ILE C 3 159 ? -10.867 72.594 -33.602 1.00 49.92 ? 160 ILE C CD1 1 ATOM 4099 N N . THR C 3 160 ? -8.484 69.806 -28.983 1.00 41.25 ? 161 THR C N 1 ATOM 4100 C CA . THR C 3 160 ? -7.724 68.638 -28.600 1.00 42.10 ? 161 THR C CA 1 ATOM 4101 C C . THR C 3 160 ? -7.986 67.500 -29.574 1.00 43.19 ? 161 THR C C 1 ATOM 4102 O O . THR C 3 160 ? -8.975 67.523 -30.316 1.00 43.63 ? 161 THR C O 1 ATOM 4103 C CB . THR C 3 160 ? -8.118 68.127 -27.220 1.00 39.62 ? 161 THR C CB 1 ATOM 4104 O OG1 . THR C 3 160 ? -9.420 67.543 -27.310 1.00 39.45 ? 161 THR C OG1 1 ATOM 4105 C CG2 . THR C 3 160 ? -8.098 69.248 -26.211 1.00 39.13 ? 161 THR C CG2 1 ATOM 4106 N N . ASP C 3 161 ? -7.096 66.509 -29.556 1.00 43.83 ? 162 ASP C N 1 ATOM 4107 C CA . ASP C 3 161 ? -7.348 65.255 -30.231 1.00 45.27 ? 162 ASP C CA 1 ATOM 4108 C C . ASP C 3 161 ? -8.482 64.541 -29.495 1.00 42.58 ? 162 ASP C C 1 ATOM 4109 O O . ASP C 3 161 ? -8.789 64.856 -28.335 1.00 40.72 ? 162 ASP C O 1 ATOM 4110 C CB . ASP C 3 161 ? -6.083 64.398 -30.248 1.00 47.44 ? 162 ASP C CB 1 ATOM 4111 C CG . ASP C 3 161 ? -6.069 63.383 -31.392 1.00 52.54 ? 162 ASP C CG 1 ATOM 4112 O OD1 . ASP C 3 161 ? -7.008 63.362 -32.240 1.00 56.05 ? 162 ASP C OD1 1 ATOM 4113 O OD2 . ASP C 3 161 ? -5.096 62.600 -31.443 1.00 57.32 ? 162 ASP C OD2 1 ATOM 4114 N N . LYS C 3 162 ? -9.129 63.608 -30.177 1.00 43.10 ? 163 LYS C N 1 ATOM 4115 C CA . LYS C 3 162 ? -10.215 62.856 -29.572 1.00 41.72 ? 163 LYS C CA 1 ATOM 4116 C C . LYS C 3 162 ? -9.650 61.927 -28.509 1.00 40.51 ? 163 LYS C C 1 ATOM 4117 O O . LYS C 3 162 ? -8.493 61.516 -28.593 1.00 41.61 ? 163 LYS C O 1 ATOM 4118 C CB . LYS C 3 162 ? -11.002 62.060 -30.632 1.00 43.81 ? 163 LYS C CB 1 ATOM 4119 C CG . LYS C 3 162 ? -10.176 61.126 -31.498 1.00 47.16 ? 163 LYS C CG 1 ATOM 4120 C CD . LYS C 3 162 ? -11.074 60.312 -32.434 1.00 51.02 ? 163 LYS C CD 1 ATOM 4121 C CE . LYS C 3 162 ? -10.294 59.823 -33.633 1.00 55.36 ? 163 LYS C CE 1 ATOM 4122 N NZ . LYS C 3 162 ? -11.095 58.907 -34.512 1.00 61.18 ? 163 LYS C NZ 1 ATOM 4123 N N A CYS C 3 163 ? -10.492 61.600 -27.537 0.50 38.54 ? 164 CYS C N 1 ATOM 4124 N N B CYS C 3 163 ? -10.428 61.635 -27.470 0.50 38.61 ? 164 CYS C N 1 ATOM 4125 C CA A CYS C 3 163 ? -10.140 60.708 -26.453 0.50 37.71 ? 164 CYS C CA 1 ATOM 4126 C CA B CYS C 3 163 ? -10.041 60.575 -26.527 0.50 38.08 ? 164 CYS C CA 1 ATOM 4127 C C A CYS C 3 163 ? -11.342 59.784 -26.322 0.50 37.09 ? 164 CYS C C 1 ATOM 4128 C C B CYS C 3 163 ? -11.246 59.843 -25.982 0.50 36.95 ? 164 CYS C C 1 ATOM 4129 O O A CYS C 3 163 ? -12.464 60.217 -26.589 0.50 36.73 ? 164 CYS C O 1 ATOM 4130 O O B CYS C 3 163 ? -12.249 60.454 -25.600 0.50 35.87 ? 164 CYS C O 1 ATOM 4131 C CB A CYS C 3 163 ? -9.968 61.531 -25.168 0.50 36.54 ? 164 CYS C CB 1 ATOM 4132 C CB B CYS C 3 163 ? -9.138 61.067 -25.380 0.50 37.80 ? 164 CYS C CB 1 ATOM 4133 S SG A CYS C 3 163 ? -8.605 61.040 -24.064 0.50 37.32 ? 164 CYS C SG 1 ATOM 4134 S SG B CYS C 3 163 ? -9.895 61.982 -23.978 0.50 36.93 ? 164 CYS C SG 1 ATOM 4135 N N . VAL C 3 164 ? -11.129 58.525 -25.943 1.00 37.13 ? 165 VAL C N 1 ATOM 4136 C CA . VAL C 3 164 ? -12.242 57.671 -25.546 1.00 36.38 ? 165 VAL C CA 1 ATOM 4137 C C . VAL C 3 164 ? -12.237 57.391 -24.034 1.00 35.61 ? 165 VAL C C 1 ATOM 4138 O O . VAL C 3 164 ? -11.235 56.970 -23.471 1.00 35.25 ? 165 VAL C O 1 ATOM 4139 C CB . VAL C 3 164 ? -12.341 56.377 -26.401 1.00 38.23 ? 165 VAL C CB 1 ATOM 4140 C CG1 . VAL C 3 164 ? -11.013 55.578 -26.392 1.00 40.74 ? 165 VAL C CG1 1 ATOM 4141 C CG2 . VAL C 3 164 ? -13.511 55.526 -25.939 1.00 37.06 ? 165 VAL C CG2 1 ATOM 4142 N N . LEU C 3 165 ? -13.357 57.664 -23.379 1.00 34.79 ? 166 LEU C N 1 ATOM 4143 C CA . LEU C 3 165 ? -13.501 57.322 -21.966 1.00 34.83 ? 166 LEU C CA 1 ATOM 4144 C C . LEU C 3 165 ? -14.424 56.108 -21.803 1.00 36.32 ? 166 LEU C C 1 ATOM 4145 O O . LEU C 3 165 ? -15.281 55.816 -22.657 1.00 37.09 ? 166 LEU C O 1 ATOM 4146 C CB . LEU C 3 165 ? -14.029 58.511 -21.156 1.00 33.53 ? 166 LEU C CB 1 ATOM 4147 C CG . LEU C 3 165 ? -15.414 59.056 -21.562 1.00 33.74 ? 166 LEU C CG 1 ATOM 4148 C CD1 . LEU C 3 165 ? -16.589 58.276 -20.955 1.00 34.56 ? 166 LEU C CD1 1 ATOM 4149 C CD2 . LEU C 3 165 ? -15.515 60.528 -21.176 1.00 33.51 ? 166 LEU C CD2 1 ATOM 4150 N N . ASP C 3 166 ? -14.254 55.421 -20.682 1.00 37.33 ? 167 ASP C N 1 ATOM 4151 C CA . ASP C 3 166 ? -14.926 54.170 -20.439 1.00 38.65 ? 167 ASP C CA 1 ATOM 4152 C C . ASP C 3 166 ? -15.602 54.231 -19.079 1.00 39.77 ? 167 ASP C C 1 ATOM 4153 O O . ASP C 3 166 ? -14.948 54.173 -18.036 1.00 39.19 ? 167 ASP C O 1 ATOM 4154 C CB . ASP C 3 166 ? -13.906 53.026 -20.502 1.00 40.17 ? 167 ASP C CB 1 ATOM 4155 C CG . ASP C 3 166 ? -14.541 51.660 -20.378 1.00 41.68 ? 167 ASP C CG 1 ATOM 4156 O OD1 . ASP C 3 166 ? -15.765 51.574 -20.181 1.00 41.75 ? 167 ASP C OD1 1 ATOM 4157 O OD2 . ASP C 3 166 ? -13.803 50.660 -20.477 1.00 44.94 ? 167 ASP C OD2 1 ATOM 4158 N N . MET C 3 167 ? -16.927 54.357 -19.111 1.00 40.78 ? 168 MET C N 1 ATOM 4159 C CA . MET C 3 167 ? -17.732 54.305 -17.906 1.00 42.93 ? 168 MET C CA 1 ATOM 4160 C C . MET C 3 167 ? -17.919 52.834 -17.612 1.00 46.49 ? 168 MET C C 1 ATOM 4161 O O . MET C 3 167 ? -18.859 52.201 -18.104 1.00 48.71 ? 168 MET C O 1 ATOM 4162 C CB . MET C 3 167 ? -19.054 55.035 -18.111 1.00 42.11 ? 168 MET C CB 1 ATOM 4163 C CG . MET C 3 167 ? -18.851 56.440 -18.649 1.00 38.87 ? 168 MET C CG 1 ATOM 4164 S SD . MET C 3 167 ? -20.334 57.441 -18.783 1.00 38.54 ? 168 MET C SD 1 ATOM 4165 C CE . MET C 3 167 ? -20.845 57.557 -17.053 1.00 37.29 ? 168 MET C CE 1 ATOM 4166 N N . ARG C 3 168 ? -16.990 52.294 -16.835 1.00 48.36 ? 169 ARG C N 1 ATOM 4167 C CA . ARG C 3 168 ? -16.856 50.860 -16.675 1.00 52.80 ? 169 ARG C CA 1 ATOM 4168 C C . ARG C 3 168 ? -18.109 50.149 -16.171 1.00 55.71 ? 169 ARG C C 1 ATOM 4169 O O . ARG C 3 168 ? -18.484 49.123 -16.723 1.00 57.34 ? 169 ARG C O 1 ATOM 4170 C CB . ARG C 3 168 ? -15.643 50.534 -15.800 1.00 54.72 ? 169 ARG C CB 1 ATOM 4171 C CG . ARG C 3 168 ? -14.419 50.271 -16.620 1.00 57.17 ? 169 ARG C CG 1 ATOM 4172 C CD . ARG C 3 168 ? -13.130 50.625 -15.926 1.00 63.85 ? 169 ARG C CD 1 ATOM 4173 N NE . ARG C 3 168 ? -12.073 50.653 -16.935 1.00 69.04 ? 169 ARG C NE 1 ATOM 4174 C CZ . ARG C 3 168 ? -10.907 51.285 -16.818 1.00 71.90 ? 169 ARG C CZ 1 ATOM 4175 N NH1 . ARG C 3 168 ? -10.593 51.963 -15.708 1.00 72.82 ? 169 ARG C NH1 1 ATOM 4176 N NH2 . ARG C 3 168 ? -10.045 51.227 -17.828 1.00 72.65 ? 169 ARG C NH2 1 ATOM 4177 N N . SER C 3 169 ? -18.752 50.718 -15.149 1.00 57.24 ? 170 SER C N 1 ATOM 4178 C CA . SER C 3 169 ? -19.913 50.106 -14.485 1.00 61.52 ? 170 SER C CA 1 ATOM 4179 C C . SER C 3 169 ? -21.151 50.100 -15.378 1.00 61.92 ? 170 SER C C 1 ATOM 4180 O O . SER C 3 169 ? -22.039 49.263 -15.208 1.00 64.81 ? 170 SER C O 1 ATOM 4181 C CB . SER C 3 169 ? -20.228 50.816 -13.161 1.00 62.85 ? 170 SER C CB 1 ATOM 4182 O OG . SER C 3 169 ? -20.779 52.106 -13.389 1.00 60.75 ? 170 SER C OG 1 ATOM 4183 N N . MET C 3 170 ? -21.193 51.043 -16.316 1.00 59.36 ? 171 MET C N 1 ATOM 4184 C CA . MET C 3 170 ? -22.292 51.142 -17.279 1.00 60.71 ? 171 MET C CA 1 ATOM 4185 C C . MET C 3 170 ? -21.988 50.406 -18.591 1.00 59.55 ? 171 MET C C 1 ATOM 4186 O O . MET C 3 170 ? -22.819 50.407 -19.495 1.00 60.17 ? 171 MET C O 1 ATOM 4187 C CB . MET C 3 170 ? -22.640 52.616 -17.578 1.00 59.02 ? 171 MET C CB 1 ATOM 4188 C CG . MET C 3 170 ? -23.031 53.468 -16.350 1.00 63.11 ? 171 MET C CG 1 ATOM 4189 S SD . MET C 3 170 ? -23.816 55.067 -16.767 1.00 67.76 ? 171 MET C SD 1 ATOM 4190 C CE . MET C 3 170 ? -25.530 54.522 -16.944 1.00 70.78 ? 171 MET C CE 1 ATOM 4191 N N . ASP C 3 171 ? -20.809 49.782 -18.681 1.00 58.63 ? 172 ASP C N 1 ATOM 4192 C CA . ASP C 3 171 ? -20.315 49.153 -19.924 1.00 58.12 ? 172 ASP C CA 1 ATOM 4193 C C . ASP C 3 171 ? -20.545 50.072 -21.136 1.00 55.06 ? 172 ASP C C 1 ATOM 4194 O O . ASP C 3 171 ? -21.229 49.713 -22.102 1.00 56.42 ? 172 ASP C O 1 ATOM 4195 C CB . ASP C 3 171 ? -20.951 47.765 -20.139 1.00 62.17 ? 172 ASP C CB 1 ATOM 4196 C CG . ASP C 3 171 ? -20.299 46.982 -21.284 1.00 64.29 ? 172 ASP C CG 1 ATOM 4197 O OD1 . ASP C 3 171 ? -19.068 47.126 -21.493 1.00 64.01 ? 172 ASP C OD1 1 ATOM 4198 O OD2 . ASP C 3 171 ? -21.025 46.218 -21.968 1.00 66.67 ? 172 ASP C OD2 1 ATOM 4199 N N . PHE C 3 172 ? -19.969 51.267 -21.062 1.00 50.88 ? 173 PHE C N 1 ATOM 4200 C CA . PHE C 3 172 ? -20.266 52.329 -21.999 1.00 47.96 ? 173 PHE C CA 1 ATOM 4201 C C . PHE C 3 172 ? -19.001 53.128 -22.309 1.00 44.91 ? 173 PHE C C 1 ATOM 4202 O O . PHE C 3 172 ? -18.265 53.522 -21.403 1.00 43.72 ? 173 PHE C O 1 ATOM 4203 C CB . PHE C 3 172 ? -21.371 53.221 -21.423 1.00 48.15 ? 173 PHE C CB 1 ATOM 4204 C CG . PHE C 3 172 ? -21.572 54.516 -22.168 1.00 46.65 ? 173 PHE C CG 1 ATOM 4205 C CD1 . PHE C 3 172 ? -22.566 54.625 -23.150 1.00 48.08 ? 173 PHE C CD1 1 ATOM 4206 C CD2 . PHE C 3 172 ? -20.775 55.630 -21.884 1.00 42.76 ? 173 PHE C CD2 1 ATOM 4207 C CE1 . PHE C 3 172 ? -22.754 55.824 -23.846 1.00 47.18 ? 173 PHE C CE1 1 ATOM 4208 C CE2 . PHE C 3 172 ? -20.948 56.834 -22.572 1.00 41.83 ? 173 PHE C CE2 1 ATOM 4209 C CZ . PHE C 3 172 ? -21.937 56.934 -23.559 1.00 44.64 ? 173 PHE C CZ 1 ATOM 4210 N N . LYS C 3 173 ? -18.766 53.357 -23.598 1.00 43.71 ? 174 LYS C N 1 ATOM 4211 C CA . LYS C 3 173 ? -17.614 54.109 -24.077 1.00 41.63 ? 174 LYS C CA 1 ATOM 4212 C C . LYS C 3 173 ? -18.058 55.278 -24.954 1.00 41.05 ? 174 LYS C C 1 ATOM 4213 O O . LYS C 3 173 ? -19.051 55.188 -25.668 1.00 41.54 ? 174 LYS C O 1 ATOM 4214 C CB . LYS C 3 173 ? -16.650 53.204 -24.849 1.00 42.38 ? 174 LYS C CB 1 ATOM 4215 C CG . LYS C 3 173 ? -16.104 52.061 -24.006 1.00 43.22 ? 174 LYS C CG 1 ATOM 4216 C CD . LYS C 3 173 ? -14.918 51.381 -24.671 1.00 46.33 ? 174 LYS C CD 1 ATOM 4217 C CE . LYS C 3 173 ? -14.395 50.201 -23.837 1.00 46.94 ? 174 LYS C CE 1 ATOM 4218 N NZ . LYS C 3 173 ? -15.367 49.069 -23.847 1.00 49.28 ? 174 LYS C NZ 1 ATOM 4219 N N . SER C 3 174 ? -17.322 56.384 -24.880 1.00 39.70 ? 175 SER C N 1 ATOM 4220 C CA . SER C 3 174 ? -17.607 57.527 -25.721 1.00 39.13 ? 175 SER C CA 1 ATOM 4221 C C . SER C 3 174 ? -16.360 58.335 -26.084 1.00 38.37 ? 175 SER C C 1 ATOM 4222 O O . SER C 3 174 ? -15.465 58.543 -25.269 1.00 37.47 ? 175 SER C O 1 ATOM 4223 C CB . SER C 3 174 ? -18.674 58.406 -25.082 1.00 38.82 ? 175 SER C CB 1 ATOM 4224 O OG . SER C 3 174 ? -18.271 58.888 -23.814 1.00 38.01 ? 175 SER C OG 1 ATOM 4225 N N . ASN C 3 175 ? -16.318 58.762 -27.341 1.00 39.71 ? 176 ASN C N 1 ATOM 4226 C CA . ASN C 3 175 ? -15.291 59.651 -27.852 1.00 39.05 ? 176 ASN C CA 1 ATOM 4227 C C . ASN C 3 175 ? -15.650 61.089 -27.490 1.00 38.05 ? 176 ASN C C 1 ATOM 4228 O O . ASN C 3 175 ? -16.827 61.431 -27.397 1.00 38.35 ? 176 ASN C O 1 ATOM 4229 C CB . ASN C 3 175 ? -15.218 59.526 -29.376 1.00 40.45 ? 176 ASN C CB 1 ATOM 4230 C CG . ASN C 3 175 ? -14.514 58.257 -29.835 1.00 42.49 ? 176 ASN C CG 1 ATOM 4231 O OD1 . ASN C 3 175 ? -13.533 57.836 -29.228 1.00 44.16 ? 176 ASN C OD1 1 ATOM 4232 N ND2 . ASN C 3 175 ? -15.005 57.649 -30.920 1.00 42.71 ? 176 ASN C ND2 1 ATOM 4233 N N . SER C 3 176 ? -14.644 61.936 -27.313 1.00 36.86 ? 177 SER C N 1 ATOM 4234 C CA . SER C 3 176 ? -14.903 63.371 -27.243 1.00 36.57 ? 177 SER C CA 1 ATOM 4235 C C . SER C 3 176 ? -13.665 64.156 -27.642 1.00 36.52 ? 177 SER C C 1 ATOM 4236 O O . SER C 3 176 ? -12.544 63.632 -27.600 1.00 36.94 ? 177 SER C O 1 ATOM 4237 C CB . SER C 3 176 ? -15.322 63.768 -25.833 1.00 35.61 ? 177 SER C CB 1 ATOM 4238 O OG . SER C 3 176 ? -14.258 63.514 -24.939 1.00 35.60 ? 177 SER C OG 1 ATOM 4239 N N . ALA C 3 177 ? -13.875 65.406 -28.036 1.00 36.38 ? 178 ALA C N 1 ATOM 4240 C CA . ALA C 3 177 ? -12.788 66.343 -28.278 1.00 36.14 ? 178 ALA C CA 1 ATOM 4241 C C . ALA C 3 177 ? -13.253 67.667 -27.706 1.00 35.42 ? 178 ALA C C 1 ATOM 4242 O O . ALA C 3 177 ? -14.453 67.897 -27.574 1.00 35.76 ? 178 ALA C O 1 ATOM 4243 C CB . ALA C 3 177 ? -12.493 66.462 -29.776 1.00 38.44 ? 178 ALA C CB 1 ATOM 4244 N N . VAL C 3 178 ? -12.311 68.530 -27.349 1.00 34.68 ? 179 VAL C N 1 ATOM 4245 C CA . VAL C 3 178 ? -12.638 69.768 -26.653 1.00 33.90 ? 179 VAL C CA 1 ATOM 4246 C C . VAL C 3 178 ? -12.042 70.917 -27.459 1.00 35.93 ? 179 VAL C C 1 ATOM 4247 O O . VAL C 3 178 ? -10.929 70.810 -27.977 1.00 36.69 ? 179 VAL C O 1 ATOM 4248 C CB . VAL C 3 178 ? -12.060 69.773 -25.196 1.00 33.06 ? 179 VAL C CB 1 ATOM 4249 C CG1 . VAL C 3 178 ? -12.373 71.085 -24.454 1.00 32.70 ? 179 VAL C CG1 1 ATOM 4250 C CG2 . VAL C 3 178 ? -12.534 68.538 -24.384 1.00 29.74 ? 179 VAL C CG2 1 ATOM 4251 N N . ALA C 3 179 ? -12.793 72.001 -27.586 1.00 36.61 ? 180 ALA C N 1 ATOM 4252 C CA . ALA C 3 179 ? -12.282 73.203 -28.209 1.00 39.11 ? 180 ALA C CA 1 ATOM 4253 C C . ALA C 3 179 ? -12.586 74.403 -27.319 1.00 39.84 ? 180 ALA C C 1 ATOM 4254 O O . ALA C 3 179 ? -13.600 74.417 -26.618 1.00 39.41 ? 180 ALA C O 1 ATOM 4255 C CB . ALA C 3 179 ? -12.879 73.383 -29.604 1.00 41.22 ? 180 ALA C CB 1 ATOM 4256 N N . TRP C 3 180 ? -11.678 75.377 -27.317 1.00 41.44 ? 181 TRP C N 1 ATOM 4257 C CA . TRP C 3 180 ? -11.846 76.631 -26.594 1.00 42.95 ? 181 TRP C CA 1 ATOM 4258 C C . TRP C 3 180 ? -11.004 77.693 -27.275 1.00 46.78 ? 181 TRP C C 1 ATOM 4259 O O . TRP C 3 180 ? -10.149 77.379 -28.097 1.00 47.70 ? 181 TRP C O 1 ATOM 4260 C CB . TRP C 3 180 ? -11.465 76.491 -25.107 1.00 40.70 ? 181 TRP C CB 1 ATOM 4261 C CG . TRP C 3 180 ? -10.004 76.239 -24.875 1.00 39.16 ? 181 TRP C CG 1 ATOM 4262 C CD1 . TRP C 3 180 ? -9.025 77.171 -24.585 1.00 39.41 ? 181 TRP C CD1 1 ATOM 4263 C CD2 . TRP C 3 180 ? -9.348 74.971 -24.923 1.00 36.24 ? 181 TRP C CD2 1 ATOM 4264 N NE1 . TRP C 3 180 ? -7.803 76.547 -24.457 1.00 37.83 ? 181 TRP C NE1 1 ATOM 4265 C CE2 . TRP C 3 180 ? -7.975 75.198 -24.653 1.00 37.36 ? 181 TRP C CE2 1 ATOM 4266 C CE3 . TRP C 3 180 ? -9.783 73.661 -25.178 1.00 35.43 ? 181 TRP C CE3 1 ATOM 4267 C CZ2 . TRP C 3 180 ? -7.039 74.159 -24.636 1.00 35.90 ? 181 TRP C CZ2 1 ATOM 4268 C CZ3 . TRP C 3 180 ? -8.859 72.634 -25.153 1.00 33.13 ? 181 TRP C CZ3 1 ATOM 4269 C CH2 . TRP C 3 180 ? -7.503 72.889 -24.883 1.00 34.28 ? 181 TRP C CH2 1 ATOM 4270 N N . SER C 3 181 ? -11.253 78.952 -26.944 1.00 50.36 ? 182 SER C N 1 ATOM 4271 C CA . SER C 3 181 ? -10.536 80.065 -27.554 1.00 55.22 ? 182 SER C CA 1 ATOM 4272 C C . SER C 3 181 ? -10.831 81.324 -26.755 1.00 58.34 ? 182 SER C C 1 ATOM 4273 O O . SER C 3 181 ? -11.973 81.531 -26.326 1.00 58.59 ? 182 SER C O 1 ATOM 4274 C CB . SER C 3 181 ? -10.980 80.253 -29.009 1.00 57.53 ? 182 SER C CB 1 ATOM 4275 O OG . SER C 3 181 ? -10.343 81.367 -29.622 1.00 61.34 ? 182 SER C OG 1 ATOM 4276 N N . ASN C 3 182 ? -9.815 82.164 -26.555 1.00 61.72 ? 183 ASN C N 1 ATOM 4277 C CA . ASN C 3 182 ? -10.010 83.425 -25.824 1.00 65.22 ? 183 ASN C CA 1 ATOM 4278 C C . ASN C 3 182 ? -10.667 84.502 -26.692 1.00 69.67 ? 183 ASN C C 1 ATOM 4279 O O . ASN C 3 182 ? -11.107 85.520 -26.169 1.00 72.76 ? 183 ASN C O 1 ATOM 4280 C CB . ASN C 3 182 ? -8.696 83.933 -25.210 1.00 66.33 ? 183 ASN C CB 1 ATOM 4281 N N . LYS C 3 183 ? -10.749 84.262 -28.005 1.00 71.24 ? 184 LYS C N 1 ATOM 4282 C CA . LYS C 3 183 ? -11.251 85.255 -28.974 1.00 75.96 ? 184 LYS C CA 1 ATOM 4283 C C . LYS C 3 183 ? -12.735 85.557 -28.790 1.00 77.09 ? 184 LYS C C 1 ATOM 4284 O O . LYS C 3 183 ? -13.522 84.667 -28.462 1.00 74.62 ? 184 LYS C O 1 ATOM 4285 C CB . LYS C 3 183 ? -10.990 84.795 -30.417 1.00 77.17 ? 184 LYS C CB 1 ATOM 4286 N N . ASP C 3 185 ? -16.761 86.278 -30.017 1.00 82.08 ? 186 ASP C N 1 ATOM 4287 C CA . ASP C 3 185 ? -16.158 86.129 -31.335 1.00 83.78 ? 186 ASP C CA 1 ATOM 4288 C C . ASP C 3 185 ? -16.045 84.649 -31.742 1.00 80.03 ? 186 ASP C C 1 ATOM 4289 O O . ASP C 3 185 ? -15.976 84.323 -32.939 1.00 81.94 ? 186 ASP C O 1 ATOM 4290 C CB . ASP C 3 185 ? -14.785 86.810 -31.362 1.00 85.23 ? 186 ASP C CB 1 ATOM 4291 N N . PHE C 3 186 ? -16.026 83.771 -30.732 1.00 74.88 ? 187 PHE C N 1 ATOM 4292 C CA . PHE C 3 186 ? -15.949 82.312 -30.901 1.00 70.56 ? 187 PHE C CA 1 ATOM 4293 C C . PHE C 3 186 ? -17.112 81.602 -30.180 1.00 68.00 ? 187 PHE C C 1 ATOM 4294 O O . PHE C 3 186 ? -17.387 81.871 -29.004 1.00 67.04 ? 187 PHE C O 1 ATOM 4295 C CB . PHE C 3 186 ? -14.586 81.801 -30.394 1.00 67.30 ? 187 PHE C CB 1 ATOM 4296 C CG . PHE C 3 186 ? -14.539 80.324 -30.095 1.00 61.70 ? 187 PHE C CG 1 ATOM 4297 C CD1 . PHE C 3 186 ? -14.129 79.416 -31.064 1.00 60.21 ? 187 PHE C CD1 1 ATOM 4298 C CD2 . PHE C 3 186 ? -14.857 79.841 -28.822 1.00 57.74 ? 187 PHE C CD2 1 ATOM 4299 C CE1 . PHE C 3 186 ? -14.060 78.045 -30.780 1.00 55.24 ? 187 PHE C CE1 1 ATOM 4300 C CE2 . PHE C 3 186 ? -14.795 78.476 -28.533 1.00 53.19 ? 187 PHE C CE2 1 ATOM 4301 C CZ . PHE C 3 186 ? -14.390 77.579 -29.515 1.00 52.35 ? 187 PHE C CZ 1 ATOM 4302 N N . ALA C 3 187 ? -17.777 80.698 -30.896 1.00 67.12 ? 188 ALA C N 1 ATOM 4303 C CA . ALA C 3 187 ? -18.922 79.963 -30.369 1.00 65.34 ? 188 ALA C CA 1 ATOM 4304 C C . ALA C 3 187 ? -18.868 78.500 -30.785 1.00 62.59 ? 188 ALA C C 1 ATOM 4305 O O . ALA C 3 187 ? -18.228 78.147 -31.781 1.00 62.46 ? 188 ALA C O 1 ATOM 4306 C CB . ALA C 3 187 ? -20.228 80.595 -30.839 1.00 69.52 ? 188 ALA C CB 1 ATOM 4307 N N . CYS C 3 188 ? -19.563 77.660 -30.023 1.00 60.43 ? 189 CYS C N 1 ATOM 4308 C CA . CYS C 3 188 ? -19.538 76.222 -30.241 1.00 58.55 ? 189 CYS C CA 1 ATOM 4309 C C . CYS C 3 188 ? -20.071 75.795 -31.617 1.00 61.17 ? 189 CYS C C 1 ATOM 4310 O O . CYS C 3 188 ? -19.593 74.813 -32.185 1.00 60.32 ? 189 CYS C O 1 ATOM 4311 C CB . CYS C 3 188 ? -20.266 75.497 -29.109 1.00 56.49 ? 189 CYS C CB 1 ATOM 4312 S SG . CYS C 3 188 ? -19.479 75.675 -27.472 1.00 54.21 ? 189 CYS C SG 1 ATOM 4313 N N . ALA C 3 189 ? -21.043 76.537 -32.143 1.00 64.73 ? 190 ALA C N 1 ATOM 4314 C CA . ALA C 3 189 ? -21.582 76.303 -33.485 1.00 68.34 ? 190 ALA C CA 1 ATOM 4315 C C . ALA C 3 189 ? -20.495 76.153 -34.543 1.00 69.12 ? 190 ALA C C 1 ATOM 4316 O O . ALA C 3 189 ? -20.599 75.297 -35.431 1.00 70.11 ? 190 ALA C O 1 ATOM 4317 C CB . ALA C 3 189 ? -22.554 77.441 -33.894 1.00 72.87 ? 190 ALA C CB 1 ATOM 4318 N N . ASN C 3 190 ? -19.470 77.001 -34.459 1.00 69.20 ? 191 ASN C N 1 ATOM 4319 C CA . ASN C 3 190 ? -18.427 77.035 -35.478 1.00 70.93 ? 191 ASN C CA 1 ATOM 4320 C C . ASN C 3 190 ? -17.105 76.405 -35.035 1.00 67.15 ? 191 ASN C C 1 ATOM 4321 O O . ASN C 3 190 ? -16.158 76.311 -35.825 1.00 68.55 ? 191 ASN C O 1 ATOM 4322 C CB . ASN C 3 190 ? -18.229 78.459 -36.046 1.00 75.52 ? 191 ASN C CB 1 ATOM 4323 C CG . ASN C 3 190 ? -17.728 79.457 -35.003 1.00 75.36 ? 191 ASN C CG 1 ATOM 4324 O OD1 . ASN C 3 190 ? -16.809 79.171 -34.225 1.00 72.37 ? 191 ASN C OD1 1 ATOM 4325 N ND2 . ASN C 3 190 ? -18.321 80.653 -35.002 1.00 78.93 ? 191 ASN C ND2 1 ATOM 4326 N N . ALA C 3 191 ? -17.055 75.967 -33.779 1.00 62.61 ? 192 ALA C N 1 ATOM 4327 C CA . ALA C 3 191 ? -15.826 75.457 -33.190 1.00 59.38 ? 192 ALA C CA 1 ATOM 4328 C C . ALA C 3 191 ? -15.215 74.316 -33.986 1.00 58.99 ? 192 ALA C C 1 ATOM 4329 O O . ALA C 3 191 ? -14.001 74.272 -34.155 1.00 59.37 ? 192 ALA C O 1 ATOM 4330 C CB . ALA C 3 191 ? -16.049 75.036 -31.723 1.00 55.29 ? 192 ALA C CB 1 ATOM 4331 N N . PHE C 3 192 ? -16.046 73.401 -34.479 1.00 59.17 ? 193 PHE C N 1 ATOM 4332 C CA . PHE C 3 192 ? -15.537 72.219 -35.183 1.00 59.33 ? 193 PHE C CA 1 ATOM 4333 C C . PHE C 3 192 ? -15.700 72.271 -36.719 1.00 63.94 ? 193 PHE C C 1 ATOM 4334 O O . PHE C 3 192 ? -15.588 71.250 -37.403 1.00 64.56 ? 193 PHE C O 1 ATOM 4335 C CB . PHE C 3 192 ? -16.128 70.950 -34.569 1.00 56.25 ? 193 PHE C CB 1 ATOM 4336 C CG . PHE C 3 192 ? -15.709 70.728 -33.143 1.00 53.16 ? 193 PHE C CG 1 ATOM 4337 C CD1 . PHE C 3 192 ? -16.485 71.202 -32.091 1.00 52.12 ? 193 PHE C CD1 1 ATOM 4338 C CD2 . PHE C 3 192 ? -14.523 70.062 -32.850 1.00 52.15 ? 193 PHE C CD2 1 ATOM 4339 C CE1 . PHE C 3 192 ? -16.088 71.011 -30.770 1.00 48.71 ? 193 PHE C CE1 1 ATOM 4340 C CE2 . PHE C 3 192 ? -14.119 69.863 -31.530 1.00 48.80 ? 193 PHE C CE2 1 ATOM 4341 C CZ . PHE C 3 192 ? -14.899 70.339 -30.493 1.00 48.28 ? 193 PHE C CZ 1 ATOM 4342 N N . ASN C 3 193 ? -15.918 73.477 -37.242 1.00 67.63 ? 194 ASN C N 1 ATOM 4343 C CA . ASN C 3 193 ? -16.073 73.729 -38.681 1.00 73.21 ? 194 ASN C CA 1 ATOM 4344 C C . ASN C 3 193 ? -14.968 73.186 -39.583 1.00 75.38 ? 194 ASN C C 1 ATOM 4345 O O . ASN C 3 193 ? -15.209 72.885 -40.755 1.00 79.08 ? 194 ASN C O 1 ATOM 4346 C CB . ASN C 3 193 ? -16.239 75.229 -38.932 1.00 76.75 ? 194 ASN C CB 1 ATOM 4347 C CG . ASN C 3 193 ? -17.637 75.719 -38.613 1.00 78.00 ? 194 ASN C CG 1 ATOM 4348 O OD1 . ASN C 3 193 ? -18.435 74.995 -38.008 1.00 75.91 ? 194 ASN C OD1 1 ATOM 4349 N ND2 . ASN C 3 193 ? -17.945 76.953 -39.014 1.00 81.30 ? 194 ASN C ND2 1 ATOM 4350 N N . ASN C 3 194 ? -13.758 73.075 -39.042 1.00 73.59 ? 195 ASN C N 1 ATOM 4351 C CA . ASN C 3 194 ? -12.630 72.546 -39.809 1.00 76.05 ? 195 ASN C CA 1 ATOM 4352 C C . ASN C 3 194 ? -12.626 71.013 -39.879 1.00 74.25 ? 195 ASN C C 1 ATOM 4353 O O . ASN C 3 194 ? -11.894 70.428 -40.672 1.00 76.71 ? 195 ASN C O 1 ATOM 4354 C CB . ASN C 3 194 ? -11.294 73.072 -39.258 1.00 75.19 ? 195 ASN C CB 1 ATOM 4355 C CG . ASN C 3 194 ? -10.257 73.323 -40.358 1.00 80.82 ? 195 ASN C CG 1 ATOM 4356 O OD1 . ASN C 3 194 ? -10.585 73.809 -41.449 1.00 86.06 ? 195 ASN C OD1 1 ATOM 4357 N ND2 . ASN C 3 194 ? -8.996 73.009 -40.064 1.00 80.15 ? 195 ASN C ND2 1 ATOM 4358 N N . SER C 3 195 ? -13.449 70.376 -39.051 1.00 70.57 ? 196 SER C N 1 ATOM 4359 C CA . SER C 3 195 ? -13.564 68.920 -39.034 1.00 69.00 ? 196 SER C CA 1 ATOM 4360 C C . SER C 3 195 ? -14.720 68.444 -39.921 1.00 71.71 ? 196 SER C C 1 ATOM 4361 O O . SER C 3 195 ? -15.683 69.182 -40.137 1.00 73.54 ? 196 SER C O 1 ATOM 4362 C CB . SER C 3 195 ? -13.761 68.427 -37.600 1.00 63.84 ? 196 SER C CB 1 ATOM 4363 O OG . SER C 3 195 ? -12.707 68.867 -36.757 1.00 61.65 ? 196 SER C OG 1 ATOM 4364 N N . ILE C 3 196 ? -14.617 67.224 -40.443 1.00 72.32 ? 197 ILE C N 1 ATOM 4365 C CA . ILE C 3 196 ? -15.761 66.586 -41.093 1.00 74.37 ? 197 ILE C CA 1 ATOM 4366 C C . ILE C 3 196 ? -16.551 65.812 -40.027 1.00 70.27 ? 197 ILE C C 1 ATOM 4367 O O . ILE C 3 196 ? -16.125 64.753 -39.546 1.00 67.84 ? 197 ILE C O 1 ATOM 4368 C CB . ILE C 3 196 ? -15.353 65.701 -42.310 1.00 78.41 ? 197 ILE C CB 1 ATOM 4369 C CG1 . ILE C 3 196 ? -14.718 66.574 -43.408 1.00 83.70 ? 197 ILE C CG1 1 ATOM 4370 C CG2 . ILE C 3 196 ? -16.554 64.912 -42.830 1.00 80.72 ? 197 ILE C CG2 1 ATOM 4371 C CD1 . ILE C 3 196 ? -14.530 65.894 -44.789 1.00 89.94 ? 197 ILE C CD1 1 ATOM 4372 N N . ILE C 3 197 ? -17.695 66.378 -39.649 1.00 69.76 ? 198 ILE C N 1 ATOM 4373 C CA . ILE C 3 197 ? -18.518 65.837 -38.575 1.00 66.46 ? 198 ILE C CA 1 ATOM 4374 C C . ILE C 3 197 ? -19.851 65.325 -39.129 1.00 69.33 ? 198 ILE C C 1 ATOM 4375 O O . ILE C 3 197 ? -20.275 65.765 -40.196 1.00 73.87 ? 198 ILE C O 1 ATOM 4376 C CB . ILE C 3 197 ? -18.722 66.880 -37.419 1.00 63.63 ? 198 ILE C CB 1 ATOM 4377 C CG1 . ILE C 3 197 ? -19.670 68.016 -37.829 1.00 66.72 ? 198 ILE C CG1 1 ATOM 4378 C CG2 . ILE C 3 197 ? -17.397 67.446 -36.982 1.00 61.09 ? 198 ILE C CG2 1 ATOM 4379 C CD1 . ILE C 3 197 ? -20.085 68.903 -36.648 1.00 63.84 ? 198 ILE C CD1 1 ATOM 4380 N N . PRO C 3 198 ? -20.508 64.384 -38.417 1.00 67.61 ? 199 PRO C N 1 ATOM 4381 C CA . PRO C 3 198 ? -21.778 63.834 -38.901 1.00 70.78 ? 199 PRO C CA 1 ATOM 4382 C C . PRO C 3 198 ? -22.835 64.905 -39.152 1.00 73.64 ? 199 PRO C C 1 ATOM 4383 O O . PRO C 3 198 ? -22.880 65.917 -38.441 1.00 72.16 ? 199 PRO C O 1 ATOM 4384 C CB . PRO C 3 198 ? -22.227 62.916 -37.761 1.00 67.48 ? 199 PRO C CB 1 ATOM 4385 C CG . PRO C 3 198 ? -20.949 62.520 -37.071 1.00 64.37 ? 199 PRO C CG 1 ATOM 4386 C CD . PRO C 3 198 ? -20.066 63.730 -37.165 1.00 63.57 ? 199 PRO C CD 1 ATOM 4387 N N . GLU C 3 199 ? -23.662 64.670 -40.164 1.00 78.15 ? 200 GLU C N 1 ATOM 4388 C CA . GLU C 3 199 ? -24.761 65.555 -40.515 1.00 81.99 ? 200 GLU C CA 1 ATOM 4389 C C . GLU C 3 199 ? -25.800 65.632 -39.390 1.00 80.21 ? 200 GLU C C 1 ATOM 4390 O O . GLU C 3 199 ? -26.373 66.695 -39.138 1.00 81.14 ? 200 GLU C O 1 ATOM 4391 C CB . GLU C 3 199 ? -25.410 65.097 -41.835 1.00 87.78 ? 200 GLU C CB 1 ATOM 4392 N N . ASP C 3 200 ? -26.017 64.508 -38.708 1.00 78.12 ? 201 ASP C N 1 ATOM 4393 C CA . ASP C 3 200 ? -26.997 64.414 -37.611 1.00 77.20 ? 201 ASP C CA 1 ATOM 4394 C C . ASP C 3 200 ? -26.556 65.028 -36.252 1.00 72.27 ? 201 ASP C C 1 ATOM 4395 O O . ASP C 3 200 ? -27.253 64.865 -35.240 1.00 71.16 ? 201 ASP C O 1 ATOM 4396 C CB . ASP C 3 200 ? -27.490 62.955 -37.440 1.00 77.77 ? 201 ASP C CB 1 ATOM 4397 C CG . ASP C 3 200 ? -26.338 61.939 -37.263 1.00 76.19 ? 201 ASP C CG 1 ATOM 4398 O OD1 . ASP C 3 200 ? -26.121 61.453 -36.129 1.00 73.75 ? 201 ASP C OD1 1 ATOM 4399 O OD2 . ASP C 3 200 ? -25.655 61.608 -38.259 1.00 79.34 ? 201 ASP C OD2 1 ATOM 4400 N N . THR C 3 201 ? -25.437 65.758 -36.240 1.00 69.70 ? 202 THR C N 1 ATOM 4401 C CA . THR C 3 201 ? -24.872 66.316 -34.996 1.00 65.40 ? 202 THR C CA 1 ATOM 4402 C C . THR C 3 201 ? -25.788 67.321 -34.300 1.00 66.22 ? 202 THR C C 1 ATOM 4403 O O . THR C 3 201 ? -26.289 68.278 -34.918 1.00 69.07 ? 202 THR C O 1 ATOM 4404 C CB . THR C 3 201 ? -23.483 66.961 -35.201 1.00 63.57 ? 202 THR C CB 1 ATOM 4405 O OG1 . THR C 3 201 ? -22.580 65.982 -35.718 1.00 63.79 ? 202 THR C OG1 1 ATOM 4406 C CG2 . THR C 3 201 ? -22.922 67.485 -33.882 1.00 59.53 ? 202 THR C CG2 1 ATOM 4407 N N . PHE C 3 202 ? -25.975 67.083 -33.004 1.00 63.18 ? 203 PHE C N 1 ATOM 4408 C CA . PHE C 3 202 ? -26.841 67.886 -32.170 1.00 64.40 ? 203 PHE C CA 1 ATOM 4409 C C . PHE C 3 202 ? -26.134 69.169 -31.723 1.00 63.25 ? 203 PHE C C 1 ATOM 4410 O O . PHE C 3 202 ? -25.079 69.106 -31.092 1.00 59.89 ? 203 PHE C O 1 ATOM 4411 C CB . PHE C 3 202 ? -27.295 67.044 -30.974 1.00 62.56 ? 203 PHE C CB 1 ATOM 4412 C CG . PHE C 3 202 ? -28.196 67.768 -30.010 1.00 64.01 ? 203 PHE C CG 1 ATOM 4413 C CD1 . PHE C 3 202 ? -29.358 68.406 -30.451 1.00 68.95 ? 203 PHE C CD1 1 ATOM 4414 C CD2 . PHE C 3 202 ? -27.899 67.782 -28.649 1.00 61.20 ? 203 PHE C CD2 1 ATOM 4415 C CE1 . PHE C 3 202 ? -30.197 69.066 -29.551 1.00 70.75 ? 203 PHE C CE1 1 ATOM 4416 C CE2 . PHE C 3 202 ? -28.735 68.439 -27.740 1.00 63.24 ? 203 PHE C CE2 1 ATOM 4417 C CZ . PHE C 3 202 ? -29.883 69.081 -28.189 1.00 67.04 ? 203 PHE C CZ 1 ATOM 4418 N N . PHE C 3 203 ? -26.703 70.318 -32.096 1.00 67.07 ? 204 PHE C N 1 ATOM 4419 C CA . PHE C 3 203 ? -26.242 71.636 -31.633 1.00 67.27 ? 204 PHE C CA 1 ATOM 4420 C C . PHE C 3 203 ? -27.368 72.336 -30.881 1.00 70.08 ? 204 PHE C C 1 ATOM 4421 O O . PHE C 3 203 ? -28.190 73.013 -31.492 1.00 74.29 ? 204 PHE C O 1 ATOM 4422 C CB . PHE C 3 203 ? -25.799 72.514 -32.802 1.00 69.73 ? 204 PHE C CB 1 ATOM 4423 C CG . PHE C 3 203 ? -24.537 72.054 -33.461 1.00 67.34 ? 204 PHE C CG 1 ATOM 4424 C CD1 . PHE C 3 203 ? -24.583 71.166 -34.541 1.00 69.07 ? 204 PHE C CD1 1 ATOM 4425 C CD2 . PHE C 3 203 ? -23.304 72.521 -33.023 1.00 62.58 ? 204 PHE C CD2 1 ATOM 4426 C CE1 . PHE C 3 203 ? -23.408 70.743 -35.163 1.00 67.57 ? 204 PHE C CE1 1 ATOM 4427 C CE2 . PHE C 3 203 ? -22.124 72.109 -33.635 1.00 61.48 ? 204 PHE C CE2 1 ATOM 4428 C CZ . PHE C 3 203 ? -22.170 71.215 -34.704 1.00 63.30 ? 204 PHE C CZ 1 ATOM 4429 N N . PRO C 3 204 ? -27.407 72.169 -29.549 1.00 68.47 ? 205 PRO C N 1 ATOM 4430 C CA . PRO C 3 204 ? -28.532 72.621 -28.728 1.00 71.55 ? 205 PRO C CA 1 ATOM 4431 C C . PRO C 3 204 ? -28.703 74.137 -28.633 1.00 75.08 ? 205 PRO C C 1 ATOM 4432 O O . PRO C 3 204 ? -27.713 74.868 -28.627 1.00 74.00 ? 205 PRO C O 1 ATOM 4433 C CB . PRO C 3 204 ? -28.214 72.045 -27.345 1.00 68.10 ? 205 PRO C CB 1 ATOM 4434 C CG . PRO C 3 204 ? -26.759 71.735 -27.369 1.00 63.98 ? 205 PRO C CG 1 ATOM 4435 C CD . PRO C 3 204 ? -26.435 71.379 -28.773 1.00 63.81 ? 205 PRO C CD 1 ATOM 4436 N N . SER C 3 205 ? -29.960 74.576 -28.559 1.00 80.10 ? 206 SER C N 1 ATOM 4437 C CA . SER C 3 205 ? -30.339 75.966 -28.238 1.00 84.53 ? 206 SER C CA 1 ATOM 4438 C C . SER C 3 205 ? -29.665 77.037 -29.110 1.00 86.12 ? 206 SER C C 1 ATOM 4439 O O . SER C 3 205 ? -28.512 77.420 -28.864 1.00 83.47 ? 206 SER C O 1 ATOM 4440 C CB . SER C 3 205 ? -30.104 76.265 -26.744 1.00 82.83 ? 206 SER C CB 1 ATOM 4441 O OG . SER C 3 205 ? -30.757 77.470 -26.362 1.00 87.61 ? 206 SER C OG 1 ATOM 4442 N N . ALA D 4 3 ? 6.502 40.771 -4.403 1.00 68.08 ? 2 ALA D N 1 ATOM 4443 C CA . ALA D 4 3 ? 7.840 41.430 -4.382 1.00 65.37 ? 2 ALA D CA 1 ATOM 4444 C C . ALA D 4 3 ? 7.823 42.790 -5.114 1.00 63.47 ? 2 ALA D C 1 ATOM 4445 O O . ALA D 4 3 ? 7.885 42.833 -6.348 1.00 61.97 ? 2 ALA D O 1 ATOM 4446 C CB . ALA D 4 3 ? 8.909 40.489 -4.973 1.00 63.37 ? 2 ALA D CB 1 ATOM 4447 N N . ALA D 4 4 ? 7.757 43.885 -4.339 1.00 63.44 ? 3 ALA D N 1 ATOM 4448 C CA . ALA D 4 4 ? 7.558 45.250 -4.865 1.00 61.21 ? 3 ALA D CA 1 ATOM 4449 C C . ALA D 4 4 ? 8.838 46.125 -4.889 1.00 58.14 ? 3 ALA D C 1 ATOM 4450 O O . ALA D 4 4 ? 9.752 45.916 -4.073 1.00 58.84 ? 3 ALA D O 1 ATOM 4451 C CB . ALA D 4 4 ? 6.455 45.945 -4.077 1.00 63.86 ? 3 ALA D CB 1 ATOM 4452 N N . VAL D 4 5 ? 8.887 47.096 -5.816 1.00 54.22 ? 4 VAL D N 1 ATOM 4453 C CA . VAL D 4 5 ? 10.021 48.031 -5.967 1.00 49.77 ? 4 VAL D CA 1 ATOM 4454 C C . VAL D 4 5 ? 9.506 49.475 -6.166 1.00 48.31 ? 4 VAL D C 1 ATOM 4455 O O . VAL D 4 5 ? 8.649 49.722 -7.015 1.00 48.03 ? 4 VAL D O 1 ATOM 4456 C CB . VAL D 4 5 ? 10.945 47.626 -7.162 1.00 47.60 ? 4 VAL D CB 1 ATOM 4457 C CG1 . VAL D 4 5 ? 12.058 48.634 -7.369 1.00 44.88 ? 4 VAL D CG1 1 ATOM 4458 C CG2 . VAL D 4 5 ? 11.536 46.220 -6.966 1.00 47.93 ? 4 VAL D CG2 1 ATOM 4459 N N . THR D 4 6 ? 10.031 50.423 -5.393 1.00 46.36 ? 5 THR D N 1 ATOM 4460 C CA . THR D 4 6 ? 9.608 51.815 -5.508 1.00 44.96 ? 5 THR D CA 1 ATOM 4461 C C . THR D 4 6 ? 10.738 52.747 -5.972 1.00 42.17 ? 5 THR D C 1 ATOM 4462 O O . THR D 4 6 ? 11.929 52.449 -5.788 1.00 41.22 ? 5 THR D O 1 ATOM 4463 C CB . THR D 4 6 ? 8.956 52.369 -4.184 1.00 48.13 ? 5 THR D CB 1 ATOM 4464 O OG1 . THR D 4 6 ? 9.957 52.516 -3.171 1.00 47.85 ? 5 THR D OG1 1 ATOM 4465 C CG2 . THR D 4 6 ? 7.809 51.451 -3.682 1.00 49.12 ? 5 THR D CG2 1 ATOM 4466 N N . GLN D 4 7 ? 10.346 53.876 -6.554 1.00 40.01 ? 6 GLN D N 1 ATOM 4467 C CA . GLN D 4 7 ? 11.276 54.836 -7.129 1.00 37.75 ? 6 GLN D CA 1 ATOM 4468 C C . GLN D 4 7 ? 10.855 56.237 -6.739 1.00 38.68 ? 6 GLN D C 1 ATOM 4469 O O . GLN D 4 7 ? 9.664 56.545 -6.705 1.00 40.33 ? 6 GLN D O 1 ATOM 4470 C CB . GLN D 4 7 ? 11.279 54.738 -8.662 1.00 35.17 ? 6 GLN D CB 1 ATOM 4471 C CG . GLN D 4 7 ? 12.120 53.606 -9.220 1.00 33.27 ? 6 GLN D CG 1 ATOM 4472 C CD . GLN D 4 7 ? 12.009 53.468 -10.742 1.00 32.38 ? 6 GLN D CD 1 ATOM 4473 O OE1 . GLN D 4 7 ? 11.529 52.451 -11.235 1.00 31.11 ? 6 GLN D OE1 1 ATOM 4474 N NE2 . GLN D 4 7 ? 12.445 54.502 -11.487 1.00 28.99 ? 6 GLN D NE2 1 ATOM 4475 N N . SER D 4 8 ? 11.819 57.090 -6.449 1.00 37.80 ? 7 SER D N 1 ATOM 4476 C CA . SER D 4 8 ? 11.508 58.488 -6.171 1.00 39.22 ? 7 SER D CA 1 ATOM 4477 C C . SER D 4 8 ? 12.621 59.360 -6.721 1.00 37.39 ? 7 SER D C 1 ATOM 4478 O O . SER D 4 8 ? 13.767 58.923 -6.765 1.00 36.18 ? 7 SER D O 1 ATOM 4479 C CB . SER D 4 8 ? 11.346 58.724 -4.669 1.00 41.92 ? 7 SER D CB 1 ATOM 4480 O OG . SER D 4 8 ? 12.534 58.336 -4.015 1.00 44.19 ? 7 SER D OG 1 ATOM 4481 N N . PRO D 4 9 ? 12.275 60.565 -7.223 1.00 37.34 ? 8 PRO D N 1 ATOM 4482 C CA . PRO D 4 9 ? 10.904 60.992 -7.445 1.00 37.98 ? 8 PRO D CA 1 ATOM 4483 C C . PRO D 4 9 ? 10.355 60.225 -8.650 1.00 36.80 ? 8 PRO D C 1 ATOM 4484 O O . PRO D 4 9 ? 11.075 59.436 -9.274 1.00 35.75 ? 8 PRO D O 1 ATOM 4485 C CB . PRO D 4 9 ? 11.069 62.465 -7.799 1.00 37.81 ? 8 PRO D CB 1 ATOM 4486 C CG . PRO D 4 9 ? 12.347 62.465 -8.576 1.00 36.76 ? 8 PRO D CG 1 ATOM 4487 C CD . PRO D 4 9 ? 13.237 61.502 -7.835 1.00 36.08 ? 8 PRO D CD 1 ATOM 4488 N N . ARG D 4 10 ? 9.096 60.446 -8.974 1.00 37.95 ? 9 ARG D N 1 ATOM 4489 C CA . ARG D 4 10 ? 8.491 59.781 -10.110 1.00 37.59 ? 9 ARG D CA 1 ATOM 4490 C C . ARG D 4 10 ? 8.641 60.626 -11.377 1.00 36.01 ? 9 ARG D C 1 ATOM 4491 O O . ARG D 4 10 ? 8.464 60.148 -12.498 1.00 34.74 ? 9 ARG D O 1 ATOM 4492 C CB . ARG D 4 10 ? 7.036 59.482 -9.774 1.00 40.03 ? 9 ARG D CB 1 ATOM 4493 C CG . ARG D 4 10 ? 6.935 58.419 -8.633 1.00 44.76 ? 9 ARG D CG 1 ATOM 4494 C CD . ARG D 4 10 ? 7.510 57.037 -9.132 1.00 46.44 ? 9 ARG D CD 1 ATOM 4495 N NE . ARG D 4 10 ? 6.843 56.728 -10.395 1.00 50.89 ? 9 ARG D NE 1 ATOM 4496 C CZ . ARG D 4 10 ? 5.615 56.212 -10.479 1.00 54.56 ? 9 ARG D CZ 1 ATOM 4497 N NH1 . ARG D 4 10 ? 4.950 55.868 -9.372 1.00 53.84 ? 9 ARG D NH1 1 ATOM 4498 N NH2 . ARG D 4 10 ? 5.067 56.010 -11.677 1.00 56.47 ? 9 ARG D NH2 1 ATOM 4499 N N . ASN D 4 11 ? 8.985 61.888 -11.168 1.00 35.22 ? 10 ASN D N 1 ATOM 4500 C CA . ASN D 4 11 ? 9.073 62.850 -12.231 1.00 34.62 ? 10 ASN D CA 1 ATOM 4501 C C . ASN D 4 11 ? 9.953 63.992 -11.743 1.00 34.26 ? 10 ASN D C 1 ATOM 4502 O O . ASN D 4 11 ? 9.815 64.445 -10.618 1.00 35.02 ? 10 ASN D O 1 ATOM 4503 C CB . ASN D 4 11 ? 7.665 63.328 -12.601 1.00 35.85 ? 10 ASN D CB 1 ATOM 4504 C CG . ASN D 4 11 ? 7.587 63.887 -14.001 1.00 37.13 ? 10 ASN D CG 1 ATOM 4505 O OD1 . ASN D 4 11 ? 8.432 64.686 -14.417 1.00 40.12 ? 10 ASN D OD1 1 ATOM 4506 N ND2 . ASN D 4 11 ? 6.565 63.492 -14.734 1.00 36.31 ? 10 ASN D ND2 1 ATOM 4507 N N . LYS D 4 12 ? 10.878 64.436 -12.584 1.00 33.36 ? 11 LYS D N 1 ATOM 4508 C CA . LYS D 4 12 ? 11.826 65.476 -12.202 1.00 33.29 ? 11 LYS D CA 1 ATOM 4509 C C . LYS D 4 12 ? 12.125 66.348 -13.388 1.00 33.50 ? 11 LYS D C 1 ATOM 4510 O O . LYS D 4 12 ? 12.446 65.842 -14.466 1.00 33.26 ? 11 LYS D O 1 ATOM 4511 C CB . LYS D 4 12 ? 13.137 64.854 -11.725 1.00 32.81 ? 11 LYS D CB 1 ATOM 4512 C CG . LYS D 4 12 ? 14.271 65.842 -11.441 1.00 33.18 ? 11 LYS D CG 1 ATOM 4513 C CD . LYS D 4 12 ? 13.996 66.692 -10.214 1.00 38.11 ? 11 LYS D CD 1 ATOM 4514 C CE . LYS D 4 12 ? 15.225 67.495 -9.825 1.00 38.24 ? 11 LYS D CE 1 ATOM 4515 N NZ . LYS D 4 12 ? 14.894 68.370 -8.675 1.00 43.16 ? 11 LYS D NZ 1 ATOM 4516 N N . VAL D 4 13 ? 12.007 67.654 -13.194 1.00 34.33 ? 12 VAL D N 1 ATOM 4517 C CA . VAL D 4 13 ? 12.483 68.612 -14.165 1.00 34.26 ? 12 VAL D CA 1 ATOM 4518 C C . VAL D 4 13 ? 13.792 69.202 -13.626 1.00 35.10 ? 12 VAL D C 1 ATOM 4519 O O . VAL D 4 13 ? 13.844 69.708 -12.491 1.00 36.20 ? 12 VAL D O 1 ATOM 4520 C CB . VAL D 4 13 ? 11.434 69.705 -14.427 1.00 35.71 ? 12 VAL D CB 1 ATOM 4521 C CG1 . VAL D 4 13 ? 11.974 70.765 -15.401 1.00 36.11 ? 12 VAL D CG1 1 ATOM 4522 C CG2 . VAL D 4 13 ? 10.130 69.077 -14.961 1.00 33.53 ? 12 VAL D CG2 1 ATOM 4523 N N . ALA D 4 14 ? 14.858 69.102 -14.421 1.00 34.28 ? 13 ALA D N 1 ATOM 4524 C CA . ALA D 4 14 ? 16.161 69.598 -13.995 1.00 34.62 ? 13 ALA D CA 1 ATOM 4525 C C . ALA D 4 14 ? 16.822 70.488 -15.049 1.00 35.17 ? 13 ALA D C 1 ATOM 4526 O O . ALA D 4 14 ? 16.433 70.471 -16.213 1.00 34.55 ? 13 ALA D O 1 ATOM 4527 C CB . ALA D 4 14 ? 17.066 68.423 -13.626 1.00 33.32 ? 13 ALA D CB 1 ATOM 4528 N N . VAL D 4 15 ? 17.828 71.258 -14.627 1.00 36.91 ? 14 VAL D N 1 ATOM 4529 C CA . VAL D 4 15 ? 18.632 72.099 -15.528 1.00 37.99 ? 14 VAL D CA 1 ATOM 4530 C C . VAL D 4 15 ? 19.965 71.404 -15.890 1.00 38.93 ? 14 VAL D C 1 ATOM 4531 O O . VAL D 4 15 ? 20.538 70.670 -15.073 1.00 38.89 ? 14 VAL D O 1 ATOM 4532 C CB . VAL D 4 15 ? 18.871 73.504 -14.903 1.00 39.50 ? 14 VAL D CB 1 ATOM 4533 C CG1 . VAL D 4 15 ? 19.879 73.473 -13.750 1.00 38.62 ? 14 VAL D CG1 1 ATOM 4534 C CG2 . VAL D 4 15 ? 19.272 74.539 -15.963 1.00 41.77 ? 14 VAL D CG2 1 ATOM 4535 N N . THR D 4 16 ? 20.437 71.630 -17.119 1.00 40.21 ? 15 THR D N 1 ATOM 4536 C CA . THR D 4 16 ? 21.799 71.283 -17.557 1.00 41.38 ? 15 THR D CA 1 ATOM 4537 C C . THR D 4 16 ? 22.839 71.728 -16.525 1.00 43.05 ? 15 THR D C 1 ATOM 4538 O O . THR D 4 16 ? 22.869 72.891 -16.127 1.00 44.08 ? 15 THR D O 1 ATOM 4539 C CB . THR D 4 16 ? 22.125 71.956 -18.925 1.00 42.88 ? 15 THR D CB 1 ATOM 4540 O OG1 . THR D 4 16 ? 21.204 71.480 -19.913 1.00 43.20 ? 15 THR D OG1 1 ATOM 4541 C CG2 . THR D 4 16 ? 23.538 71.637 -19.390 1.00 44.36 ? 15 THR D CG2 1 ATOM 4542 N N . GLY D 4 17 ? 23.682 70.791 -16.097 1.00 43.31 ? 16 GLY D N 1 ATOM 4543 C CA . GLY D 4 17 ? 24.743 71.091 -15.143 1.00 45.74 ? 16 GLY D CA 1 ATOM 4544 C C . GLY D 4 17 ? 24.350 70.856 -13.690 1.00 45.79 ? 16 GLY D C 1 ATOM 4545 O O . GLY D 4 17 ? 25.211 70.821 -12.806 1.00 47.70 ? 16 GLY D O 1 ATOM 4546 N N . GLY D 4 18 ? 23.051 70.692 -13.441 1.00 44.34 ? 17 GLY D N 1 ATOM 4547 C CA . GLY D 4 18 ? 22.551 70.414 -12.093 1.00 43.95 ? 17 GLY D CA 1 ATOM 4548 C C . GLY D 4 18 ? 22.770 68.974 -11.666 1.00 42.34 ? 17 GLY D C 1 ATOM 4549 O O . GLY D 4 18 ? 22.918 68.093 -12.504 1.00 41.30 ? 17 GLY D O 1 ATOM 4550 N N . LYS D 4 19 ? 22.804 68.739 -10.356 1.00 42.65 ? 18 LYS D N 1 ATOM 4551 C CA . LYS D 4 19 ? 22.874 67.394 -9.828 1.00 41.20 ? 18 LYS D CA 1 ATOM 4552 C C . LYS D 4 19 ? 21.480 66.801 -9.670 1.00 39.20 ? 18 LYS D C 1 ATOM 4553 O O . LYS D 4 19 ? 20.577 67.440 -9.133 1.00 39.91 ? 18 LYS D O 1 ATOM 4554 C CB . LYS D 4 19 ? 23.622 67.374 -8.499 1.00 43.81 ? 18 LYS D CB 1 ATOM 4555 C CG . LYS D 4 19 ? 23.999 65.956 -8.004 1.00 43.94 ? 18 LYS D CG 1 ATOM 4556 C CD . LYS D 4 19 ? 24.704 66.082 -6.662 1.00 49.70 ? 18 LYS D CD 1 ATOM 4557 C CE . LYS D 4 19 ? 24.702 64.809 -5.830 1.00 52.19 ? 18 LYS D CE 1 ATOM 4558 N NZ . LYS D 4 19 ? 25.108 65.168 -4.411 1.00 58.11 ? 18 LYS D NZ 1 ATOM 4559 N N . VAL D 4 20 ? 21.316 65.575 -10.152 1.00 36.99 ? 19 VAL D N 1 ATOM 4560 C CA . VAL D 4 20 ? 20.074 64.827 -10.015 1.00 35.04 ? 19 VAL D CA 1 ATOM 4561 C C . VAL D 4 20 ? 20.366 63.446 -9.443 1.00 34.69 ? 19 VAL D C 1 ATOM 4562 O O . VAL D 4 20 ? 21.310 62.772 -9.862 1.00 33.37 ? 19 VAL D O 1 ATOM 4563 C CB . VAL D 4 20 ? 19.327 64.699 -11.362 1.00 33.63 ? 19 VAL D CB 1 ATOM 4564 C CG1 . VAL D 4 20 ? 18.149 63.739 -11.249 1.00 31.57 ? 19 VAL D CG1 1 ATOM 4565 C CG2 . VAL D 4 20 ? 18.830 66.048 -11.811 1.00 33.68 ? 19 VAL D CG2 1 ATOM 4566 N N . THR D 4 21 ? 19.556 63.048 -8.469 1.00 35.30 ? 20 THR D N 1 ATOM 4567 C CA . THR D 4 21 ? 19.645 61.721 -7.874 1.00 35.53 ? 20 THR D CA 1 ATOM 4568 C C . THR D 4 21 ? 18.323 61.020 -8.055 1.00 34.70 ? 20 THR D C 1 ATOM 4569 O O . THR D 4 21 ? 17.270 61.536 -7.672 1.00 34.85 ? 20 THR D O 1 ATOM 4570 C CB . THR D 4 21 ? 19.979 61.772 -6.354 1.00 37.74 ? 20 THR D CB 1 ATOM 4571 O OG1 . THR D 4 21 ? 21.207 62.466 -6.173 1.00 39.89 ? 20 THR D OG1 1 ATOM 4572 C CG2 . THR D 4 21 ? 20.130 60.353 -5.766 1.00 38.08 ? 20 THR D CG2 1 ATOM 4573 N N . LEU D 4 22 ? 18.395 59.832 -8.639 1.00 33.48 ? 21 LEU D N 1 ATOM 4574 C CA . LEU D 4 22 ? 17.232 59.002 -8.803 1.00 32.97 ? 21 LEU D CA 1 ATOM 4575 C C . LEU D 4 22 ? 17.365 57.892 -7.792 1.00 34.21 ? 21 LEU D C 1 ATOM 4576 O O . LEU D 4 22 ? 18.408 57.235 -7.710 1.00 34.58 ? 21 LEU D O 1 ATOM 4577 C CB . LEU D 4 22 ? 17.173 58.475 -10.232 1.00 31.12 ? 21 LEU D CB 1 ATOM 4578 C CG . LEU D 4 22 ? 17.095 59.603 -11.280 1.00 30.78 ? 21 LEU D CG 1 ATOM 4579 C CD1 . LEU D 4 22 ? 16.780 59.015 -12.649 1.00 29.41 ? 21 LEU D CD1 1 ATOM 4580 C CD2 . LEU D 4 22 ? 16.059 60.707 -10.913 1.00 29.32 ? 21 LEU D CD2 1 ATOM 4581 N N . SER D 4 23 ? 16.325 57.698 -7.000 1.00 35.22 ? 22 SER D N 1 ATOM 4582 C CA . SER D 4 23 ? 16.399 56.731 -5.927 1.00 37.11 ? 22 SER D CA 1 ATOM 4583 C C . SER D 4 23 ? 15.459 55.559 -6.150 1.00 36.43 ? 22 SER D C 1 ATOM 4584 O O . SER D 4 23 ? 14.329 55.721 -6.635 1.00 35.38 ? 22 SER D O 1 ATOM 4585 C CB . SER D 4 23 ? 16.116 57.376 -4.566 1.00 39.30 ? 22 SER D CB 1 ATOM 4586 O OG . SER D 4 23 ? 17.016 58.446 -4.318 1.00 43.66 ? 22 SER D OG 1 ATOM 4587 N N . CYS D 4 24 ? 15.948 54.393 -5.747 1.00 36.23 ? 23 CYS D N 1 ATOM 4588 C CA . CYS D 4 24 ? 15.193 53.170 -5.831 1.00 36.96 ? 23 CYS D CA 1 ATOM 4589 C C . CYS D 4 24 ? 15.236 52.443 -4.508 1.00 38.16 ? 23 CYS D C 1 ATOM 4590 O O . CYS D 4 24 ? 16.308 52.219 -3.964 1.00 38.72 ? 23 CYS D O 1 ATOM 4591 C CB . CYS D 4 24 ? 15.786 52.269 -6.903 1.00 34.91 ? 23 CYS D CB 1 ATOM 4592 S SG . CYS D 4 24 ? 14.872 50.760 -7.025 1.00 37.54 ? 23 CYS D SG 1 ATOM 4593 N N . ASN D 4 25 ? 14.066 52.067 -4.008 1.00 39.69 ? 24 ASN D N 1 ATOM 4594 C CA . ASN D 4 25 ? 13.952 51.315 -2.760 1.00 41.93 ? 24 ASN D CA 1 ATOM 4595 C C . ASN D 4 25 ? 13.239 49.978 -2.912 1.00 41.68 ? 24 ASN D C 1 ATOM 4596 O O . ASN D 4 25 ? 12.263 49.853 -3.650 1.00 40.70 ? 24 ASN D O 1 ATOM 4597 C CB . ASN D 4 25 ? 13.240 52.132 -1.680 1.00 45.08 ? 24 ASN D CB 1 ATOM 4598 C CG . ASN D 4 25 ? 13.200 51.404 -0.345 1.00 49.43 ? 24 ASN D CG 1 ATOM 4599 O OD1 . ASN D 4 25 ? 14.145 51.489 0.437 1.00 54.39 ? 24 ASN D OD1 1 ATOM 4600 N ND2 . ASN D 4 25 ? 12.105 50.685 -0.076 1.00 50.11 ? 24 ASN D ND2 1 ATOM 4601 N N . GLN D 4 26 ? 13.701 48.997 -2.143 1.00 42.65 ? 25 GLN D N 1 ATOM 4602 C CA . GLN D 4 26 ? 13.237 47.638 -2.266 1.00 42.76 ? 25 GLN D CA 1 ATOM 4603 C C . GLN D 4 26 ? 13.346 46.968 -0.901 1.00 45.31 ? 25 GLN D C 1 ATOM 4604 O O . GLN D 4 26 ? 14.413 46.958 -0.294 1.00 46.14 ? 25 GLN D O 1 ATOM 4605 C CB . GLN D 4 26 ? 14.105 46.974 -3.347 1.00 40.39 ? 25 GLN D CB 1 ATOM 4606 C CG . GLN D 4 26 ? 14.109 45.518 -3.404 1.00 41.98 ? 25 GLN D CG 1 ATOM 4607 C CD . GLN D 4 26 ? 15.120 44.872 -2.495 1.00 41.30 ? 25 GLN D CD 1 ATOM 4608 O OE1 . GLN D 4 26 ? 14.733 44.097 -1.654 1.00 44.84 ? 25 GLN D OE1 1 ATOM 4609 N NE2 . GLN D 4 26 ? 16.414 45.181 -2.663 1.00 39.95 ? 25 GLN D NE2 1 ATOM 4610 N N . THR D 4 27 ? 12.244 46.401 -0.419 1.00 47.38 ? 26 THR D N 1 ATOM 4611 C CA . THR D 4 27 ? 12.216 45.758 0.892 1.00 50.62 ? 26 THR D CA 1 ATOM 4612 C C . THR D 4 27 ? 12.132 44.224 0.832 1.00 50.66 ? 26 THR D C 1 ATOM 4613 O O . THR D 4 27 ? 11.716 43.588 1.806 1.00 52.79 ? 26 THR D O 1 ATOM 4614 C CB . THR D 4 27 ? 11.033 46.295 1.748 1.00 54.25 ? 26 THR D CB 1 ATOM 4615 O OG1 . THR D 4 27 ? 9.806 46.121 1.022 1.00 55.21 ? 26 THR D OG1 1 ATOM 4616 C CG2 . THR D 4 27 ? 11.232 47.780 2.080 1.00 54.02 ? 26 THR D CG2 1 ATOM 4617 N N . ASN D 4 28 ? 12.529 43.646 -0.305 1.00 47.84 ? 27 ASN D N 1 ATOM 4618 C CA . ASN D 4 28 ? 12.407 42.199 -0.556 1.00 48.34 ? 27 ASN D CA 1 ATOM 4619 C C . ASN D 4 28 ? 13.623 41.435 -0.061 1.00 48.33 ? 27 ASN D C 1 ATOM 4620 O O . ASN D 4 28 ? 13.682 40.210 -0.174 1.00 48.42 ? 27 ASN D O 1 ATOM 4621 C CB . ASN D 4 28 ? 12.268 41.918 -2.059 1.00 45.87 ? 27 ASN D CB 1 ATOM 4622 C CG . ASN D 4 28 ? 11.227 42.787 -2.736 1.00 46.70 ? 27 ASN D CG 1 ATOM 4623 O OD1 . ASN D 4 28 ? 10.093 42.864 -2.282 1.00 51.48 ? 27 ASN D OD1 1 ATOM 4624 N ND2 . ASN D 4 28 ? 11.608 43.433 -3.846 1.00 44.87 ? 27 ASN D ND2 1 ATOM 4625 N N . ASN D 4 29 ? 14.601 42.172 0.463 1.00 48.63 ? 28 ASN D N 1 ATOM 4626 C CA . ASN D 4 29 ? 15.920 41.622 0.828 1.00 48.97 ? 28 ASN D CA 1 ATOM 4627 C C . ASN D 4 29 ? 16.651 41.009 -0.379 1.00 45.51 ? 28 ASN D C 1 ATOM 4628 O O . ASN D 4 29 ? 17.349 39.988 -0.251 1.00 45.34 ? 28 ASN D O 1 ATOM 4629 C CB . ASN D 4 29 ? 15.827 40.636 2.025 1.00 52.31 ? 28 ASN D CB 1 ATOM 4630 C CG . ASN D 4 29 ? 17.186 40.395 2.709 1.00 54.55 ? 28 ASN D CG 1 ATOM 4631 O OD1 . ASN D 4 29 ? 18.050 41.280 2.748 1.00 56.00 ? 28 ASN D OD1 1 ATOM 4632 N ND2 . ASN D 4 29 ? 17.373 39.194 3.246 1.00 55.51 ? 28 ASN D ND2 1 ATOM 4633 N N . HIS D 4 30 ? 16.474 41.641 -1.545 1.00 41.99 ? 29 HIS D N 1 ATOM 4634 C CA . HIS D 4 30 ? 17.135 41.209 -2.771 1.00 38.98 ? 29 HIS D CA 1 ATOM 4635 C C . HIS D 4 30 ? 18.567 41.718 -2.780 1.00 37.91 ? 29 HIS D C 1 ATOM 4636 O O . HIS D 4 30 ? 18.802 42.907 -2.522 1.00 38.59 ? 29 HIS D O 1 ATOM 4637 C CB . HIS D 4 30 ? 16.386 41.708 -4.022 1.00 36.97 ? 29 HIS D CB 1 ATOM 4638 C CG . HIS D 4 30 ? 15.108 40.973 -4.303 1.00 37.39 ? 29 HIS D CG 1 ATOM 4639 N ND1 . HIS D 4 30 ? 14.169 41.429 -5.208 1.00 36.13 ? 29 HIS D ND1 1 ATOM 4640 C CD2 . HIS D 4 30 ? 14.601 39.829 -3.780 1.00 38.08 ? 29 HIS D CD2 1 ATOM 4641 C CE1 . HIS D 4 30 ? 13.147 40.589 -5.236 1.00 37.36 ? 29 HIS D CE1 1 ATOM 4642 N NE2 . HIS D 4 30 ? 13.383 39.610 -4.379 1.00 38.17 ? 29 HIS D NE2 1 ATOM 4643 N N . ASN D 4 31 ? 19.526 40.835 -3.069 1.00 36.18 ? 30 ASN D N 1 ATOM 4644 C CA . ASN D 4 31 ? 20.915 41.278 -3.148 1.00 34.99 ? 30 ASN D CA 1 ATOM 4645 C C . ASN D 4 31 ? 21.112 42.201 -4.344 1.00 32.91 ? 30 ASN D C 1 ATOM 4646 O O . ASN D 4 31 ? 21.914 43.127 -4.287 1.00 33.61 ? 30 ASN D O 1 ATOM 4647 C CB . ASN D 4 31 ? 21.874 40.098 -3.308 1.00 34.75 ? 30 ASN D CB 1 ATOM 4648 C CG . ASN D 4 31 ? 22.243 39.419 -1.997 1.00 36.22 ? 30 ASN D CG 1 ATOM 4649 O OD1 . ASN D 4 31 ? 21.755 39.756 -0.903 1.00 38.14 ? 30 ASN D OD1 1 ATOM 4650 N ND2 . ASN D 4 31 ? 23.121 38.435 -2.109 1.00 35.49 ? 30 ASN D ND2 1 ATOM 4651 N N . ASN D 4 32 ? 20.378 41.945 -5.425 1.00 30.49 ? 31 ASN D N 1 ATOM 4652 C CA . ASN D 4 32 ? 20.723 42.509 -6.725 1.00 28.89 ? 31 ASN D CA 1 ATOM 4653 C C . ASN D 4 32 ? 19.789 43.627 -7.221 1.00 27.92 ? 31 ASN D C 1 ATOM 4654 O O . ASN D 4 32 ? 18.570 43.471 -7.227 1.00 28.00 ? 31 ASN D O 1 ATOM 4655 C CB . ASN D 4 32 ? 20.819 41.354 -7.721 1.00 27.42 ? 31 ASN D CB 1 ATOM 4656 C CG . ASN D 4 32 ? 21.595 40.170 -7.138 1.00 29.45 ? 31 ASN D CG 1 ATOM 4657 O OD1 . ASN D 4 32 ? 22.697 40.358 -6.611 1.00 29.84 ? 31 ASN D OD1 1 ATOM 4658 N ND2 . ASN D 4 32 ? 21.006 38.965 -7.177 1.00 27.95 ? 31 ASN D ND2 1 ATOM 4659 N N . MET D 4 33 ? 20.363 44.742 -7.645 1.00 27.22 ? 32 MET D N 1 ATOM 4660 C CA . MET D 4 33 ? 19.561 45.848 -8.157 1.00 28.02 ? 32 MET D CA 1 ATOM 4661 C C . MET D 4 33 ? 20.125 46.396 -9.478 1.00 27.45 ? 32 MET D C 1 ATOM 4662 O O . MET D 4 33 ? 21.320 46.253 -9.756 1.00 28.07 ? 32 MET D O 1 ATOM 4663 C CB . MET D 4 33 ? 19.412 46.948 -7.092 1.00 28.80 ? 32 MET D CB 1 ATOM 4664 C CG . MET D 4 33 ? 18.783 46.434 -5.811 1.00 29.25 ? 32 MET D CG 1 ATOM 4665 S SD . MET D 4 33 ? 18.407 47.643 -4.554 1.00 33.83 ? 32 MET D SD 1 ATOM 4666 C CE . MET D 4 33 ? 17.057 48.546 -5.393 1.00 28.27 ? 32 MET D CE 1 ATOM 4667 N N . TYR D 4 34 ? 19.267 47.018 -10.276 1.00 26.64 ? 33 TYR D N 1 ATOM 4668 C CA . TYR D 4 34 ? 19.605 47.336 -11.654 1.00 26.96 ? 33 TYR D CA 1 ATOM 4669 C C . TYR D 4 34 ? 18.942 48.643 -12.022 1.00 27.70 ? 33 TYR D C 1 ATOM 4670 O O . TYR D 4 34 ? 17.782 48.890 -11.655 1.00 28.55 ? 33 TYR D O 1 ATOM 4671 C CB . TYR D 4 34 ? 19.104 46.233 -12.623 1.00 26.05 ? 33 TYR D CB 1 ATOM 4672 C CG . TYR D 4 34 ? 19.473 44.815 -12.218 1.00 26.48 ? 33 TYR D CG 1 ATOM 4673 C CD1 . TYR D 4 34 ? 20.633 44.209 -12.699 1.00 26.63 ? 33 TYR D CD1 1 ATOM 4674 C CD2 . TYR D 4 34 ? 18.661 44.086 -11.335 1.00 29.01 ? 33 TYR D CD2 1 ATOM 4675 C CE1 . TYR D 4 34 ? 20.991 42.916 -12.303 1.00 28.71 ? 33 TYR D CE1 1 ATOM 4676 C CE2 . TYR D 4 34 ? 18.998 42.788 -10.930 1.00 27.52 ? 33 TYR D CE2 1 ATOM 4677 C CZ . TYR D 4 34 ? 20.168 42.206 -11.425 1.00 29.00 ? 33 TYR D CZ 1 ATOM 4678 O OH . TYR D 4 34 ? 20.509 40.922 -11.071 1.00 25.08 ? 33 TYR D OH 1 ATOM 4679 N N . TRP D 4 35 ? 19.669 49.467 -12.775 1.00 27.51 ? 34 TRP D N 1 ATOM 4680 C CA . TRP D 4 35 ? 19.122 50.708 -13.284 1.00 26.51 ? 34 TRP D CA 1 ATOM 4681 C C . TRP D 4 35 ? 19.184 50.670 -14.781 1.00 25.69 ? 34 TRP D C 1 ATOM 4682 O O . TRP D 4 35 ? 20.205 50.279 -15.352 1.00 26.20 ? 34 TRP D O 1 ATOM 4683 C CB . TRP D 4 35 ? 19.931 51.899 -12.779 1.00 26.50 ? 34 TRP D CB 1 ATOM 4684 C CG . TRP D 4 35 ? 19.447 52.492 -11.507 1.00 27.26 ? 34 TRP D CG 1 ATOM 4685 C CD1 . TRP D 4 35 ? 20.096 52.500 -10.325 1.00 27.96 ? 34 TRP D CD1 1 ATOM 4686 C CD2 . TRP D 4 35 ? 18.226 53.223 -11.304 1.00 26.66 ? 34 TRP D CD2 1 ATOM 4687 N NE1 . TRP D 4 35 ? 19.352 53.165 -9.380 1.00 29.28 ? 34 TRP D NE1 1 ATOM 4688 C CE2 . TRP D 4 35 ? 18.200 53.619 -9.960 1.00 25.99 ? 34 TRP D CE2 1 ATOM 4689 C CE3 . TRP D 4 35 ? 17.142 53.562 -12.132 1.00 27.16 ? 34 TRP D CE3 1 ATOM 4690 C CZ2 . TRP D 4 35 ? 17.149 54.357 -9.413 1.00 28.35 ? 34 TRP D CZ2 1 ATOM 4691 C CZ3 . TRP D 4 35 ? 16.087 54.299 -11.589 1.00 27.97 ? 34 TRP D CZ3 1 ATOM 4692 C CH2 . TRP D 4 35 ? 16.099 54.679 -10.237 1.00 28.36 ? 34 TRP D CH2 1 ATOM 4693 N N . TYR D 4 36 ? 18.097 51.105 -15.411 1.00 25.49 ? 35 TYR D N 1 ATOM 4694 C CA . TYR D 4 36 ? 17.982 51.149 -16.857 1.00 25.18 ? 35 TYR D CA 1 ATOM 4695 C C . TYR D 4 36 ? 17.348 52.471 -17.223 1.00 25.55 ? 35 TYR D C 1 ATOM 4696 O O . TYR D 4 36 ? 16.679 53.105 -16.391 1.00 24.72 ? 35 TYR D O 1 ATOM 4697 C CB . TYR D 4 36 ? 16.993 50.077 -17.370 1.00 25.69 ? 35 TYR D CB 1 ATOM 4698 C CG . TYR D 4 36 ? 17.283 48.604 -17.102 1.00 25.56 ? 35 TYR D CG 1 ATOM 4699 C CD1 . TYR D 4 36 ? 16.950 48.015 -15.887 1.00 26.49 ? 35 TYR D CD1 1 ATOM 4700 C CD2 . TYR D 4 36 ? 17.799 47.784 -18.108 1.00 24.64 ? 35 TYR D CD2 1 ATOM 4701 C CE1 . TYR D 4 36 ? 17.189 46.648 -15.659 1.00 25.14 ? 35 TYR D CE1 1 ATOM 4702 C CE2 . TYR D 4 36 ? 18.052 46.439 -17.890 1.00 24.60 ? 35 TYR D CE2 1 ATOM 4703 C CZ . TYR D 4 36 ? 17.732 45.876 -16.670 1.00 24.46 ? 35 TYR D CZ 1 ATOM 4704 O OH . TYR D 4 36 ? 17.961 44.528 -16.476 1.00 26.53 ? 35 TYR D OH 1 ATOM 4705 N N . ARG D 4 37 ? 17.520 52.843 -18.496 1.00 25.89 ? 36 ARG D N 1 ATOM 4706 C CA . ARG D 4 37 ? 16.760 53.914 -19.112 1.00 26.26 ? 36 ARG D CA 1 ATOM 4707 C C . ARG D 4 37 ? 16.114 53.411 -20.383 1.00 26.64 ? 36 ARG D C 1 ATOM 4708 O O . ARG D 4 37 ? 16.656 52.538 -21.101 1.00 26.28 ? 36 ARG D O 1 ATOM 4709 C CB . ARG D 4 37 ? 17.623 55.170 -19.399 1.00 26.42 ? 36 ARG D CB 1 ATOM 4710 C CG . ARG D 4 37 ? 18.751 54.957 -20.373 1.00 27.58 ? 36 ARG D CG 1 ATOM 4711 C CD . ARG D 4 37 ? 19.532 56.255 -20.634 1.00 28.40 ? 36 ARG D CD 1 ATOM 4712 N NE . ARG D 4 37 ? 18.797 57.136 -21.536 1.00 29.70 ? 36 ARG D NE 1 ATOM 4713 C CZ . ARG D 4 37 ? 19.208 58.345 -21.905 1.00 30.86 ? 36 ARG D CZ 1 ATOM 4714 N NH1 . ARG D 4 37 ? 20.358 58.822 -21.448 1.00 29.65 ? 36 ARG D NH1 1 ATOM 4715 N NH2 . ARG D 4 37 ? 18.472 59.079 -22.737 1.00 31.95 ? 36 ARG D NH2 1 ATOM 4716 N N . GLN D 4 38 ? 14.951 53.989 -20.652 1.00 27.35 ? 37 GLN D N 1 ATOM 4717 C CA . GLN D 4 38 ? 14.123 53.622 -21.779 1.00 28.48 ? 37 GLN D CA 1 ATOM 4718 C C . GLN D 4 38 ? 13.925 54.807 -22.650 1.00 30.30 ? 37 GLN D C 1 ATOM 4719 O O . GLN D 4 38 ? 13.344 55.801 -22.216 1.00 30.81 ? 37 GLN D O 1 ATOM 4720 C CB . GLN D 4 38 ? 12.759 53.144 -21.313 1.00 27.99 ? 37 GLN D CB 1 ATOM 4721 C CG . GLN D 4 38 ? 11.822 52.841 -22.479 1.00 29.39 ? 37 GLN D CG 1 ATOM 4722 C CD . GLN D 4 38 ? 10.466 52.315 -22.023 1.00 31.81 ? 37 GLN D CD 1 ATOM 4723 O OE1 . GLN D 4 38 ? 9.834 52.874 -21.121 1.00 31.78 ? 37 GLN D OE1 1 ATOM 4724 N NE2 . GLN D 4 38 ? 10.015 51.245 -22.652 1.00 29.59 ? 37 GLN D NE2 1 ATOM 4725 N N . ASP D 4 39 ? 14.390 54.712 -23.884 1.00 32.68 ? 38 ASP D N 1 ATOM 4726 C CA . ASP D 4 39 ? 14.168 55.788 -24.848 1.00 36.18 ? 38 ASP D CA 1 ATOM 4727 C C . ASP D 4 39 ? 13.475 55.260 -26.087 1.00 38.53 ? 38 ASP D C 1 ATOM 4728 O O . ASP D 4 39 ? 13.699 54.119 -26.501 1.00 39.00 ? 38 ASP D O 1 ATOM 4729 C CB . ASP D 4 39 ? 15.506 56.457 -25.205 1.00 36.62 ? 38 ASP D CB 1 ATOM 4730 C CG . ASP D 4 39 ? 16.242 56.940 -23.967 1.00 36.76 ? 38 ASP D CG 1 ATOM 4731 O OD1 . ASP D 4 39 ? 15.912 58.046 -23.488 1.00 36.02 ? 38 ASP D OD1 1 ATOM 4732 O OD2 . ASP D 4 39 ? 17.113 56.195 -23.445 1.00 35.54 ? 38 ASP D OD2 1 ATOM 4733 N N . THR D 4 40 ? 12.629 56.095 -26.676 1.00 41.24 ? 39 THR D N 1 ATOM 4734 C CA . THR D 4 40 ? 11.900 55.724 -27.870 1.00 44.26 ? 39 THR D CA 1 ATOM 4735 C C . THR D 4 40 ? 12.858 55.142 -28.899 1.00 45.73 ? 39 THR D C 1 ATOM 4736 O O . THR D 4 40 ? 14.001 55.600 -29.046 1.00 45.23 ? 39 THR D O 1 ATOM 4737 C CB . THR D 4 40 ? 11.171 56.936 -28.465 1.00 47.00 ? 39 THR D CB 1 ATOM 4738 O OG1 . THR D 4 40 ? 12.129 57.962 -28.763 1.00 48.35 ? 39 THR D OG1 1 ATOM 4739 C CG2 . THR D 4 40 ? 10.119 57.489 -27.468 1.00 46.52 ? 39 THR D CG2 1 ATOM 4740 N N . GLY D 4 41 ? 12.403 54.094 -29.582 1.00 47.75 ? 40 GLY D N 1 ATOM 4741 C CA . GLY D 4 41 ? 13.205 53.458 -30.618 1.00 49.21 ? 40 GLY D CA 1 ATOM 4742 C C . GLY D 4 41 ? 14.222 52.464 -30.081 1.00 47.46 ? 40 GLY D C 1 ATOM 4743 O O . GLY D 4 41 ? 14.880 51.779 -30.868 1.00 49.28 ? 40 GLY D O 1 ATOM 4744 N N . HIS D 4 42 ? 14.340 52.372 -28.754 1.00 44.15 ? 41 HIS D N 1 ATOM 4745 C CA . HIS D 4 42 ? 15.282 51.439 -28.107 1.00 42.76 ? 41 HIS D CA 1 ATOM 4746 C C . HIS D 4 42 ? 14.617 50.573 -27.077 1.00 39.52 ? 41 HIS D C 1 ATOM 4747 O O . HIS D 4 42 ? 13.614 50.955 -26.508 1.00 38.89 ? 41 HIS D O 1 ATOM 4748 C CB . HIS D 4 42 ? 16.433 52.199 -27.416 1.00 41.82 ? 41 HIS D CB 1 ATOM 4749 C CG . HIS D 4 42 ? 17.309 52.920 -28.382 1.00 47.43 ? 41 HIS D CG 1 ATOM 4750 N ND1 . HIS D 4 42 ? 17.072 54.223 -28.771 1.00 50.52 ? 41 HIS D ND1 1 ATOM 4751 C CD2 . HIS D 4 42 ? 18.369 52.491 -29.110 1.00 51.29 ? 41 HIS D CD2 1 ATOM 4752 C CE1 . HIS D 4 42 ? 17.976 54.577 -29.668 1.00 54.80 ? 41 HIS D CE1 1 ATOM 4753 N NE2 . HIS D 4 42 ? 18.773 53.545 -29.889 1.00 55.46 ? 41 HIS D NE2 1 ATOM 4754 N N . GLY D 4 43 ? 15.210 49.425 -26.798 1.00 37.40 ? 42 GLY D N 1 ATOM 4755 C CA . GLY D 4 43 ? 14.754 48.637 -25.681 1.00 35.02 ? 42 GLY D CA 1 ATOM 4756 C C . GLY D 4 43 ? 15.342 49.288 -24.439 1.00 32.90 ? 42 GLY D C 1 ATOM 4757 O O . GLY D 4 43 ? 16.223 50.146 -24.560 1.00 32.83 ? 42 GLY D O 1 ATOM 4758 N N . LEU D 4 44 ? 14.871 48.903 -23.254 1.00 30.66 ? 43 LEU D N 1 ATOM 4759 C CA . LEU D 4 44 ? 15.574 49.263 -22.027 1.00 29.13 ? 43 LEU D CA 1 ATOM 4760 C C . LEU D 4 44 ? 17.057 48.919 -22.147 1.00 28.71 ? 43 LEU D C 1 ATOM 4761 O O . LEU D 4 44 ? 17.412 47.882 -22.707 1.00 29.10 ? 43 LEU D O 1 ATOM 4762 C CB . LEU D 4 44 ? 14.978 48.556 -20.806 1.00 28.11 ? 43 LEU D CB 1 ATOM 4763 C CG . LEU D 4 44 ? 13.873 49.326 -20.077 1.00 28.54 ? 43 LEU D CG 1 ATOM 4764 C CD1 . LEU D 4 44 ? 12.599 49.409 -20.937 1.00 27.77 ? 43 LEU D CD1 1 ATOM 4765 C CD2 . LEU D 4 44 ? 13.604 48.646 -18.741 1.00 25.75 ? 43 LEU D CD2 1 ATOM 4766 N N . ARG D 4 45 ? 17.903 49.823 -21.659 1.00 27.90 ? 44 ARG D N 1 ATOM 4767 C CA . ARG D 4 45 ? 19.339 49.658 -21.711 1.00 28.50 ? 44 ARG D CA 1 ATOM 4768 C C . ARG D 4 45 ? 19.919 49.763 -20.296 1.00 26.75 ? 44 ARG D C 1 ATOM 4769 O O . ARG D 4 45 ? 19.543 50.651 -19.544 1.00 26.75 ? 44 ARG D O 1 ATOM 4770 C CB . ARG D 4 45 ? 19.963 50.709 -22.643 1.00 29.88 ? 44 ARG D CB 1 ATOM 4771 C CG . ARG D 4 45 ? 19.603 50.500 -24.099 1.00 33.04 ? 44 ARG D CG 1 ATOM 4772 C CD . ARG D 4 45 ? 20.157 51.592 -24.995 1.00 37.93 ? 44 ARG D CD 1 ATOM 4773 N NE . ARG D 4 45 ? 19.507 52.873 -24.725 1.00 41.69 ? 44 ARG D NE 1 ATOM 4774 C CZ . ARG D 4 45 ? 19.912 54.033 -25.222 1.00 44.14 ? 44 ARG D CZ 1 ATOM 4775 N NH1 . ARG D 4 45 ? 20.968 54.071 -26.032 1.00 46.86 ? 44 ARG D NH1 1 ATOM 4776 N NH2 . ARG D 4 45 ? 19.262 55.146 -24.915 1.00 44.79 ? 44 ARG D NH2 1 ATOM 4777 N N . LEU D 4 46 ? 20.829 48.862 -19.955 1.00 25.63 ? 45 LEU D N 1 ATOM 4778 C CA . LEU D 4 46 ? 21.386 48.785 -18.619 1.00 25.55 ? 45 LEU D CA 1 ATOM 4779 C C . LEU D 4 46 ? 22.497 49.825 -18.403 1.00 25.96 ? 45 LEU D C 1 ATOM 4780 O O . LEU D 4 46 ? 23.461 49.889 -19.164 1.00 26.30 ? 45 LEU D O 1 ATOM 4781 C CB . LEU D 4 46 ? 21.898 47.359 -18.326 1.00 24.45 ? 45 LEU D CB 1 ATOM 4782 C CG . LEU D 4 46 ? 22.465 47.044 -16.936 1.00 25.21 ? 45 LEU D CG 1 ATOM 4783 C CD1 . LEU D 4 46 ? 21.455 47.063 -15.798 1.00 22.08 ? 45 LEU D CD1 1 ATOM 4784 C CD2 . LEU D 4 46 ? 23.195 45.679 -16.979 1.00 28.32 ? 45 LEU D CD2 1 ATOM 4785 N N . ILE D 4 47 ? 22.328 50.624 -17.346 1.00 25.81 ? 46 ILE D N 1 ATOM 4786 C CA . ILE D 4 47 ? 23.228 51.735 -16.999 1.00 25.66 ? 46 ILE D CA 1 ATOM 4787 C C . ILE D 4 47 ? 24.237 51.259 -15.958 1.00 26.19 ? 46 ILE D C 1 ATOM 4788 O O . ILE D 4 47 ? 25.423 51.250 -16.211 1.00 27.65 ? 46 ILE D O 1 ATOM 4789 C CB . ILE D 4 47 ? 22.427 52.942 -16.422 1.00 25.37 ? 46 ILE D CB 1 ATOM 4790 C CG1 . ILE D 4 47 ? 21.340 53.403 -17.405 1.00 24.68 ? 46 ILE D CG1 1 ATOM 4791 C CG2 . ILE D 4 47 ? 23.385 54.127 -16.060 1.00 25.10 ? 46 ILE D CG2 1 ATOM 4792 C CD1 . ILE D 4 47 ? 20.372 54.458 -16.866 1.00 21.52 ? 46 ILE D CD1 1 ATOM 4793 N N . HIS D 4 48 ? 23.744 50.880 -14.780 1.00 25.81 ? 47 HIS D N 1 ATOM 4794 C CA . HIS D 4 48 ? 24.552 50.342 -13.697 1.00 25.98 ? 47 HIS D CA 1 ATOM 4795 C C . HIS D 4 48 ? 23.746 49.297 -12.949 1.00 25.48 ? 47 HIS D C 1 ATOM 4796 O O . HIS D 4 48 ? 22.516 49.337 -12.952 1.00 25.31 ? 47 HIS D O 1 ATOM 4797 C CB . HIS D 4 48 ? 24.883 51.420 -12.677 1.00 27.06 ? 47 HIS D CB 1 ATOM 4798 C CG . HIS D 4 48 ? 25.862 52.456 -13.146 1.00 28.40 ? 47 HIS D CG 1 ATOM 4799 N ND1 . HIS D 4 48 ? 27.186 52.174 -13.411 1.00 30.26 ? 47 HIS D ND1 1 ATOM 4800 C CD2 . HIS D 4 48 ? 25.721 53.786 -13.326 1.00 26.57 ? 47 HIS D CD2 1 ATOM 4801 C CE1 . HIS D 4 48 ? 27.811 53.284 -13.765 1.00 29.17 ? 47 HIS D CE1 1 ATOM 4802 N NE2 . HIS D 4 48 ? 26.943 54.278 -13.720 1.00 28.71 ? 47 HIS D NE2 1 ATOM 4803 N N . TYR D 4 49 ? 24.439 48.385 -12.272 1.00 25.64 ? 48 TYR D N 1 ATOM 4804 C CA . TYR D 4 49 ? 23.785 47.432 -11.404 1.00 25.61 ? 48 TYR D CA 1 ATOM 4805 C C . TYR D 4 49 ? 24.567 47.192 -10.120 1.00 27.15 ? 48 TYR D C 1 ATOM 4806 O O . TYR D 4 49 ? 25.650 47.766 -9.901 1.00 28.05 ? 48 TYR D O 1 ATOM 4807 C CB . TYR D 4 49 ? 23.465 46.127 -12.146 1.00 24.70 ? 48 TYR D CB 1 ATOM 4808 C CG . TYR D 4 49 ? 24.678 45.404 -12.687 1.00 24.60 ? 48 TYR D CG 1 ATOM 4809 C CD1 . TYR D 4 49 ? 25.229 44.305 -12.006 1.00 24.85 ? 48 TYR D CD1 1 ATOM 4810 C CD2 . TYR D 4 49 ? 25.255 45.796 -13.890 1.00 21.72 ? 48 TYR D CD2 1 ATOM 4811 C CE1 . TYR D 4 49 ? 26.346 43.631 -12.527 1.00 25.99 ? 48 TYR D CE1 1 ATOM 4812 C CE2 . TYR D 4 49 ? 26.361 45.130 -14.420 1.00 23.80 ? 48 TYR D CE2 1 ATOM 4813 C CZ . TYR D 4 49 ? 26.898 44.053 -13.738 1.00 23.90 ? 48 TYR D CZ 1 ATOM 4814 O OH . TYR D 4 49 ? 27.990 43.420 -14.271 1.00 25.08 ? 48 TYR D OH 1 ATOM 4815 N N . SER D 4 50 ? 24.001 46.382 -9.239 1.00 27.43 ? 49 SER D N 1 ATOM 4816 C CA . SER D 4 50 ? 24.645 46.161 -7.948 1.00 28.81 ? 49 SER D CA 1 ATOM 4817 C C . SER D 4 50 ? 24.315 44.779 -7.424 1.00 29.29 ? 49 SER D C 1 ATOM 4818 O O . SER D 4 50 ? 23.175 44.372 -7.453 1.00 29.42 ? 49 SER D O 1 ATOM 4819 C CB . SER D 4 50 ? 24.234 47.229 -6.941 1.00 29.80 ? 49 SER D CB 1 ATOM 4820 O OG . SER D 4 50 ? 24.712 46.930 -5.639 1.00 31.34 ? 49 SER D OG 1 ATOM 4821 N N . TYR D 4 51 ? 25.341 44.069 -6.963 1.00 30.30 ? 50 TYR D N 1 ATOM 4822 C CA . TYR D 4 51 ? 25.201 42.750 -6.377 1.00 31.19 ? 50 TYR D CA 1 ATOM 4823 C C . TYR D 4 51 ? 25.078 42.792 -4.825 1.00 33.71 ? 50 TYR D C 1 ATOM 4824 O O . TYR D 4 51 ? 25.006 41.757 -4.162 1.00 34.43 ? 50 TYR D O 1 ATOM 4825 C CB . TYR D 4 51 ? 26.400 41.896 -6.798 1.00 31.22 ? 50 TYR D CB 1 ATOM 4826 C CG . TYR D 4 51 ? 26.346 41.383 -8.222 1.00 29.55 ? 50 TYR D CG 1 ATOM 4827 C CD1 . TYR D 4 51 ? 25.245 40.681 -8.686 1.00 27.22 ? 50 TYR D CD1 1 ATOM 4828 C CD2 . TYR D 4 51 ? 27.421 41.555 -9.083 1.00 29.55 ? 50 TYR D CD2 1 ATOM 4829 C CE1 . TYR D 4 51 ? 25.191 40.194 -9.996 1.00 28.21 ? 50 TYR D CE1 1 ATOM 4830 C CE2 . TYR D 4 51 ? 27.390 41.056 -10.387 1.00 29.46 ? 50 TYR D CE2 1 ATOM 4831 C CZ . TYR D 4 51 ? 26.272 40.370 -10.832 1.00 29.19 ? 50 TYR D CZ 1 ATOM 4832 O OH . TYR D 4 51 ? 26.237 39.867 -12.117 1.00 28.70 ? 50 TYR D OH 1 ATOM 4833 N N . GLY D 4 52 ? 25.054 43.991 -4.254 1.00 35.01 ? 51 GLY D N 1 ATOM 4834 C CA . GLY D 4 52 ? 24.882 44.130 -2.813 1.00 38.01 ? 51 GLY D CA 1 ATOM 4835 C C . GLY D 4 52 ? 25.448 45.422 -2.305 1.00 40.07 ? 51 GLY D C 1 ATOM 4836 O O . GLY D 4 52 ? 26.051 46.199 -3.068 1.00 39.50 ? 51 GLY D O 1 ATOM 4837 N N . ALA D 4 53 ? 25.251 45.659 -1.011 1.00 43.29 ? 52 ALA D N 1 ATOM 4838 C CA . ALA D 4 53 ? 25.617 46.920 -0.403 1.00 45.59 ? 52 ALA D CA 1 ATOM 4839 C C . ALA D 4 53 ? 27.091 47.247 -0.618 1.00 47.30 ? 52 ALA D C 1 ATOM 4840 O O . ALA D 4 53 ? 27.978 46.393 -0.423 1.00 48.43 ? 52 ALA D O 1 ATOM 4841 C CB . ALA D 4 53 ? 25.277 46.919 1.087 1.00 49.11 ? 52 ALA D CB 1 ATOM 4842 N N . GLY D 4 54 ? 27.345 48.500 -0.989 1.00 47.71 ? 53 GLY D N 1 ATOM 4843 C CA . GLY D 4 54 ? 28.704 48.989 -1.188 1.00 49.93 ? 53 GLY D CA 1 ATOM 4844 C C . GLY D 4 54 ? 29.359 48.505 -2.473 1.00 48.58 ? 53 GLY D C 1 ATOM 4845 O O . GLY D 4 54 ? 30.549 48.781 -2.673 1.00 51.17 ? 53 GLY D O 1 ATOM 4846 N N . SER D 4 55 ? 28.592 47.801 -3.319 1.00 45.07 ? 54 SER D N 1 ATOM 4847 C CA . SER D 4 55 ? 29.027 47.310 -4.634 1.00 43.11 ? 54 SER D CA 1 ATOM 4848 C C . SER D 4 55 ? 28.206 47.986 -5.709 1.00 40.02 ? 54 SER D C 1 ATOM 4849 O O . SER D 4 55 ? 26.986 48.059 -5.605 1.00 39.13 ? 54 SER D O 1 ATOM 4850 C CB . SER D 4 55 ? 28.833 45.773 -4.764 1.00 42.12 ? 54 SER D CB 1 ATOM 4851 O OG . SER D 4 55 ? 28.249 45.362 -6.048 1.00 43.41 ? 54 SER D OG 1 ATOM 4852 N N . THR D 4 56 ? 28.869 48.477 -6.745 1.00 38.92 ? 55 THR D N 1 ATOM 4853 C CA . THR D 4 56 ? 28.180 48.899 -7.951 1.00 37.13 ? 55 THR D CA 1 ATOM 4854 C C . THR D 4 56 ? 29.014 48.486 -9.138 1.00 36.22 ? 55 THR D C 1 ATOM 4855 O O . THR D 4 56 ? 30.256 48.489 -9.068 1.00 36.95 ? 55 THR D O 1 ATOM 4856 C CB . THR D 4 56 ? 27.951 50.401 -8.029 1.00 37.31 ? 55 THR D CB 1 ATOM 4857 O OG1 . THR D 4 56 ? 29.189 51.061 -7.758 1.00 42.92 ? 55 THR D OG1 1 ATOM 4858 C CG2 . THR D 4 56 ? 26.920 50.840 -6.987 1.00 39.36 ? 55 THR D CG2 1 ATOM 4859 N N . GLU D 4 57 ? 28.311 48.148 -10.224 1.00 32.76 ? 56 GLU D N 1 ATOM 4860 C CA . GLU D 4 57 ? 28.929 47.674 -11.444 1.00 32.26 ? 56 GLU D CA 1 ATOM 4861 C C . GLU D 4 57 ? 28.424 48.469 -12.631 1.00 31.36 ? 56 GLU D C 1 ATOM 4862 O O . GLU D 4 57 ? 27.222 48.743 -12.739 1.00 29.68 ? 56 GLU D O 1 ATOM 4863 C CB . GLU D 4 57 ? 28.571 46.205 -11.657 1.00 31.13 ? 56 GLU D CB 1 ATOM 4864 C CG . GLU D 4 57 ? 29.187 45.268 -10.652 1.00 31.39 ? 56 GLU D CG 1 ATOM 4865 C CD . GLU D 4 57 ? 30.696 45.395 -10.581 1.00 34.73 ? 56 GLU D CD 1 ATOM 4866 O OE1 . GLU D 4 57 ? 31.341 45.795 -11.581 1.00 36.73 ? 56 GLU D OE1 1 ATOM 4867 O OE2 . GLU D 4 57 ? 31.254 45.084 -9.516 1.00 36.88 ? 56 GLU D OE2 1 ATOM 4868 N N . LYS D 4 58 ? 29.339 48.836 -13.520 1.00 32.22 ? 57 LYS D N 1 ATOM 4869 C CA . LYS D 4 58 ? 28.961 49.468 -14.778 1.00 31.99 ? 57 LYS D CA 1 ATOM 4870 C C . LYS D 4 58 ? 28.172 48.495 -15.637 1.00 30.62 ? 57 LYS D C 1 ATOM 4871 O O . LYS D 4 58 ? 28.540 47.306 -15.726 1.00 31.03 ? 57 LYS D O 1 ATOM 4872 C CB . LYS D 4 58 ? 30.192 49.911 -15.534 1.00 33.41 ? 57 LYS D CB 1 ATOM 4873 C CG . LYS D 4 58 ? 30.893 51.044 -14.859 1.00 37.81 ? 57 LYS D CG 1 ATOM 4874 C CD . LYS D 4 58 ? 32.101 51.475 -15.656 1.00 43.69 ? 57 LYS D CD 1 ATOM 4875 C CE . LYS D 4 58 ? 32.481 52.917 -15.309 1.00 47.81 ? 57 LYS D CE 1 ATOM 4876 N NZ . LYS D 4 58 ? 33.847 53.205 -15.865 1.00 53.94 ? 57 LYS D NZ 1 ATOM 4877 N N . GLY D 4 59 ? 27.087 48.997 -16.235 1.00 29.13 ? 58 GLY D N 1 ATOM 4878 C CA . GLY D 4 59 ? 26.292 48.245 -17.216 1.00 28.61 ? 58 GLY D CA 1 ATOM 4879 C C . GLY D 4 59 ? 26.759 48.582 -18.630 1.00 29.79 ? 58 GLY D C 1 ATOM 4880 O O . GLY D 4 59 ? 27.956 48.804 -18.854 1.00 31.05 ? 58 GLY D O 1 ATOM 4881 N N . ASP D 4 60 ? 25.834 48.643 -19.584 1.00 29.18 ? 59 ASP D N 1 ATOM 4882 C CA . ASP D 4 60 ? 26.212 48.877 -20.993 1.00 31.68 ? 59 ASP D CA 1 ATOM 4883 C C . ASP D 4 60 ? 26.415 50.349 -21.303 1.00 31.82 ? 59 ASP D C 1 ATOM 4884 O O . ASP D 4 60 ? 27.241 50.698 -22.130 1.00 33.35 ? 59 ASP D O 1 ATOM 4885 C CB . ASP D 4 60 ? 25.165 48.275 -21.947 1.00 31.90 ? 59 ASP D CB 1 ATOM 4886 C CG . ASP D 4 60 ? 24.982 46.763 -21.733 1.00 34.29 ? 59 ASP D CG 1 ATOM 4887 O OD1 . ASP D 4 60 ? 25.972 46.076 -21.425 1.00 36.82 ? 59 ASP D OD1 1 ATOM 4888 O OD2 . ASP D 4 60 ? 23.848 46.259 -21.870 1.00 36.48 ? 59 ASP D OD2 1 ATOM 4889 N N . ILE D 4 61 ? 25.654 51.217 -20.639 1.00 30.66 ? 60 ILE D N 1 ATOM 4890 C CA . ILE D 4 61 ? 25.742 52.659 -20.913 1.00 30.80 ? 60 ILE D CA 1 ATOM 4891 C C . ILE D 4 61 ? 25.956 53.478 -19.628 1.00 30.49 ? 60 ILE D C 1 ATOM 4892 O O . ILE D 4 61 ? 25.113 54.291 -19.246 1.00 30.17 ? 60 ILE D O 1 ATOM 4893 C CB . ILE D 4 61 ? 24.557 53.164 -21.758 1.00 30.30 ? 60 ILE D CB 1 ATOM 4894 C CG1 . ILE D 4 61 ? 23.225 52.757 -21.130 1.00 28.34 ? 60 ILE D CG1 1 ATOM 4895 C CG2 . ILE D 4 61 ? 24.627 52.597 -23.195 1.00 31.26 ? 60 ILE D CG2 1 ATOM 4896 C CD1 . ILE D 4 61 ? 22.081 53.690 -21.521 1.00 24.24 ? 60 ILE D CD1 1 ATOM 4897 N N . PRO D 4 62 ? 27.097 53.264 -18.963 1.00 30.81 ? 61 PRO D N 1 ATOM 4898 C CA . PRO D 4 62 ? 27.352 53.894 -17.662 1.00 30.80 ? 61 PRO D CA 1 ATOM 4899 C C . PRO D 4 62 ? 27.702 55.375 -17.751 1.00 32.18 ? 61 PRO D C 1 ATOM 4900 O O . PRO D 4 62 ? 27.483 56.102 -16.787 1.00 32.07 ? 61 PRO D O 1 ATOM 4901 C CB . PRO D 4 62 ? 28.560 53.106 -17.122 1.00 31.96 ? 61 PRO D CB 1 ATOM 4902 C CG . PRO D 4 62 ? 29.267 52.580 -18.340 1.00 31.94 ? 61 PRO D CG 1 ATOM 4903 C CD . PRO D 4 62 ? 28.181 52.339 -19.357 1.00 31.90 ? 61 PRO D CD 1 ATOM 4904 N N . ASP D 4 63 ? 28.216 55.829 -18.896 1.00 33.98 ? 62 ASP D N 1 ATOM 4905 C CA . ASP D 4 63 ? 28.789 57.185 -18.991 1.00 35.94 ? 62 ASP D CA 1 ATOM 4906 C C . ASP D 4 63 ? 27.794 58.296 -18.615 1.00 34.79 ? 62 ASP D C 1 ATOM 4907 O O . ASP D 4 63 ? 26.678 58.330 -19.106 1.00 32.67 ? 62 ASP D O 1 ATOM 4908 C CB . ASP D 4 63 ? 29.379 57.446 -20.382 1.00 38.20 ? 62 ASP D CB 1 ATOM 4909 C CG . ASP D 4 63 ? 30.600 56.585 -20.682 1.00 43.05 ? 62 ASP D CG 1 ATOM 4910 O OD1 . ASP D 4 63 ? 31.092 56.642 -21.834 1.00 47.60 ? 62 ASP D OD1 1 ATOM 4911 O OD2 . ASP D 4 63 ? 31.076 55.843 -19.781 1.00 47.38 ? 62 ASP D OD2 1 ATOM 4912 N N . GLY D 4 64 ? 28.229 59.203 -17.736 1.00 36.17 ? 63 GLY D N 1 ATOM 4913 C CA . GLY D 4 64 ? 27.402 60.331 -17.267 1.00 35.16 ? 63 GLY D CA 1 ATOM 4914 C C . GLY D 4 64 ? 26.581 59.998 -16.032 1.00 33.53 ? 63 GLY D C 1 ATOM 4915 O O . GLY D 4 64 ? 25.816 60.826 -15.540 1.00 33.41 ? 63 GLY D O 1 ATOM 4916 N N . TYR D 4 65 ? 26.732 58.778 -15.532 1.00 32.94 ? 64 TYR D N 1 ATOM 4917 C CA . TYR D 4 65 ? 25.991 58.319 -14.356 1.00 32.06 ? 64 TYR D CA 1 ATOM 4918 C C . TYR D 4 65 ? 26.957 57.694 -13.389 1.00 33.91 ? 64 TYR D C 1 ATOM 4919 O O . TYR D 4 65 ? 27.865 56.943 -13.793 1.00 33.93 ? 64 TYR D O 1 ATOM 4920 C CB . TYR D 4 65 ? 24.953 57.236 -14.731 1.00 29.94 ? 64 TYR D CB 1 ATOM 4921 C CG . TYR D 4 65 ? 23.965 57.642 -15.791 1.00 27.28 ? 64 TYR D CG 1 ATOM 4922 C CD1 . TYR D 4 65 ? 22.804 58.365 -15.456 1.00 29.33 ? 64 TYR D CD1 1 ATOM 4923 C CD2 . TYR D 4 65 ? 24.168 57.293 -17.125 1.00 27.45 ? 64 TYR D CD2 1 ATOM 4924 C CE1 . TYR D 4 65 ? 21.875 58.745 -16.423 1.00 27.70 ? 64 TYR D CE1 1 ATOM 4925 C CE2 . TYR D 4 65 ? 23.232 57.654 -18.121 1.00 26.97 ? 64 TYR D CE2 1 ATOM 4926 C CZ . TYR D 4 65 ? 22.101 58.384 -17.759 1.00 27.73 ? 64 TYR D CZ 1 ATOM 4927 O OH . TYR D 4 65 ? 21.198 58.744 -18.709 1.00 27.72 ? 64 TYR D OH 1 ATOM 4928 N N . LYS D 4 66 ? 26.765 58.000 -12.108 1.00 35.41 ? 65 LYS D N 1 ATOM 4929 C CA . LYS D 4 66 ? 27.400 57.228 -11.035 1.00 37.03 ? 65 LYS D CA 1 ATOM 4930 C C . LYS D 4 66 ? 26.301 56.428 -10.312 1.00 35.99 ? 65 LYS D C 1 ATOM 4931 O O . LYS D 4 66 ? 25.167 56.860 -10.275 1.00 36.07 ? 65 LYS D O 1 ATOM 4932 C CB . LYS D 4 66 ? 28.168 58.135 -10.077 1.00 38.63 ? 65 LYS D CB 1 ATOM 4933 N N . ALA D 4 67 ? 26.617 55.257 -9.773 1.00 35.85 ? 66 ALA D N 1 ATOM 4934 C CA . ALA D 4 67 ? 25.624 54.528 -8.984 1.00 35.02 ? 66 ALA D CA 1 ATOM 4935 C C . ALA D 4 67 ? 26.065 54.500 -7.521 1.00 36.71 ? 66 ALA D C 1 ATOM 4936 O O . ALA D 4 67 ? 27.238 54.698 -7.227 1.00 39.11 ? 66 ALA D O 1 ATOM 4937 C CB . ALA D 4 67 ? 25.422 53.116 -9.526 1.00 33.42 ? 66 ALA D CB 1 ATOM 4938 N N . SER D 4 68 ? 25.126 54.307 -6.608 1.00 35.88 ? 67 SER D N 1 ATOM 4939 C CA . SER D 4 68 ? 25.455 54.206 -5.201 1.00 37.68 ? 67 SER D CA 1 ATOM 4940 C C . SER D 4 68 ? 24.589 53.131 -4.556 1.00 36.88 ? 67 SER D C 1 ATOM 4941 O O . SER D 4 68 ? 23.374 53.130 -4.715 1.00 36.11 ? 67 SER D O 1 ATOM 4942 C CB . SER D 4 68 ? 25.261 55.552 -4.510 1.00 38.93 ? 67 SER D CB 1 ATOM 4943 O OG . SER D 4 68 ? 25.427 55.438 -3.108 1.00 43.22 ? 67 SER D OG 1 ATOM 4944 N N . ARG D 4 69 ? 25.217 52.204 -3.851 1.00 37.59 ? 68 ARG D N 1 ATOM 4945 C CA . ARG D 4 69 ? 24.460 51.199 -3.128 1.00 38.04 ? 68 ARG D CA 1 ATOM 4946 C C . ARG D 4 69 ? 24.802 51.264 -1.638 1.00 40.91 ? 68 ARG D C 1 ATOM 4947 O O . ARG D 4 69 ? 25.552 50.417 -1.143 1.00 42.57 ? 68 ARG D O 1 ATOM 4948 C CB . ARG D 4 69 ? 24.710 49.798 -3.718 1.00 36.63 ? 68 ARG D CB 1 ATOM 4949 C CG . ARG D 4 69 ? 23.823 48.702 -3.159 1.00 36.71 ? 68 ARG D CG 1 ATOM 4950 C CD . ARG D 4 69 ? 22.441 48.667 -3.808 1.00 35.49 ? 68 ARG D CD 1 ATOM 4951 N NE . ARG D 4 69 ? 21.610 47.633 -3.191 1.00 36.00 ? 68 ARG D NE 1 ATOM 4952 C CZ . ARG D 4 69 ? 21.601 46.351 -3.546 1.00 35.35 ? 68 ARG D CZ 1 ATOM 4953 N NH1 . ARG D 4 69 ? 22.378 45.924 -4.530 1.00 34.92 ? 68 ARG D NH1 1 ATOM 4954 N NH2 . ARG D 4 69 ? 20.806 45.488 -2.924 1.00 34.20 ? 68 ARG D NH2 1 ATOM 4955 N N . PRO D 4 70 ? 24.255 52.272 -0.914 1.00 42.07 ? 69 PRO D N 1 ATOM 4956 C CA . PRO D 4 70 ? 24.609 52.446 0.506 1.00 45.67 ? 69 PRO D CA 1 ATOM 4957 C C . PRO D 4 70 ? 24.082 51.349 1.441 1.00 47.09 ? 69 PRO D C 1 ATOM 4958 O O . PRO D 4 70 ? 24.593 51.195 2.547 1.00 50.62 ? 69 PRO D O 1 ATOM 4959 C CB . PRO D 4 70 ? 23.967 53.796 0.868 1.00 46.67 ? 69 PRO D CB 1 ATOM 4960 C CG . PRO D 4 70 ? 22.826 53.938 -0.044 1.00 43.85 ? 69 PRO D CG 1 ATOM 4961 C CD . PRO D 4 70 ? 23.263 53.272 -1.352 1.00 40.97 ? 69 PRO D CD 1 ATOM 4962 N N . SER D 4 71 ? 23.082 50.596 0.989 1.00 45.29 ? 70 SER D N 1 ATOM 4963 C CA . SER D 4 71 ? 22.422 49.579 1.798 1.00 46.53 ? 70 SER D CA 1 ATOM 4964 C C . SER D 4 71 ? 21.754 48.574 0.879 1.00 43.74 ? 70 SER D C 1 ATOM 4965 O O . SER D 4 71 ? 21.622 48.839 -0.341 1.00 41.49 ? 70 SER D O 1 ATOM 4966 C CB . SER D 4 71 ? 21.352 50.235 2.670 1.00 48.54 ? 70 SER D CB 1 ATOM 4967 O OG . SER D 4 71 ? 20.362 50.811 1.832 1.00 46.83 ? 70 SER D OG 1 ATOM 4968 N N . GLN D 4 72 ? 21.326 47.444 1.458 1.00 44.47 ? 71 GLN D N 1 ATOM 4969 C CA . GLN D 4 72 ? 20.536 46.415 0.766 1.00 43.26 ? 71 GLN D CA 1 ATOM 4970 C C . GLN D 4 72 ? 19.258 47.003 0.159 1.00 42.15 ? 71 GLN D C 1 ATOM 4971 O O . GLN D 4 72 ? 18.937 46.708 -0.988 1.00 39.78 ? 71 GLN D O 1 ATOM 4972 C CB . GLN D 4 72 ? 20.201 45.237 1.702 1.00 45.82 ? 71 GLN D CB 1 ATOM 4973 C CG . GLN D 4 72 ? 19.494 44.021 1.029 1.00 45.52 ? 71 GLN D CG 1 ATOM 4974 C CD . GLN D 4 72 ? 20.455 43.073 0.280 1.00 45.71 ? 71 GLN D CD 1 ATOM 4975 O OE1 . GLN D 4 72 ? 21.475 43.505 -0.261 1.00 43.66 ? 71 GLN D OE1 1 ATOM 4976 N NE2 . GLN D 4 72 ? 20.118 41.773 0.252 1.00 42.09 ? 71 GLN D NE2 1 ATOM 4977 N N A GLU D 4 73 ? 18.547 47.845 0.910 0.50 43.95 ? 72 GLU D N 1 ATOM 4978 N N B GLU D 4 73 ? 18.585 47.857 0.935 0.50 44.30 ? 72 GLU D N 1 ATOM 4979 C CA A GLU D 4 73 ? 17.294 48.435 0.416 0.50 43.26 ? 72 GLU D CA 1 ATOM 4980 C CA B GLU D 4 73 ? 17.327 48.513 0.562 0.50 44.17 ? 72 GLU D CA 1 ATOM 4981 C C A GLU D 4 73 ? 17.448 49.434 -0.744 0.50 40.91 ? 72 GLU D C 1 ATOM 4982 C C B GLU D 4 73 ? 17.429 49.457 -0.656 0.50 41.48 ? 72 GLU D C 1 ATOM 4983 O O A GLU D 4 73 ? 16.621 49.456 -1.655 0.50 39.24 ? 72 GLU D O 1 ATOM 4984 O O B GLU D 4 73 ? 16.557 49.454 -1.526 0.50 39.89 ? 72 GLU D O 1 ATOM 4985 C CB A GLU D 4 73 ? 16.515 49.087 1.554 0.50 46.12 ? 72 GLU D CB 1 ATOM 4986 C CB B GLU D 4 73 ? 16.817 49.308 1.765 0.50 47.43 ? 72 GLU D CB 1 ATOM 4987 C CG A GLU D 4 73 ? 16.145 48.130 2.675 0.50 49.18 ? 72 GLU D CG 1 ATOM 4988 C CG B GLU D 4 73 ? 15.335 49.167 2.066 0.50 50.76 ? 72 GLU D CG 1 ATOM 4989 C CD A GLU D 4 73 ? 17.361 47.580 3.392 0.50 50.66 ? 72 GLU D CD 1 ATOM 4990 C CD B GLU D 4 73 ? 14.890 50.036 3.240 0.50 55.74 ? 72 GLU D CD 1 ATOM 4991 O OE1 A GLU D 4 73 ? 18.232 48.388 3.784 0.50 51.00 ? 72 GLU D OE1 1 ATOM 4992 O OE1 B GLU D 4 73 ? 15.729 50.347 4.117 0.50 59.23 ? 72 GLU D OE1 1 ATOM 4993 O OE2 A GLU D 4 73 ? 17.440 46.343 3.570 0.50 50.93 ? 72 GLU D OE2 1 ATOM 4994 O OE2 B GLU D 4 73 ? 13.698 50.407 3.292 0.50 57.00 ? 72 GLU D OE2 1 ATOM 4995 N N . ASN D 4 74 ? 18.499 50.250 -0.706 1.00 40.97 ? 73 ASN D N 1 ATOM 4996 C CA . ASN D 4 74 ? 18.568 51.441 -1.555 1.00 39.23 ? 73 ASN D CA 1 ATOM 4997 C C . ASN D 4 74 ? 19.657 51.448 -2.629 1.00 36.84 ? 73 ASN D C 1 ATOM 4998 O O . ASN D 4 74 ? 20.823 51.173 -2.339 1.00 37.70 ? 73 ASN D O 1 ATOM 4999 C CB . ASN D 4 74 ? 18.702 52.688 -0.670 1.00 40.71 ? 73 ASN D CB 1 ATOM 5000 C CG . ASN D 4 74 ? 17.461 52.923 0.236 1.00 45.72 ? 73 ASN D CG 1 ATOM 5001 O OD1 . ASN D 4 74 ? 16.311 52.890 -0.240 1.00 45.15 ? 73 ASN D OD1 1 ATOM 5002 N ND2 . ASN D 4 74 ? 17.699 53.186 1.550 1.00 46.50 ? 73 ASN D ND2 1 ATOM 5003 N N . PHE D 4 75 ? 19.269 51.814 -3.849 1.00 34.26 ? 74 PHE D N 1 ATOM 5004 C CA . PHE D 4 75 ? 20.174 51.912 -4.993 1.00 33.05 ? 74 PHE D CA 1 ATOM 5005 C C . PHE D 4 75 ? 19.882 53.238 -5.697 1.00 33.23 ? 74 PHE D C 1 ATOM 5006 O O . PHE D 4 75 ? 18.770 53.443 -6.209 1.00 32.65 ? 74 PHE D O 1 ATOM 5007 C CB . PHE D 4 75 ? 19.911 50.722 -5.949 1.00 31.57 ? 74 PHE D CB 1 ATOM 5008 C CG . PHE D 4 75 ? 20.966 50.508 -7.029 1.00 30.18 ? 74 PHE D CG 1 ATOM 5009 C CD1 . PHE D 4 75 ? 22.301 50.854 -6.825 1.00 29.91 ? 74 PHE D CD1 1 ATOM 5010 C CD2 . PHE D 4 75 ? 20.604 49.924 -8.247 1.00 28.79 ? 74 PHE D CD2 1 ATOM 5011 C CE1 . PHE D 4 75 ? 23.261 50.640 -7.822 1.00 31.25 ? 74 PHE D CE1 1 ATOM 5012 C CE2 . PHE D 4 75 ? 21.550 49.695 -9.257 1.00 29.42 ? 74 PHE D CE2 1 ATOM 5013 C CZ . PHE D 4 75 ? 22.886 50.062 -9.052 1.00 31.04 ? 74 PHE D CZ 1 ATOM 5014 N N . SER D 4 76 ? 20.866 54.147 -5.697 1.00 33.50 ? 75 SER D N 1 ATOM 5015 C CA . SER D 4 76 ? 20.709 55.458 -6.301 1.00 33.84 ? 75 SER D CA 1 ATOM 5016 C C . SER D 4 76 ? 21.419 55.596 -7.627 1.00 32.90 ? 75 SER D C 1 ATOM 5017 O O . SER D 4 76 ? 22.482 55.021 -7.841 1.00 32.25 ? 75 SER D O 1 ATOM 5018 C CB . SER D 4 76 ? 21.233 56.536 -5.378 1.00 35.91 ? 75 SER D CB 1 ATOM 5019 O OG . SER D 4 76 ? 20.503 56.489 -4.186 1.00 40.92 ? 75 SER D OG 1 ATOM 5020 N N . LEU D 4 77 ? 20.819 56.386 -8.510 1.00 32.77 ? 76 LEU D N 1 ATOM 5021 C CA . LEU D 4 77 ? 21.458 56.751 -9.771 1.00 32.72 ? 76 LEU D CA 1 ATOM 5022 C C . LEU D 4 77 ? 21.713 58.243 -9.702 1.00 33.50 ? 76 LEU D C 1 ATOM 5023 O O . LEU D 4 77 ? 20.782 59.037 -9.524 1.00 33.50 ? 76 LEU D O 1 ATOM 5024 C CB . LEU D 4 77 ? 20.584 56.372 -10.968 1.00 30.66 ? 76 LEU D CB 1 ATOM 5025 C CG . LEU D 4 77 ? 21.268 56.387 -12.336 1.00 31.35 ? 76 LEU D CG 1 ATOM 5026 C CD1 . LEU D 4 77 ? 22.284 55.249 -12.471 1.00 29.64 ? 76 LEU D CD1 1 ATOM 5027 C CD2 . LEU D 4 77 ? 20.207 56.258 -13.423 1.00 28.87 ? 76 LEU D CD2 1 ATOM 5028 N N . ILE D 4 78 ? 22.984 58.612 -9.810 1.00 34.15 ? 77 ILE D N 1 ATOM 5029 C CA . ILE D 4 78 ? 23.385 59.983 -9.565 1.00 35.74 ? 77 ILE D CA 1 ATOM 5030 C C . ILE D 4 78 ? 23.933 60.566 -10.855 1.00 35.25 ? 77 ILE D C 1 ATOM 5031 O O . ILE D 4 78 ? 24.827 59.995 -11.486 1.00 34.84 ? 77 ILE D O 1 ATOM 5032 C CB . ILE D 4 78 ? 24.427 60.063 -8.415 1.00 38.59 ? 77 ILE D CB 1 ATOM 5033 C CG1 . ILE D 4 78 ? 23.862 59.431 -7.132 1.00 39.99 ? 77 ILE D CG1 1 ATOM 5034 C CG2 . ILE D 4 78 ? 24.807 61.502 -8.127 1.00 41.06 ? 77 ILE D CG2 1 ATOM 5035 C CD1 . ILE D 4 78 ? 24.915 58.921 -6.157 1.00 45.55 ? 77 ILE D CD1 1 ATOM 5036 N N . LEU D 4 79 ? 23.332 61.673 -11.271 1.00 34.81 ? 78 LEU D N 1 ATOM 5037 C CA . LEU D 4 79 ? 23.759 62.419 -12.440 1.00 34.88 ? 78 LEU D CA 1 ATOM 5038 C C . LEU D 4 79 ? 24.409 63.689 -11.895 1.00 37.05 ? 78 LEU D C 1 ATOM 5039 O O . LEU D 4 79 ? 23.723 64.601 -11.437 1.00 36.91 ? 78 LEU D O 1 ATOM 5040 C CB . LEU D 4 79 ? 22.558 62.764 -13.316 1.00 32.90 ? 78 LEU D CB 1 ATOM 5041 C CG . LEU D 4 79 ? 21.798 61.658 -14.059 1.00 33.36 ? 78 LEU D CG 1 ATOM 5042 C CD1 . LEU D 4 79 ? 21.085 60.657 -13.109 1.00 30.50 ? 78 LEU D CD1 1 ATOM 5043 C CD2 . LEU D 4 79 ? 20.784 62.266 -15.029 1.00 32.26 ? 78 LEU D CD2 1 ATOM 5044 N N . GLU D 4 80 ? 25.734 63.720 -11.904 1.00 39.06 ? 79 GLU D N 1 ATOM 5045 C CA . GLU D 4 80 ? 26.480 64.820 -11.290 1.00 42.54 ? 79 GLU D CA 1 ATOM 5046 C C . GLU D 4 80 ? 26.367 66.086 -12.118 1.00 43.06 ? 79 GLU D C 1 ATOM 5047 O O . GLU D 4 80 ? 26.283 67.170 -11.570 1.00 44.41 ? 79 GLU D O 1 ATOM 5048 C CB . GLU D 4 80 ? 27.947 64.452 -11.085 1.00 44.34 ? 79 GLU D CB 1 ATOM 5049 C CG . GLU D 4 80 ? 28.170 63.168 -10.259 1.00 47.47 ? 79 GLU D CG 1 ATOM 5050 C CD . GLU D 4 80 ? 28.246 63.406 -8.747 1.00 54.82 ? 79 GLU D CD 1 ATOM 5051 O OE1 . GLU D 4 80 ? 27.791 64.474 -8.255 1.00 58.33 ? 79 GLU D OE1 1 ATOM 5052 O OE2 . GLU D 4 80 ? 28.772 62.513 -8.041 1.00 56.61 ? 79 GLU D OE2 1 ATOM 5053 N N . LEU D 4 81 ? 26.368 65.938 -13.439 1.00 42.49 ? 80 LEU D N 1 ATOM 5054 C CA . LEU D 4 81 ? 26.274 67.082 -14.341 1.00 43.68 ? 80 LEU D CA 1 ATOM 5055 C C . LEU D 4 81 ? 25.284 66.722 -15.432 1.00 41.58 ? 80 LEU D C 1 ATOM 5056 O O . LEU D 4 81 ? 25.648 66.181 -16.485 1.00 41.78 ? 80 LEU D O 1 ATOM 5057 C CB . LEU D 4 81 ? 27.649 67.476 -14.919 1.00 46.24 ? 80 LEU D CB 1 ATOM 5058 C CG . LEU D 4 81 ? 28.750 67.941 -13.957 1.00 49.98 ? 80 LEU D CG 1 ATOM 5059 C CD1 . LEU D 4 81 ? 30.148 67.715 -14.557 1.00 54.41 ? 80 LEU D CD1 1 ATOM 5060 C CD2 . LEU D 4 81 ? 28.591 69.401 -13.511 1.00 51.18 ? 80 LEU D CD2 1 ATOM 5061 N N . ALA D 4 82 ? 24.020 67.014 -15.150 1.00 39.85 ? 81 ALA D N 1 ATOM 5062 C CA . ALA D 4 82 ? 22.928 66.584 -15.982 1.00 37.87 ? 81 ALA D CA 1 ATOM 5063 C C . ALA D 4 82 ? 23.051 67.208 -17.358 1.00 38.46 ? 81 ALA D C 1 ATOM 5064 O O . ALA D 4 82 ? 23.487 68.352 -17.498 1.00 40.74 ? 81 ALA D O 1 ATOM 5065 C CB . ALA D 4 82 ? 21.605 66.955 -15.331 1.00 37.35 ? 81 ALA D CB 1 ATOM 5066 N N . THR D 4 83 ? 22.710 66.440 -18.378 1.00 37.34 ? 82 THR D N 1 ATOM 5067 C CA . THR D 4 83 ? 22.688 66.952 -19.754 1.00 37.59 ? 82 THR D CA 1 ATOM 5068 C C . THR D 4 83 ? 21.324 66.606 -20.350 1.00 35.34 ? 82 THR D C 1 ATOM 5069 O O . THR D 4 83 ? 20.686 65.651 -19.911 1.00 33.59 ? 82 THR D O 1 ATOM 5070 C CB . THR D 4 83 ? 23.782 66.312 -20.639 1.00 38.46 ? 82 THR D CB 1 ATOM 5071 O OG1 . THR D 4 83 ? 23.571 64.901 -20.674 1.00 37.05 ? 82 THR D OG1 1 ATOM 5072 C CG2 . THR D 4 83 ? 25.186 66.608 -20.124 1.00 39.85 ? 82 THR D CG2 1 ATOM 5073 N N . PRO D 4 84 ? 20.866 67.391 -21.338 1.00 35.95 ? 83 PRO D N 1 ATOM 5074 C CA . PRO D 4 84 ? 19.621 67.101 -22.050 1.00 34.98 ? 83 PRO D CA 1 ATOM 5075 C C . PRO D 4 84 ? 19.548 65.670 -22.576 1.00 34.51 ? 83 PRO D C 1 ATOM 5076 O O . PRO D 4 84 ? 18.452 65.116 -22.698 1.00 34.45 ? 83 PRO D O 1 ATOM 5077 C CB . PRO D 4 84 ? 19.674 68.077 -23.220 1.00 36.93 ? 83 PRO D CB 1 ATOM 5078 C CG . PRO D 4 84 ? 20.432 69.245 -22.660 1.00 37.38 ? 83 PRO D CG 1 ATOM 5079 C CD . PRO D 4 84 ? 21.498 68.634 -21.831 1.00 37.52 ? 83 PRO D CD 1 ATOM 5080 N N . SER D 4 85 ? 20.694 65.072 -22.885 1.00 34.77 ? 84 SER D N 1 ATOM 5081 C CA . SER D 4 85 ? 20.729 63.707 -23.395 1.00 34.58 ? 84 SER D CA 1 ATOM 5082 C C . SER D 4 85 ? 20.300 62.701 -22.336 1.00 32.81 ? 84 SER D C 1 ATOM 5083 O O . SER D 4 85 ? 20.061 61.532 -22.638 1.00 32.25 ? 84 SER D O 1 ATOM 5084 C CB . SER D 4 85 ? 22.124 63.361 -23.926 1.00 36.16 ? 84 SER D CB 1 ATOM 5085 O OG . SER D 4 85 ? 23.012 63.035 -22.872 1.00 35.18 ? 84 SER D OG 1 ATOM 5086 N N . GLN D 4 86 ? 20.171 63.162 -21.095 1.00 32.52 ? 85 GLN D N 1 ATOM 5087 C CA . GLN D 4 86 ? 19.701 62.288 -20.019 1.00 31.67 ? 85 GLN D CA 1 ATOM 5088 C C . GLN D 4 86 ? 18.198 62.393 -19.781 1.00 31.05 ? 85 GLN D C 1 ATOM 5089 O O . GLN D 4 86 ? 17.658 61.702 -18.903 1.00 30.07 ? 85 GLN D O 1 ATOM 5090 C CB . GLN D 4 86 ? 20.513 62.509 -18.745 1.00 31.39 ? 85 GLN D CB 1 ATOM 5091 C CG . GLN D 4 86 ? 21.990 62.152 -18.951 1.00 33.93 ? 85 GLN D CG 1 ATOM 5092 C CD . GLN D 4 86 ? 22.856 62.605 -17.795 1.00 36.44 ? 85 GLN D CD 1 ATOM 5093 O OE1 . GLN D 4 86 ? 22.854 63.783 -17.427 1.00 37.02 ? 85 GLN D OE1 1 ATOM 5094 N NE2 . GLN D 4 86 ? 23.600 61.668 -17.208 1.00 37.08 ? 85 GLN D NE2 1 ATOM 5095 N N . THR D 4 87 ? 17.523 63.227 -20.582 1.00 31.32 ? 86 THR D N 1 ATOM 5096 C CA . THR D 4 87 ? 16.057 63.176 -20.662 1.00 31.44 ? 86 THR D CA 1 ATOM 5097 C C . THR D 4 87 ? 15.617 61.760 -21.045 1.00 31.14 ? 86 THR D C 1 ATOM 5098 O O . THR D 4 87 ? 16.022 61.259 -22.070 1.00 32.40 ? 86 THR D O 1 ATOM 5099 C CB . THR D 4 87 ? 15.511 64.230 -21.655 1.00 32.59 ? 86 THR D CB 1 ATOM 5100 O OG1 . THR D 4 87 ? 15.846 65.526 -21.155 1.00 33.30 ? 86 THR D OG1 1 ATOM 5101 C CG2 . THR D 4 87 ? 13.995 64.146 -21.799 1.00 31.44 ? 86 THR D CG2 1 ATOM 5102 N N . SER D 4 88 ? 14.790 61.118 -20.219 1.00 31.17 ? 87 SER D N 1 ATOM 5103 C CA . SER D 4 88 ? 14.479 59.695 -20.406 1.00 30.49 ? 87 SER D CA 1 ATOM 5104 C C . SER D 4 88 ? 13.539 59.192 -19.314 1.00 30.29 ? 87 SER D C 1 ATOM 5105 O O . SER D 4 88 ? 13.218 59.912 -18.372 1.00 30.92 ? 87 SER D O 1 ATOM 5106 C CB . SER D 4 88 ? 15.784 58.874 -20.363 1.00 29.74 ? 87 SER D CB 1 ATOM 5107 O OG . SER D 4 88 ? 15.617 57.572 -20.888 1.00 29.80 ? 87 SER D OG 1 ATOM 5108 N N . VAL D 4 89 ? 13.083 57.955 -19.456 1.00 30.15 ? 88 VAL D N 1 ATOM 5109 C CA . VAL D 4 89 ? 12.416 57.265 -18.369 1.00 29.37 ? 88 VAL D CA 1 ATOM 5110 C C . VAL D 4 89 ? 13.383 56.209 -17.771 1.00 28.40 ? 88 VAL D C 1 ATOM 5111 O O . VAL D 4 89 ? 13.956 55.389 -18.500 1.00 27.50 ? 88 VAL D O 1 ATOM 5112 C CB . VAL D 4 89 ? 11.077 56.649 -18.828 1.00 30.30 ? 88 VAL D CB 1 ATOM 5113 C CG1 . VAL D 4 89 ? 10.335 56.082 -17.644 1.00 30.30 ? 88 VAL D CG1 1 ATOM 5114 C CG2 . VAL D 4 89 ? 10.203 57.730 -19.528 1.00 30.91 ? 88 VAL D CG2 1 ATOM 5115 N N . TYR D 4 90 ? 13.560 56.260 -16.451 1.00 27.52 ? 89 TYR D N 1 ATOM 5116 C CA . TYR D 4 90 ? 14.501 55.410 -15.756 1.00 26.98 ? 89 TYR D CA 1 ATOM 5117 C C . TYR D 4 90 ? 13.785 54.345 -14.951 1.00 27.83 ? 89 TYR D C 1 ATOM 5118 O O . TYR D 4 90 ? 12.843 54.651 -14.218 1.00 29.06 ? 89 TYR D O 1 ATOM 5119 C CB . TYR D 4 90 ? 15.385 56.252 -14.841 1.00 26.32 ? 89 TYR D CB 1 ATOM 5120 C CG . TYR D 4 90 ? 16.281 57.187 -15.611 1.00 27.33 ? 89 TYR D CG 1 ATOM 5121 C CD1 . TYR D 4 90 ? 15.809 58.427 -16.068 1.00 26.81 ? 89 TYR D CD1 1 ATOM 5122 C CD2 . TYR D 4 90 ? 17.608 56.842 -15.878 1.00 25.85 ? 89 TYR D CD2 1 ATOM 5123 C CE1 . TYR D 4 90 ? 16.641 59.289 -16.794 1.00 27.81 ? 89 TYR D CE1 1 ATOM 5124 C CE2 . TYR D 4 90 ? 18.448 57.690 -16.582 1.00 27.58 ? 89 TYR D CE2 1 ATOM 5125 C CZ . TYR D 4 90 ? 17.959 58.914 -17.048 1.00 28.91 ? 89 TYR D CZ 1 ATOM 5126 O OH . TYR D 4 90 ? 18.795 59.748 -17.745 1.00 27.64 ? 89 TYR D OH 1 ATOM 5127 N N . PHE D 4 91 ? 14.214 53.095 -15.102 1.00 26.79 ? 90 PHE D N 1 ATOM 5128 C CA . PHE D 4 91 ? 13.589 52.013 -14.390 1.00 27.71 ? 90 PHE D CA 1 ATOM 5129 C C . PHE D 4 91 ? 14.602 51.336 -13.537 1.00 27.69 ? 90 PHE D C 1 ATOM 5130 O O . PHE D 4 91 ? 15.678 51.002 -13.994 1.00 28.36 ? 90 PHE D O 1 ATOM 5131 C CB . PHE D 4 91 ? 12.974 50.962 -15.329 1.00 27.55 ? 90 PHE D CB 1 ATOM 5132 C CG . PHE D 4 91 ? 11.733 51.416 -15.984 1.00 28.81 ? 90 PHE D CG 1 ATOM 5133 C CD1 . PHE D 4 91 ? 10.506 51.273 -15.346 1.00 29.27 ? 90 PHE D CD1 1 ATOM 5134 C CD2 . PHE D 4 91 ? 11.780 52.006 -17.249 1.00 27.51 ? 90 PHE D CD2 1 ATOM 5135 C CE1 . PHE D 4 91 ? 9.326 51.720 -15.946 1.00 30.22 ? 90 PHE D CE1 1 ATOM 5136 C CE2 . PHE D 4 91 ? 10.605 52.436 -17.862 1.00 29.44 ? 90 PHE D CE2 1 ATOM 5137 C CZ . PHE D 4 91 ? 9.377 52.308 -17.204 1.00 30.00 ? 90 PHE D CZ 1 ATOM 5138 N N . CYS D 4 92 ? 14.229 51.120 -12.295 1.00 28.48 ? 91 CYS D N 1 ATOM 5139 C CA . CYS D 4 92 ? 15.028 50.386 -11.365 1.00 29.11 ? 91 CYS D CA 1 ATOM 5140 C C . CYS D 4 92 ? 14.403 48.997 -11.303 1.00 28.50 ? 91 CYS D C 1 ATOM 5141 O O . CYS D 4 92 ? 13.182 48.853 -11.445 1.00 28.10 ? 91 CYS D O 1 ATOM 5142 C CB . CYS D 4 92 ? 14.886 51.030 -9.985 1.00 30.53 ? 91 CYS D CB 1 ATOM 5143 S SG . CYS D 4 92 ? 15.608 50.007 -8.698 1.00 39.38 ? 91 CYS D SG 1 ATOM 5144 N N . ALA D 4 93 ? 15.224 47.983 -11.061 1.00 27.62 ? 92 ALA D N 1 ATOM 5145 C CA . ALA D 4 93 ? 14.694 46.644 -10.835 1.00 28.67 ? 92 ALA D CA 1 ATOM 5146 C C . ALA D 4 93 ? 15.532 45.977 -9.766 1.00 29.37 ? 92 ALA D C 1 ATOM 5147 O O . ALA D 4 93 ? 16.676 46.378 -9.537 1.00 29.77 ? 92 ALA D O 1 ATOM 5148 C CB . ALA D 4 93 ? 14.722 45.825 -12.128 1.00 26.67 ? 92 ALA D CB 1 ATOM 5149 N N . SER D 4 94 ? 14.970 44.967 -9.116 1.00 30.08 ? 93 SER D N 1 ATOM 5150 C CA . SER D 4 94 ? 15.730 44.187 -8.159 1.00 30.65 ? 93 SER D CA 1 ATOM 5151 C C . SER D 4 94 ? 15.480 42.694 -8.368 1.00 31.31 ? 93 SER D C 1 ATOM 5152 O O . SER D 4 94 ? 14.518 42.318 -9.049 1.00 31.78 ? 93 SER D O 1 ATOM 5153 C CB . SER D 4 94 ? 15.384 44.597 -6.740 1.00 31.86 ? 93 SER D CB 1 ATOM 5154 O OG . SER D 4 94 ? 14.264 43.881 -6.298 1.00 33.00 ? 93 SER D OG 1 ATOM 5155 N N . GLY D 4 95 ? 16.357 41.850 -7.814 1.00 31.11 ? 94 GLY D N 1 ATOM 5156 C CA . GLY D 4 95 ? 16.137 40.399 -7.849 1.00 31.42 ? 94 GLY D CA 1 ATOM 5157 C C . GLY D 4 95 ? 16.988 39.635 -6.856 1.00 31.96 ? 94 GLY D C 1 ATOM 5158 O O . GLY D 4 95 ? 17.918 40.187 -6.269 1.00 32.11 ? 94 GLY D O 1 ATOM 5159 N N . ASP D 4 96 ? 16.690 38.357 -6.664 1.00 32.70 ? 95 ASP D N 1 ATOM 5160 C CA . ASP D 4 96 ? 17.597 37.523 -5.885 1.00 33.20 ? 95 ASP D CA 1 ATOM 5161 C C . ASP D 4 96 ? 18.480 36.717 -6.828 1.00 32.32 ? 95 ASP D C 1 ATOM 5162 O O . ASP D 4 96 ? 18.850 37.219 -7.888 1.00 29.43 ? 95 ASP D O 1 ATOM 5163 C CB . ASP D 4 96 ? 16.852 36.658 -4.854 1.00 35.94 ? 95 ASP D CB 1 ATOM 5164 C CG . ASP D 4 96 ? 15.799 35.759 -5.478 1.00 37.05 ? 95 ASP D CG 1 ATOM 5165 O OD1 . ASP D 4 96 ? 15.859 35.446 -6.701 1.00 34.80 ? 95 ASP D OD1 1 ATOM 5166 O OD2 . ASP D 4 96 ? 14.906 35.360 -4.716 1.00 38.37 ? 95 ASP D OD2 1 ATOM 5167 N N . GLU D 4 97 ? 18.826 35.482 -6.454 1.00 33.71 ? 96 GLU D N 1 ATOM 5168 C CA . GLU D 4 97 ? 19.730 34.687 -7.287 1.00 33.53 ? 96 GLU D CA 1 ATOM 5169 C C . GLU D 4 97 ? 19.057 34.197 -8.581 1.00 32.83 ? 96 GLU D C 1 ATOM 5170 O O . GLU D 4 97 ? 19.743 33.847 -9.532 1.00 32.11 ? 96 GLU D O 1 ATOM 5171 C CB . GLU D 4 97 ? 20.383 33.541 -6.496 1.00 34.60 ? 96 GLU D CB 1 ATOM 5172 C CG . GLU D 4 97 ? 19.456 32.441 -6.023 1.00 37.15 ? 96 GLU D CG 1 ATOM 5173 C CD . GLU D 4 97 ? 18.759 32.755 -4.706 1.00 40.11 ? 96 GLU D CD 1 ATOM 5174 O OE1 . GLU D 4 97 ? 18.771 33.934 -4.276 1.00 40.49 ? 96 GLU D OE1 1 ATOM 5175 O OE2 . GLU D 4 97 ? 18.187 31.812 -4.109 1.00 40.11 ? 96 GLU D OE2 1 ATOM 5176 N N . GLY D 4 98 ? 17.725 34.219 -8.615 1.00 33.59 ? 97 GLY D N 1 ATOM 5177 C CA . GLY D 4 98 ? 16.949 33.795 -9.784 1.00 33.49 ? 97 GLY D CA 1 ATOM 5178 C C . GLY D 4 98 ? 17.052 34.801 -10.925 1.00 32.30 ? 97 GLY D C 1 ATOM 5179 O O . GLY D 4 98 ? 17.639 35.868 -10.759 1.00 31.97 ? 97 GLY D O 1 ATOM 5180 N N . TYR D 4 99 ? 16.479 34.469 -12.078 1.00 32.07 ? 98 TYR D N 1 ATOM 5181 C CA . TYR D 4 99 ? 16.621 35.300 -13.276 1.00 31.50 ? 98 TYR D CA 1 ATOM 5182 C C . TYR D 4 99 ? 15.618 36.462 -13.358 1.00 31.66 ? 98 TYR D C 1 ATOM 5183 O O . TYR D 4 99 ? 15.881 37.428 -14.076 1.00 31.90 ? 98 TYR D O 1 ATOM 5184 C CB . TYR D 4 99 ? 16.579 34.456 -14.575 1.00 30.79 ? 98 TYR D CB 1 ATOM 5185 C CG . TYR D 4 99 ? 15.305 33.655 -14.819 1.00 32.81 ? 98 TYR D CG 1 ATOM 5186 C CD1 . TYR D 4 99 ? 14.117 34.285 -15.211 1.00 34.11 ? 98 TYR D CD1 1 ATOM 5187 C CD2 . TYR D 4 99 ? 15.291 32.265 -14.686 1.00 33.08 ? 98 TYR D CD2 1 ATOM 5188 C CE1 . TYR D 4 99 ? 12.961 33.554 -15.443 1.00 35.51 ? 98 TYR D CE1 1 ATOM 5189 C CE2 . TYR D 4 99 ? 14.153 31.543 -14.907 1.00 34.49 ? 98 TYR D CE2 1 ATOM 5190 C CZ . TYR D 4 99 ? 12.991 32.191 -15.303 1.00 37.25 ? 98 TYR D CZ 1 ATOM 5191 O OH . TYR D 4 99 ? 11.845 31.465 -15.536 1.00 43.27 ? 98 TYR D OH 1 ATOM 5192 N N . THR D 4 100 ? 14.498 36.364 -12.633 1.00 32.17 ? 99 THR D N 1 ATOM 5193 C CA . THR D 4 100 ? 13.453 37.407 -12.628 1.00 32.31 ? 99 THR D CA 1 ATOM 5194 C C . THR D 4 100 ? 13.928 38.748 -12.056 1.00 31.07 ? 99 THR D C 1 ATOM 5195 O O . THR D 4 100 ? 14.469 38.799 -10.945 1.00 30.65 ? 99 THR D O 1 ATOM 5196 C CB . THR D 4 100 ? 12.183 36.956 -11.869 1.00 34.00 ? 99 THR D CB 1 ATOM 5197 O OG1 . THR D 4 100 ? 11.742 35.713 -12.403 1.00 35.45 ? 99 THR D OG1 1 ATOM 5198 C CG2 . THR D 4 100 ? 11.033 37.979 -12.020 1.00 34.99 ? 99 THR D CG2 1 ATOM 5199 N N . GLN D 4 101 ? 13.726 39.822 -12.828 1.00 29.58 ? 100 GLN D N 1 ATOM 5200 C CA . GLN D 4 101 ? 13.956 41.175 -12.335 1.00 28.40 ? 100 GLN D CA 1 ATOM 5201 C C . GLN D 4 101 ? 12.614 41.837 -12.089 1.00 29.90 ? 100 GLN D C 1 ATOM 5202 O O . GLN D 4 101 ? 11.739 41.804 -12.954 1.00 30.50 ? 100 GLN D O 1 ATOM 5203 C CB . GLN D 4 101 ? 14.831 41.989 -13.304 1.00 27.84 ? 100 GLN D CB 1 ATOM 5204 C CG . GLN D 4 101 ? 16.269 41.433 -13.377 1.00 26.02 ? 100 GLN D CG 1 ATOM 5205 C CD . GLN D 4 101 ? 17.235 42.347 -14.082 1.00 27.38 ? 100 GLN D CD 1 ATOM 5206 O OE1 . GLN D 4 101 ? 16.939 43.520 -14.361 1.00 25.60 ? 100 GLN D OE1 1 ATOM 5207 N NE2 . GLN D 4 101 ? 18.419 41.827 -14.357 1.00 25.20 ? 100 GLN D NE2 1 ATOM 5208 N N . TYR D 4 102 ? 12.428 42.394 -10.888 1.00 29.80 ? 101 TYR D N 1 ATOM 5209 C CA . TYR D 4 102 ? 11.146 42.998 -10.509 1.00 30.61 ? 101 TYR D CA 1 ATOM 5210 C C . TYR D 4 102 ? 11.283 44.479 -10.710 1.00 29.53 ? 101 TYR D C 1 ATOM 5211 O O . TYR D 4 102 ? 12.074 45.113 -10.012 1.00 29.51 ? 101 TYR D O 1 ATOM 5212 C CB . TYR D 4 102 ? 10.777 42.661 -9.051 1.00 31.53 ? 101 TYR D CB 1 ATOM 5213 C CG . TYR D 4 102 ? 10.647 41.170 -8.819 1.00 31.91 ? 101 TYR D CG 1 ATOM 5214 C CD1 . TYR D 4 102 ? 9.417 40.518 -8.970 1.00 33.65 ? 101 TYR D CD1 1 ATOM 5215 C CD2 . TYR D 4 102 ? 11.768 40.401 -8.519 1.00 30.39 ? 101 TYR D CD2 1 ATOM 5216 C CE1 . TYR D 4 102 ? 9.312 39.136 -8.808 1.00 34.66 ? 101 TYR D CE1 1 ATOM 5217 C CE2 . TYR D 4 102 ? 11.674 39.039 -8.339 1.00 31.13 ? 101 TYR D CE2 1 ATOM 5218 C CZ . TYR D 4 102 ? 10.451 38.408 -8.484 1.00 35.00 ? 101 TYR D CZ 1 ATOM 5219 O OH . TYR D 4 102 ? 10.384 37.042 -8.277 1.00 38.59 ? 101 TYR D OH 1 ATOM 5220 N N . PHE D 4 103 ? 10.534 45.029 -11.667 1.00 29.51 ? 102 PHE D N 1 ATOM 5221 C CA . PHE D 4 103 ? 10.698 46.449 -12.056 1.00 29.00 ? 102 PHE D CA 1 ATOM 5222 C C . PHE D 4 103 ? 9.897 47.425 -11.236 1.00 29.37 ? 102 PHE D C 1 ATOM 5223 O O . PHE D 4 103 ? 8.776 47.136 -10.841 1.00 31.05 ? 102 PHE D O 1 ATOM 5224 C CB . PHE D 4 103 ? 10.418 46.666 -13.549 1.00 28.89 ? 102 PHE D CB 1 ATOM 5225 C CG . PHE D 4 103 ? 11.496 46.125 -14.406 1.00 30.62 ? 102 PHE D CG 1 ATOM 5226 C CD1 . PHE D 4 103 ? 11.490 44.768 -14.781 1.00 30.71 ? 102 PHE D CD1 1 ATOM 5227 C CD2 . PHE D 4 103 ? 12.593 46.928 -14.755 1.00 30.05 ? 102 PHE D CD2 1 ATOM 5228 C CE1 . PHE D 4 103 ? 12.523 44.235 -15.531 1.00 28.64 ? 102 PHE D CE1 1 ATOM 5229 C CE2 . PHE D 4 103 ? 13.652 46.390 -15.526 1.00 30.01 ? 102 PHE D CE2 1 ATOM 5230 C CZ . PHE D 4 103 ? 13.608 45.047 -15.908 1.00 28.74 ? 102 PHE D CZ 1 ATOM 5231 N N . GLY D 4 104 ? 10.520 48.569 -10.973 1.00 28.43 ? 103 GLY D N 1 ATOM 5232 C CA . GLY D 4 104 ? 9.868 49.707 -10.400 1.00 29.78 ? 103 GLY D CA 1 ATOM 5233 C C . GLY D 4 104 ? 9.042 50.404 -11.462 1.00 30.03 ? 103 GLY D C 1 ATOM 5234 O O . GLY D 4 104 ? 9.129 50.046 -12.647 1.00 29.84 ? 103 GLY D O 1 ATOM 5235 N N . PRO D 4 105 ? 8.258 51.420 -11.056 1.00 30.56 ? 104 PRO D N 1 ATOM 5236 C CA . PRO D 4 105 ? 7.265 52.098 -11.903 1.00 31.11 ? 104 PRO D CA 1 ATOM 5237 C C . PRO D 4 105 ? 7.812 53.119 -12.880 1.00 29.98 ? 104 PRO D C 1 ATOM 5238 O O . PRO D 4 105 ? 7.072 53.597 -13.727 1.00 31.10 ? 104 PRO D O 1 ATOM 5239 C CB . PRO D 4 105 ? 6.360 52.813 -10.873 1.00 33.43 ? 104 PRO D CB 1 ATOM 5240 C CG . PRO D 4 105 ? 7.291 53.145 -9.753 1.00 32.87 ? 104 PRO D CG 1 ATOM 5241 C CD . PRO D 4 105 ? 8.179 51.879 -9.659 1.00 32.25 ? 104 PRO D CD 1 ATOM 5242 N N . GLY D 4 106 ? 9.079 53.488 -12.747 1.00 29.16 ? 105 GLY D N 1 ATOM 5243 C CA . GLY D 4 106 ? 9.722 54.411 -13.671 1.00 28.02 ? 105 GLY D CA 1 ATOM 5244 C C . GLY D 4 106 ? 9.825 55.823 -13.137 1.00 29.35 ? 105 GLY D C 1 ATOM 5245 O O . GLY D 4 106 ? 8.976 56.263 -12.362 1.00 30.69 ? 105 GLY D O 1 ATOM 5246 N N . THR D 4 107 ? 10.865 56.541 -13.556 1.00 28.51 ? 106 THR D N 1 ATOM 5247 C CA . THR D 4 107 ? 11.021 57.953 -13.197 1.00 29.33 ? 106 THR D CA 1 ATOM 5248 C C . THR D 4 107 ? 11.234 58.719 -14.486 1.00 29.04 ? 106 THR D C 1 ATOM 5249 O O . THR D 4 107 ? 12.123 58.369 -15.280 1.00 27.82 ? 106 THR D O 1 ATOM 5250 C CB . THR D 4 107 ? 12.214 58.207 -12.225 1.00 29.06 ? 106 THR D CB 1 ATOM 5251 O OG1 . THR D 4 107 ? 11.968 57.537 -10.982 1.00 33.47 ? 106 THR D OG1 1 ATOM 5252 C CG2 . THR D 4 107 ? 12.381 59.698 -11.929 1.00 28.40 ? 106 THR D CG2 1 ATOM 5253 N N . ARG D 4 108 ? 10.408 59.740 -14.700 1.00 29.56 ? 107 ARG D N 1 ATOM 5254 C CA . ARG D 4 108 ? 10.561 60.593 -15.863 1.00 31.17 ? 107 ARG D CA 1 ATOM 5255 C C . ARG D 4 108 ? 11.461 61.768 -15.534 1.00 30.36 ? 107 ARG D C 1 ATOM 5256 O O . ARG D 4 108 ? 11.125 62.590 -14.690 1.00 32.12 ? 107 ARG D O 1 ATOM 5257 C CB . ARG D 4 108 ? 9.224 61.178 -16.300 1.00 32.55 ? 107 ARG D CB 1 ATOM 5258 C CG . ARG D 4 108 ? 8.143 60.212 -16.595 1.00 39.19 ? 107 ARG D CG 1 ATOM 5259 C CD . ARG D 4 108 ? 7.226 60.917 -17.552 1.00 47.67 ? 107 ARG D CD 1 ATOM 5260 N NE . ARG D 4 108 ? 5.824 60.607 -17.344 1.00 54.29 ? 107 ARG D NE 1 ATOM 5261 C CZ . ARG D 4 108 ? 5.200 59.599 -17.937 1.00 58.96 ? 107 ARG D CZ 1 ATOM 5262 N NH1 . ARG D 4 108 ? 5.881 58.782 -18.752 1.00 59.65 ? 107 ARG D NH1 1 ATOM 5263 N NH2 . ARG D 4 108 ? 3.910 59.407 -17.700 1.00 60.28 ? 107 ARG D NH2 1 ATOM 5264 N N . LEU D 4 109 ? 12.567 61.880 -16.237 1.00 29.31 ? 108 LEU D N 1 ATOM 5265 C CA . LEU D 4 109 ? 13.446 63.039 -16.083 1.00 28.93 ? 108 LEU D CA 1 ATOM 5266 C C . LEU D 4 109 ? 13.417 63.886 -17.349 1.00 29.06 ? 108 LEU D C 1 ATOM 5267 O O . LEU D 4 109 ? 13.533 63.366 -18.457 1.00 28.87 ? 108 LEU D O 1 ATOM 5268 C CB . LEU D 4 109 ? 14.880 62.574 -15.803 1.00 27.65 ? 108 LEU D CB 1 ATOM 5269 C CG . LEU D 4 109 ? 15.962 63.656 -15.704 1.00 29.18 ? 108 LEU D CG 1 ATOM 5270 C CD1 . LEU D 4 109 ? 15.664 64.603 -14.545 1.00 26.64 ? 108 LEU D CD1 1 ATOM 5271 C CD2 . LEU D 4 109 ? 17.350 63.007 -15.557 1.00 28.11 ? 108 LEU D CD2 1 ATOM 5272 N N . LEU D 4 110 ? 13.249 65.187 -17.182 1.00 30.03 ? 109 LEU D N 1 ATOM 5273 C CA . LEU D 4 110 ? 13.521 66.132 -18.263 1.00 30.57 ? 109 LEU D CA 1 ATOM 5274 C C . LEU D 4 110 ? 14.621 67.063 -17.825 1.00 31.34 ? 109 LEU D C 1 ATOM 5275 O O . LEU D 4 110 ? 14.503 67.739 -16.793 1.00 32.41 ? 109 LEU D O 1 ATOM 5276 C CB . LEU D 4 110 ? 12.274 66.940 -18.622 1.00 31.21 ? 109 LEU D CB 1 ATOM 5277 C CG . LEU D 4 110 ? 12.409 68.062 -19.653 1.00 31.97 ? 109 LEU D CG 1 ATOM 5278 C CD1 . LEU D 4 110 ? 12.778 67.549 -21.047 1.00 28.75 ? 109 LEU D CD1 1 ATOM 5279 C CD2 . LEU D 4 110 ? 11.090 68.862 -19.701 1.00 32.88 ? 109 LEU D CD2 1 ATOM 5280 N N . VAL D 4 111 ? 15.693 67.106 -18.612 1.00 31.65 ? 110 VAL D N 1 ATOM 5281 C CA . VAL D 4 111 ? 16.775 68.084 -18.422 1.00 31.80 ? 110 VAL D CA 1 ATOM 5282 C C . VAL D 4 111 ? 16.668 69.226 -19.448 1.00 33.45 ? 110 VAL D C 1 ATOM 5283 O O . VAL D 4 111 ? 16.896 69.029 -20.642 1.00 33.90 ? 110 VAL D O 1 ATOM 5284 C CB . VAL D 4 111 ? 18.156 67.390 -18.519 1.00 31.59 ? 110 VAL D CB 1 ATOM 5285 C CG1 . VAL D 4 111 ? 19.293 68.339 -18.151 1.00 31.14 ? 110 VAL D CG1 1 ATOM 5286 C CG2 . VAL D 4 111 ? 18.195 66.131 -17.624 1.00 29.53 ? 110 VAL D CG2 1 ATOM 5287 N N . LEU D 4 112 ? 16.287 70.412 -18.982 1.00 34.71 ? 111 LEU D N 1 ATOM 5288 C CA . LEU D 4 112 ? 16.242 71.624 -19.820 1.00 36.37 ? 111 LEU D CA 1 ATOM 5289 C C . LEU D 4 112 ? 17.572 72.381 -19.819 1.00 37.78 ? 111 LEU D C 1 ATOM 5290 O O . LEU D 4 112 ? 18.332 72.321 -18.853 1.00 37.58 ? 111 LEU D O 1 ATOM 5291 C CB . LEU D 4 112 ? 15.167 72.579 -19.315 1.00 36.70 ? 111 LEU D CB 1 ATOM 5292 C CG . LEU D 4 112 ? 13.743 72.047 -19.220 1.00 36.79 ? 111 LEU D CG 1 ATOM 5293 C CD1 . LEU D 4 112 ? 12.876 73.016 -18.414 1.00 35.02 ? 111 LEU D CD1 1 ATOM 5294 C CD2 . LEU D 4 112 ? 13.157 71.793 -20.611 1.00 37.92 ? 111 LEU D CD2 1 ATOM 5295 N N . GLU D 4 113 ? 17.830 73.118 -20.896 1.00 39.81 ? 112 GLU D N 1 ATOM 5296 C CA . GLU D 4 113 ? 19.024 73.956 -21.012 1.00 41.97 ? 112 GLU D CA 1 ATOM 5297 C C . GLU D 4 113 ? 18.965 75.106 -20.012 1.00 42.86 ? 112 GLU D C 1 ATOM 5298 O O . GLU D 4 113 ? 19.987 75.560 -19.490 1.00 43.90 ? 112 GLU D O 1 ATOM 5299 C CB . GLU D 4 113 ? 19.135 74.513 -22.447 1.00 44.13 ? 112 GLU D CB 1 ATOM 5300 N N . ASP D 4 114 ? 17.744 75.560 -19.744 1.00 52.68 ? 113 ASP D N 1 ATOM 5301 C CA . ASP D 4 114 ? 17.518 76.721 -18.907 1.00 52.09 ? 113 ASP D CA 1 ATOM 5302 C C . ASP D 4 114 ? 16.133 76.635 -18.300 1.00 48.08 ? 113 ASP D C 1 ATOM 5303 O O . ASP D 4 114 ? 15.219 76.098 -18.914 1.00 47.02 ? 113 ASP D O 1 ATOM 5304 C CB . ASP D 4 114 ? 17.658 77.989 -19.745 1.00 54.83 ? 113 ASP D CB 1 ATOM 5305 C CG . ASP D 4 114 ? 17.482 79.238 -18.930 1.00 57.45 ? 113 ASP D CG 1 ATOM 5306 O OD1 . ASP D 4 114 ? 18.462 79.745 -18.346 1.00 63.19 ? 113 ASP D OD1 1 ATOM 5307 O OD2 . ASP D 4 114 ? 16.346 79.724 -18.873 1.00 59.44 ? 113 ASP D OD2 1 ATOM 5308 N N . LEU D 4 115 ? 15.990 77.162 -17.090 1.00 46.40 ? 114 LEU D N 1 ATOM 5309 C CA . LEU D 4 115 ? 14.740 77.108 -16.345 1.00 43.16 ? 114 LEU D CA 1 ATOM 5310 C C . LEU D 4 115 ? 13.851 78.355 -16.465 1.00 42.67 ? 114 LEU D C 1 ATOM 5311 O O . LEU D 4 115 ? 12.803 78.416 -15.832 1.00 39.84 ? 114 LEU D O 1 ATOM 5312 C CB . LEU D 4 115 ? 15.036 76.829 -14.871 1.00 42.38 ? 114 LEU D CB 1 ATOM 5313 C CG . LEU D 4 115 ? 15.790 75.533 -14.577 1.00 43.82 ? 114 LEU D CG 1 ATOM 5314 C CD1 . LEU D 4 115 ? 16.116 75.453 -13.096 1.00 44.67 ? 114 LEU D CD1 1 ATOM 5315 C CD2 . LEU D 4 115 ? 15.009 74.293 -15.016 1.00 41.31 ? 114 LEU D CD2 1 ATOM 5316 N N . ARG D 4 116 ? 14.253 79.328 -17.288 1.00 44.74 ? 115 ARG D N 1 ATOM 5317 C CA . ARG D 4 116 ? 13.620 80.652 -17.262 1.00 46.15 ? 115 ARG D CA 1 ATOM 5318 C C . ARG D 4 116 ? 12.127 80.639 -17.596 1.00 44.43 ? 115 ARG D C 1 ATOM 5319 O O . ARG D 4 116 ? 11.396 81.556 -17.206 1.00 44.70 ? 115 ARG D O 1 ATOM 5320 C CB . ARG D 4 116 ? 14.359 81.666 -18.155 1.00 49.06 ? 115 ARG D CB 1 ATOM 5321 C CG . ARG D 4 116 ? 14.102 81.466 -19.642 1.00 51.24 ? 115 ARG D CG 1 ATOM 5322 C CD . ARG D 4 116 ? 15.034 82.290 -20.537 1.00 57.23 ? 115 ARG D CD 1 ATOM 5323 N NE . ARG D 4 116 ? 15.537 81.463 -21.640 1.00 60.50 ? 115 ARG D NE 1 ATOM 5324 C CZ . ARG D 4 116 ? 14.915 81.277 -22.800 1.00 61.29 ? 115 ARG D CZ 1 ATOM 5325 N NH1 . ARG D 4 116 ? 13.755 81.866 -23.044 1.00 61.87 ? 115 ARG D NH1 1 ATOM 5326 N NH2 . ARG D 4 116 ? 15.461 80.504 -23.723 1.00 62.80 ? 115 ARG D NH2 1 ATOM 5327 N N . ASN D 4 117 ? 11.681 79.605 -18.304 1.00 43.15 ? 116 ASN D N 1 ATOM 5328 C CA . ASN D 4 117 ? 10.321 79.565 -18.800 1.00 41.93 ? 116 ASN D CA 1 ATOM 5329 C C . ASN D 4 117 ? 9.386 78.684 -17.993 1.00 39.29 ? 116 ASN D C 1 ATOM 5330 O O . ASN D 4 117 ? 8.186 78.619 -18.291 1.00 38.83 ? 116 ASN D O 1 ATOM 5331 C CB . ASN D 4 117 ? 10.305 79.161 -20.271 1.00 43.20 ? 116 ASN D CB 1 ATOM 5332 C CG . ASN D 4 117 ? 10.657 80.320 -21.197 1.00 47.54 ? 116 ASN D CG 1 ATOM 5333 O OD1 . ASN D 4 117 ? 10.244 81.471 -20.965 1.00 51.33 ? 116 ASN D OD1 1 ATOM 5334 N ND2 . ASN D 4 117 ? 11.417 80.028 -22.249 1.00 47.78 ? 116 ASN D ND2 1 ATOM 5335 N N . VAL D 4 118 ? 9.919 78.020 -16.968 1.00 37.75 ? 117 VAL D N 1 ATOM 5336 C CA . VAL D 4 118 ? 9.119 77.121 -16.141 1.00 34.65 ? 117 VAL D CA 1 ATOM 5337 C C . VAL D 4 118 ? 7.966 77.920 -15.513 1.00 34.66 ? 117 VAL D C 1 ATOM 5338 O O . VAL D 4 118 ? 8.181 79.025 -14.992 1.00 35.48 ? 117 VAL D O 1 ATOM 5339 C CB . VAL D 4 118 ? 10.001 76.399 -15.086 1.00 34.07 ? 117 VAL D CB 1 ATOM 5340 C CG1 . VAL D 4 118 ? 9.168 75.490 -14.194 1.00 31.26 ? 117 VAL D CG1 1 ATOM 5341 C CG2 . VAL D 4 118 ? 11.118 75.599 -15.778 1.00 33.80 ? 117 VAL D CG2 1 ATOM 5342 N N . THR D 4 119 ? 6.749 77.369 -15.605 1.00 33.47 ? 118 THR D N 1 ATOM 5343 C CA . THR D 4 119 ? 5.515 78.062 -15.236 1.00 33.69 ? 118 THR D CA 1 ATOM 5344 C C . THR D 4 119 ? 4.458 77.023 -14.889 1.00 31.67 ? 118 THR D C 1 ATOM 5345 O O . THR D 4 119 ? 4.181 76.141 -15.705 1.00 31.19 ? 118 THR D O 1 ATOM 5346 C CB . THR D 4 119 ? 4.964 78.937 -16.406 1.00 35.04 ? 118 THR D CB 1 ATOM 5347 O OG1 . THR D 4 119 ? 6.033 79.666 -17.010 1.00 38.11 ? 118 THR D OG1 1 ATOM 5348 C CG2 . THR D 4 119 ? 3.908 79.921 -15.910 1.00 35.97 ? 118 THR D CG2 1 ATOM 5349 N N . PRO D 4 120 ? 3.859 77.124 -13.684 1.00 31.03 ? 119 PRO D N 1 ATOM 5350 C CA . PRO D 4 120 ? 2.819 76.174 -13.300 1.00 29.41 ? 119 PRO D CA 1 ATOM 5351 C C . PRO D 4 120 ? 1.524 76.446 -14.092 1.00 29.45 ? 119 PRO D C 1 ATOM 5352 O O . PRO D 4 120 ? 1.385 77.524 -14.666 1.00 30.36 ? 119 PRO D O 1 ATOM 5353 C CB . PRO D 4 120 ? 2.616 76.470 -11.817 1.00 29.44 ? 119 PRO D CB 1 ATOM 5354 C CG . PRO D 4 120 ? 2.953 77.945 -11.671 1.00 30.66 ? 119 PRO D CG 1 ATOM 5355 C CD . PRO D 4 120 ? 4.039 78.197 -12.681 1.00 31.97 ? 119 PRO D CD 1 ATOM 5356 N N . PRO D 4 121 ? 0.593 75.480 -14.117 1.00 28.06 ? 120 PRO D N 1 ATOM 5357 C CA . PRO D 4 121 ? -0.677 75.652 -14.819 1.00 28.55 ? 120 PRO D CA 1 ATOM 5358 C C . PRO D 4 121 ? -1.680 76.511 -14.075 1.00 29.46 ? 120 PRO D C 1 ATOM 5359 O O . PRO D 4 121 ? -1.622 76.576 -12.841 1.00 29.66 ? 120 PRO D O 1 ATOM 5360 C CB . PRO D 4 121 ? -1.225 74.227 -14.891 1.00 27.10 ? 120 PRO D CB 1 ATOM 5361 C CG . PRO D 4 121 ? -0.691 73.565 -13.619 1.00 26.09 ? 120 PRO D CG 1 ATOM 5362 C CD . PRO D 4 121 ? 0.719 74.139 -13.502 1.00 27.13 ? 120 PRO D CD 1 ATOM 5363 N N . LYS D 4 122 ? -2.575 77.179 -14.813 1.00 30.41 ? 121 LYS D N 1 ATOM 5364 C CA . LYS D 4 122 ? -3.878 77.547 -14.256 1.00 31.32 ? 121 LYS D CA 1 ATOM 5365 C C . LYS D 4 122 ? -4.779 76.334 -14.502 1.00 30.11 ? 121 LYS D C 1 ATOM 5366 O O . LYS D 4 122 ? -4.671 75.680 -15.537 1.00 30.16 ? 121 LYS D O 1 ATOM 5367 C CB . LYS D 4 122 ? -4.511 78.774 -14.911 1.00 32.87 ? 121 LYS D CB 1 ATOM 5368 C CG . LYS D 4 122 ? -3.621 80.006 -15.089 1.00 37.87 ? 121 LYS D CG 1 ATOM 5369 C CD . LYS D 4 122 ? -3.406 80.827 -13.806 1.00 42.79 ? 121 LYS D CD 1 ATOM 5370 N N . VAL D 4 123 ? -5.672 76.044 -13.566 1.00 29.23 ? 122 VAL D N 1 ATOM 5371 C CA . VAL D 4 123 ? -6.593 74.950 -13.746 1.00 28.11 ? 122 VAL D CA 1 ATOM 5372 C C . VAL D 4 123 ? -8.035 75.441 -13.592 1.00 29.61 ? 122 VAL D C 1 ATOM 5373 O O . VAL D 4 123 ? -8.383 76.084 -12.600 1.00 30.78 ? 122 VAL D O 1 ATOM 5374 C CB . VAL D 4 123 ? -6.310 73.830 -12.758 1.00 26.79 ? 122 VAL D CB 1 ATOM 5375 C CG1 . VAL D 4 123 ? -7.319 72.711 -12.935 1.00 25.87 ? 122 VAL D CG1 1 ATOM 5376 C CG2 . VAL D 4 123 ? -4.886 73.291 -12.953 1.00 25.50 ? 122 VAL D CG2 1 ATOM 5377 N N . SER D 4 124 ? -8.857 75.145 -14.585 1.00 29.34 ? 123 SER D N 1 ATOM 5378 C CA . SER D 4 124 ? -10.266 75.496 -14.550 1.00 31.08 ? 123 SER D CA 1 ATOM 5379 C C . SER D 4 124 ? -11.070 74.226 -14.727 1.00 30.23 ? 123 SER D C 1 ATOM 5380 O O . SER D 4 124 ? -10.664 73.319 -15.460 1.00 29.50 ? 123 SER D O 1 ATOM 5381 C CB . SER D 4 124 ? -10.621 76.468 -15.678 1.00 32.37 ? 123 SER D CB 1 ATOM 5382 O OG . SER D 4 124 ? -9.916 77.695 -15.560 1.00 35.91 ? 123 SER D OG 1 ATOM 5383 N N . LEU D 4 125 ? -12.209 74.175 -14.051 1.00 30.86 ? 124 LEU D N 1 ATOM 5384 C CA . LEU D 4 125 ? -13.115 73.055 -14.157 1.00 30.66 ? 124 LEU D CA 1 ATOM 5385 C C . LEU D 4 125 ? -14.347 73.561 -14.840 1.00 31.98 ? 124 LEU D C 1 ATOM 5386 O O . LEU D 4 125 ? -14.905 74.594 -14.456 1.00 34.00 ? 124 LEU D O 1 ATOM 5387 C CB . LEU D 4 125 ? -13.426 72.494 -12.771 1.00 30.53 ? 124 LEU D CB 1 ATOM 5388 C CG . LEU D 4 125 ? -14.395 71.316 -12.660 1.00 31.07 ? 124 LEU D CG 1 ATOM 5389 C CD1 . LEU D 4 125 ? -14.040 70.218 -13.631 1.00 30.61 ? 124 LEU D CD1 1 ATOM 5390 C CD2 . LEU D 4 125 ? -14.399 70.789 -11.229 1.00 30.22 ? 124 LEU D CD2 1 ATOM 5391 N N . PHE D 4 126 ? -14.755 72.865 -15.890 1.00 32.25 ? 125 PHE D N 1 ATOM 5392 C CA . PHE D 4 126 ? -15.946 73.256 -16.610 1.00 33.38 ? 125 PHE D CA 1 ATOM 5393 C C . PHE D 4 126 ? -17.056 72.257 -16.328 1.00 34.33 ? 125 PHE D C 1 ATOM 5394 O O . PHE D 4 126 ? -16.878 71.047 -16.480 1.00 33.51 ? 125 PHE D O 1 ATOM 5395 C CB . PHE D 4 126 ? -15.656 73.375 -18.109 1.00 33.53 ? 125 PHE D CB 1 ATOM 5396 C CG . PHE D 4 126 ? -14.696 74.468 -18.438 1.00 31.30 ? 125 PHE D CG 1 ATOM 5397 C CD1 . PHE D 4 126 ? -13.332 74.253 -18.356 1.00 27.03 ? 125 PHE D CD1 1 ATOM 5398 C CD2 . PHE D 4 126 ? -15.156 75.724 -18.819 1.00 32.74 ? 125 PHE D CD2 1 ATOM 5399 C CE1 . PHE D 4 126 ? -12.418 75.256 -18.645 1.00 27.12 ? 125 PHE D CE1 1 ATOM 5400 C CE2 . PHE D 4 126 ? -14.242 76.758 -19.115 1.00 32.23 ? 125 PHE D CE2 1 ATOM 5401 C CZ . PHE D 4 126 ? -12.867 76.512 -19.026 1.00 29.94 ? 125 PHE D CZ 1 ATOM 5402 N N . GLU D 4 127 ? -18.211 72.784 -15.950 1.00 35.89 ? 126 GLU D N 1 ATOM 5403 C CA . GLU D 4 127 ? -19.287 71.975 -15.435 1.00 36.85 ? 126 GLU D CA 1 ATOM 5404 C C . GLU D 4 127 ? -20.186 71.438 -16.556 1.00 38.13 ? 126 GLU D C 1 ATOM 5405 O O . GLU D 4 127 ? -20.381 72.097 -17.602 1.00 39.58 ? 126 GLU D O 1 ATOM 5406 C CB . GLU D 4 127 ? -20.103 72.788 -14.413 1.00 38.72 ? 126 GLU D CB 1 ATOM 5407 C CG . GLU D 4 127 ? -19.336 73.058 -13.085 1.00 40.09 ? 126 GLU D CG 1 ATOM 5408 C CD . GLU D 4 127 ? -20.061 74.006 -12.123 1.00 45.61 ? 126 GLU D CD 1 ATOM 5409 O OE1 . GLU D 4 127 ? -21.293 74.170 -12.220 1.00 49.37 ? 126 GLU D OE1 1 ATOM 5410 O OE2 . GLU D 4 127 ? -19.391 74.598 -11.250 1.00 48.16 ? 126 GLU D OE2 1 ATOM 5411 N N . PRO D 4 128 ? -20.766 70.252 -16.332 1.00 37.34 ? 127 PRO D N 1 ATOM 5412 C CA . PRO D 4 128 ? -21.668 69.629 -17.306 1.00 38.54 ? 127 PRO D CA 1 ATOM 5413 C C . PRO D 4 128 ? -22.716 70.572 -17.911 1.00 40.62 ? 127 PRO D C 1 ATOM 5414 O O . PRO D 4 128 ? -23.294 71.413 -17.223 1.00 41.57 ? 127 PRO D O 1 ATOM 5415 C CB . PRO D 4 128 ? -22.355 68.541 -16.492 1.00 38.56 ? 127 PRO D CB 1 ATOM 5416 C CG . PRO D 4 128 ? -21.332 68.175 -15.433 1.00 37.36 ? 127 PRO D CG 1 ATOM 5417 C CD . PRO D 4 128 ? -20.635 69.460 -15.096 1.00 35.85 ? 127 PRO D CD 1 ATOM 5418 N N . SER D 4 129 ? -22.955 70.404 -19.204 1.00 41.77 ? 128 SER D N 1 ATOM 5419 C CA . SER D 4 129 ? -24.020 71.100 -19.925 1.00 44.11 ? 128 SER D CA 1 ATOM 5420 C C . SER D 4 129 ? -25.389 70.539 -19.536 1.00 45.39 ? 128 SER D C 1 ATOM 5421 O O . SER D 4 129 ? -25.561 69.320 -19.477 1.00 45.05 ? 128 SER D O 1 ATOM 5422 C CB . SER D 4 129 ? -23.808 70.902 -21.421 1.00 44.94 ? 128 SER D CB 1 ATOM 5423 O OG . SER D 4 129 ? -24.909 71.385 -22.152 1.00 50.55 ? 128 SER D OG 1 ATOM 5424 N N . LYS D 4 130 ? -26.357 71.424 -19.276 1.00 46.88 ? 129 LYS D N 1 ATOM 5425 C CA . LYS D 4 130 ? -27.726 71.009 -18.981 1.00 48.43 ? 129 LYS D CA 1 ATOM 5426 C C . LYS D 4 130 ? -28.321 70.258 -20.175 1.00 49.67 ? 129 LYS D C 1 ATOM 5427 O O . LYS D 4 130 ? -29.122 69.348 -20.000 1.00 50.56 ? 129 LYS D O 1 ATOM 5428 C CB . LYS D 4 130 ? -28.617 72.212 -18.624 1.00 51.18 ? 129 LYS D CB 1 ATOM 5429 N N . ALA D 4 131 ? -27.924 70.649 -21.383 1.00 49.48 ? 130 ALA D N 1 ATOM 5430 C CA . ALA D 4 131 ? -28.379 69.972 -22.589 1.00 51.00 ? 130 ALA D CA 1 ATOM 5431 C C . ALA D 4 131 ? -27.861 68.534 -22.652 1.00 49.51 ? 130 ALA D C 1 ATOM 5432 O O . ALA D 4 131 ? -28.621 67.624 -23.016 1.00 50.77 ? 130 ALA D O 1 ATOM 5433 C CB . ALA D 4 131 ? -27.976 70.746 -23.833 1.00 51.93 ? 130 ALA D CB 1 ATOM 5434 N N . GLU D 4 132 ? -26.585 68.330 -22.297 1.00 46.49 ? 131 GLU D N 1 ATOM 5435 C CA . GLU D 4 132 ? -26.011 66.991 -22.297 1.00 45.27 ? 131 GLU D CA 1 ATOM 5436 C C . GLU D 4 132 ? -26.843 66.112 -21.388 1.00 45.60 ? 131 GLU D C 1 ATOM 5437 O O . GLU D 4 132 ? -27.299 65.032 -21.790 1.00 45.97 ? 131 GLU D O 1 ATOM 5438 C CB . GLU D 4 132 ? -24.534 66.978 -21.852 1.00 42.65 ? 131 GLU D CB 1 ATOM 5439 C CG . GLU D 4 132 ? -23.919 65.565 -21.842 1.00 41.55 ? 131 GLU D CG 1 ATOM 5440 C CD . GLU D 4 132 ? -22.579 65.460 -21.126 1.00 41.46 ? 131 GLU D CD 1 ATOM 5441 O OE1 . GLU D 4 132 ? -22.082 66.458 -20.568 1.00 43.13 ? 131 GLU D OE1 1 ATOM 5442 O OE2 . GLU D 4 132 ? -22.017 64.352 -21.097 1.00 41.26 ? 131 GLU D OE2 1 ATOM 5443 N N . ILE D 4 133 ? -27.042 66.606 -20.165 1.00 45.27 ? 132 ILE D N 1 ATOM 5444 C CA . ILE D 4 133 ? -27.821 65.917 -19.151 1.00 45.74 ? 132 ILE D CA 1 ATOM 5445 C C . ILE D 4 133 ? -29.190 65.497 -19.679 1.00 49.11 ? 132 ILE D C 1 ATOM 5446 O O . ILE D 4 133 ? -29.579 64.338 -19.527 1.00 50.46 ? 132 ILE D O 1 ATOM 5447 C CB . ILE D 4 133 ? -27.947 66.781 -17.868 1.00 45.36 ? 132 ILE D CB 1 ATOM 5448 C CG1 . ILE D 4 133 ? -26.610 66.786 -17.113 1.00 42.78 ? 132 ILE D CG1 1 ATOM 5449 C CG2 . ILE D 4 133 ? -29.058 66.256 -16.955 1.00 45.42 ? 132 ILE D CG2 1 ATOM 5450 C CD1 . ILE D 4 133 ? -26.450 67.929 -16.128 1.00 42.63 ? 132 ILE D CD1 1 ATOM 5451 N N . SER D 4 134 ? -29.922 66.416 -20.308 1.00 50.95 ? 133 SER D N 1 ATOM 5452 C CA . SER D 4 134 ? -31.268 66.076 -20.753 1.00 53.94 ? 133 SER D CA 1 ATOM 5453 C C . SER D 4 134 ? -31.250 65.195 -22.001 1.00 54.82 ? 133 SER D C 1 ATOM 5454 O O . SER D 4 134 ? -32.209 64.475 -22.270 1.00 56.51 ? 133 SER D O 1 ATOM 5455 C CB . SER D 4 134 ? -32.152 67.327 -20.947 1.00 56.62 ? 133 SER D CB 1 ATOM 5456 O OG . SER D 4 134 ? -31.607 68.232 -21.889 1.00 57.31 ? 133 SER D OG 1 ATOM 5457 N N . HIS D 4 135 ? -30.146 65.238 -22.746 1.00 53.45 ? 134 HIS D N 1 ATOM 5458 C CA . HIS D 4 135 ? -30.056 64.492 -24.007 1.00 54.88 ? 134 HIS D CA 1 ATOM 5459 C C . HIS D 4 135 ? -29.610 63.044 -23.809 1.00 53.66 ? 134 HIS D C 1 ATOM 5460 O O . HIS D 4 135 ? -30.102 62.138 -24.494 1.00 55.63 ? 134 HIS D O 1 ATOM 5461 C CB . HIS D 4 135 ? -29.117 65.204 -24.987 1.00 54.25 ? 134 HIS D CB 1 ATOM 5462 C CG . HIS D 4 135 ? -29.228 64.719 -26.398 1.00 56.15 ? 134 HIS D CG 1 ATOM 5463 N ND1 . HIS D 4 135 ? -30.339 64.952 -27.182 1.00 59.21 ? 134 HIS D ND1 1 ATOM 5464 C CD2 . HIS D 4 135 ? -28.355 64.034 -27.176 1.00 54.81 ? 134 HIS D CD2 1 ATOM 5465 C CE1 . HIS D 4 135 ? -30.147 64.422 -28.378 1.00 61.14 ? 134 HIS D CE1 1 ATOM 5466 N NE2 . HIS D 4 135 ? -28.949 63.862 -28.400 1.00 58.90 ? 134 HIS D NE2 1 ATOM 5467 N N . THR D 4 136 ? -28.696 62.845 -22.860 1.00 50.79 ? 135 THR D N 1 ATOM 5468 C CA . THR D 4 136 ? -27.964 61.580 -22.706 1.00 49.77 ? 135 THR D CA 1 ATOM 5469 C C . THR D 4 136 ? -28.137 60.953 -21.317 1.00 49.01 ? 135 THR D C 1 ATOM 5470 O O . THR D 4 136 ? -27.803 59.783 -21.107 1.00 48.57 ? 135 THR D O 1 ATOM 5471 C CB . THR D 4 136 ? -26.446 61.776 -22.947 1.00 47.38 ? 135 THR D CB 1 ATOM 5472 O OG1 . THR D 4 136 ? -25.875 62.557 -21.889 1.00 45.26 ? 135 THR D OG1 1 ATOM 5473 C CG2 . THR D 4 136 ? -26.167 62.459 -24.268 1.00 47.98 ? 135 THR D CG2 1 ATOM 5474 N N . GLN D 4 137 ? -28.659 61.742 -20.378 1.00 49.11 ? 136 GLN D N 1 ATOM 5475 C CA . GLN D 4 137 ? -28.703 61.395 -18.948 1.00 48.42 ? 136 GLN D CA 1 ATOM 5476 C C . GLN D 4 137 ? -27.311 61.130 -18.396 1.00 45.38 ? 136 GLN D C 1 ATOM 5477 O O . GLN D 4 137 ? -27.133 60.411 -17.408 1.00 45.12 ? 136 GLN D O 1 ATOM 5478 C CB . GLN D 4 137 ? -29.670 60.236 -18.651 1.00 50.57 ? 136 GLN D CB 1 ATOM 5479 C CG . GLN D 4 137 ? -31.153 60.549 -18.911 1.00 56.32 ? 136 GLN D CG 1 ATOM 5480 C CD . GLN D 4 137 ? -31.637 61.886 -18.322 1.00 59.74 ? 136 GLN D CD 1 ATOM 5481 O OE1 . GLN D 4 137 ? -31.200 62.322 -17.244 1.00 58.77 ? 136 GLN D OE1 1 ATOM 5482 N NE2 . GLN D 4 137 ? -32.557 62.537 -19.037 1.00 63.25 ? 136 GLN D NE2 1 ATOM 5483 N N . LYS D 4 138 ? -26.321 61.724 -19.044 1.00 43.67 ? 137 LYS D N 1 ATOM 5484 C CA . LYS D 4 138 ? -24.965 61.705 -18.532 1.00 41.39 ? 137 LYS D CA 1 ATOM 5485 C C . LYS D 4 138 ? -24.477 63.140 -18.362 1.00 39.88 ? 137 LYS D C 1 ATOM 5486 O O . LYS D 4 138 ? -25.112 64.089 -18.849 1.00 41.13 ? 137 LYS D O 1 ATOM 5487 C CB . LYS D 4 138 ? -24.039 60.872 -19.433 1.00 41.09 ? 137 LYS D CB 1 ATOM 5488 C CG . LYS D 4 138 ? -24.562 59.454 -19.660 1.00 43.06 ? 137 LYS D CG 1 ATOM 5489 C CD . LYS D 4 138 ? -23.567 58.544 -20.368 1.00 43.83 ? 137 LYS D CD 1 ATOM 5490 C CE . LYS D 4 138 ? -23.934 57.068 -20.207 1.00 43.44 ? 137 LYS D CE 1 ATOM 5491 N NZ . LYS D 4 138 ? -25.280 56.736 -20.804 1.00 49.66 ? 137 LYS D NZ 1 ATOM 5492 N N . ALA D 4 139 ? -23.359 63.287 -17.665 1.00 37.15 ? 138 ALA D N 1 ATOM 5493 C CA . ALA D 4 139 ? -22.810 64.585 -17.346 1.00 36.18 ? 138 ALA D CA 1 ATOM 5494 C C . ALA D 4 139 ? -21.294 64.518 -17.471 1.00 34.41 ? 138 ALA D C 1 ATOM 5495 O O . ALA D 4 139 ? -20.644 63.780 -16.740 1.00 33.18 ? 138 ALA D O 1 ATOM 5496 C CB . ALA D 4 139 ? -23.223 64.993 -15.922 1.00 35.03 ? 138 ALA D CB 1 ATOM 5497 N N . THR D 4 140 ? -20.743 65.283 -18.408 1.00 34.90 ? 139 THR D N 1 ATOM 5498 C CA . THR D 4 140 ? -19.293 65.334 -18.613 1.00 34.01 ? 139 THR D CA 1 ATOM 5499 C C . THR D 4 140 ? -18.711 66.600 -18.026 1.00 33.33 ? 139 THR D C 1 ATOM 5500 O O . THR D 4 140 ? -19.074 67.697 -18.430 1.00 34.43 ? 139 THR D O 1 ATOM 5501 C CB . THR D 4 140 ? -18.895 65.263 -20.135 1.00 34.71 ? 139 THR D CB 1 ATOM 5502 O OG1 . THR D 4 140 ? -19.560 64.163 -20.756 1.00 34.96 ? 139 THR D OG1 1 ATOM 5503 C CG2 . THR D 4 140 ? -17.402 65.050 -20.283 1.00 32.93 ? 139 THR D CG2 1 ATOM 5504 N N . LEU D 4 141 ? -17.816 66.436 -17.066 1.00 32.45 ? 140 LEU D N 1 ATOM 5505 C CA . LEU D 4 141 ? -17.001 67.552 -16.574 1.00 32.04 ? 140 LEU D CA 1 ATOM 5506 C C . LEU D 4 141 ? -15.743 67.691 -17.442 1.00 30.99 ? 140 LEU D C 1 ATOM 5507 O O . LEU D 4 141 ? -15.148 66.697 -17.832 1.00 30.58 ? 140 LEU D O 1 ATOM 5508 C CB . LEU D 4 141 ? -16.609 67.335 -15.103 1.00 30.91 ? 140 LEU D CB 1 ATOM 5509 C CG . LEU D 4 141 ? -17.727 67.320 -14.055 1.00 32.59 ? 140 LEU D CG 1 ATOM 5510 C CD1 . LEU D 4 141 ? -18.520 66.016 -14.050 1.00 34.28 ? 140 LEU D CD1 1 ATOM 5511 C CD2 . LEU D 4 141 ? -17.127 67.550 -12.678 1.00 33.50 ? 140 LEU D CD2 1 ATOM 5512 N N . VAL D 4 142 ? -15.354 68.915 -17.767 1.00 31.03 ? 141 VAL D N 1 ATOM 5513 C CA . VAL D 4 142 ? -14.090 69.129 -18.442 1.00 30.62 ? 141 VAL D CA 1 ATOM 5514 C C . VAL D 4 142 ? -13.123 69.930 -17.551 1.00 30.71 ? 141 VAL D C 1 ATOM 5515 O O . VAL D 4 142 ? -13.490 70.964 -16.951 1.00 31.29 ? 141 VAL D O 1 ATOM 5516 C CB . VAL D 4 142 ? -14.280 69.750 -19.857 1.00 32.16 ? 141 VAL D CB 1 ATOM 5517 C CG1 . VAL D 4 142 ? -12.949 70.256 -20.443 1.00 31.83 ? 141 VAL D CG1 1 ATOM 5518 C CG2 . VAL D 4 142 ? -14.949 68.734 -20.818 1.00 30.96 ? 141 VAL D CG2 1 ATOM 5519 N N . CYS D 4 143 ? -11.896 69.419 -17.456 1.00 29.83 ? 142 CYS D N 1 ATOM 5520 C CA . CYS D 4 143 ? -10.804 70.105 -16.785 1.00 29.99 ? 142 CYS D CA 1 ATOM 5521 C C . CYS D 4 143 ? -9.820 70.635 -17.811 1.00 30.16 ? 142 CYS D C 1 ATOM 5522 O O . CYS D 4 143 ? -9.498 69.948 -18.774 1.00 30.16 ? 142 CYS D O 1 ATOM 5523 C CB . CYS D 4 143 ? -10.043 69.147 -15.889 1.00 29.19 ? 142 CYS D CB 1 ATOM 5524 S SG . CYS D 4 143 ? -8.807 70.001 -14.879 1.00 32.94 ? 142 CYS D SG 1 ATOM 5525 N N . LEU D 4 144 ? -9.289 71.815 -17.547 1.00 29.80 ? 143 LEU D N 1 ATOM 5526 C CA . LEU D 4 144 ? -8.364 72.459 -18.440 1.00 31.26 ? 143 LEU D CA 1 ATOM 5527 C C . LEU D 4 144 ? -7.166 73.005 -17.657 1.00 30.41 ? 143 LEU D C 1 ATOM 5528 O O . LEU D 4 144 ? -7.317 73.871 -16.805 1.00 30.56 ? 143 LEU D O 1 ATOM 5529 C CB . LEU D 4 144 ? -9.110 73.596 -19.145 1.00 33.51 ? 143 LEU D CB 1 ATOM 5530 C CG . LEU D 4 144 ? -8.627 74.085 -20.491 1.00 37.05 ? 143 LEU D CG 1 ATOM 5531 C CD1 . LEU D 4 144 ? -8.346 72.900 -21.395 1.00 40.82 ? 143 LEU D CD1 1 ATOM 5532 C CD2 . LEU D 4 144 ? -9.643 75.031 -21.144 1.00 38.18 ? 143 LEU D CD2 1 ATOM 5533 N N . ALA D 4 145 ? -5.977 72.485 -17.932 1.00 29.63 ? 144 ALA D N 1 ATOM 5534 C CA . ALA D 4 145 ? -4.748 73.036 -17.366 1.00 28.96 ? 144 ALA D CA 1 ATOM 5535 C C . ALA D 4 145 ? -4.126 73.896 -18.454 1.00 29.94 ? 144 ALA D C 1 ATOM 5536 O O . ALA D 4 145 ? -3.959 73.419 -19.578 1.00 30.61 ? 144 ALA D O 1 ATOM 5537 C CB . ALA D 4 145 ? -3.795 71.903 -16.972 1.00 28.04 ? 144 ALA D CB 1 ATOM 5538 N N . THR D 4 146 ? -3.811 75.157 -18.154 1.00 29.94 ? 145 THR D N 1 ATOM 5539 C CA . THR D 4 146 ? -3.283 76.041 -19.193 1.00 31.46 ? 145 THR D CA 1 ATOM 5540 C C . THR D 4 146 ? -2.058 76.795 -18.720 1.00 31.57 ? 145 THR D C 1 ATOM 5541 O O . THR D 4 146 ? -1.802 76.918 -17.508 1.00 30.05 ? 145 THR D O 1 ATOM 5542 C CB . THR D 4 146 ? -4.332 77.065 -19.740 1.00 33.04 ? 145 THR D CB 1 ATOM 5543 O OG1 . THR D 4 146 ? -4.770 77.923 -18.682 1.00 35.09 ? 145 THR D OG1 1 ATOM 5544 C CG2 . THR D 4 146 ? -5.545 76.378 -20.363 1.00 34.14 ? 145 THR D CG2 1 ATOM 5545 N N . GLY D 4 147 ? -1.311 77.295 -19.700 1.00 32.65 ? 146 GLY D N 1 ATOM 5546 C CA . GLY D 4 147 ? -0.185 78.173 -19.467 1.00 34.47 ? 146 GLY D CA 1 ATOM 5547 C C . GLY D 4 147 ? 1.017 77.562 -18.781 1.00 33.64 ? 146 GLY D C 1 ATOM 5548 O O . GLY D 4 147 ? 1.845 78.288 -18.282 1.00 35.56 ? 146 GLY D O 1 ATOM 5549 N N . PHE D 4 148 ? 1.138 76.238 -18.761 1.00 32.23 ? 147 PHE D N 1 ATOM 5550 C CA . PHE D 4 148 ? 2.270 75.607 -18.080 1.00 31.12 ? 147 PHE D CA 1 ATOM 5551 C C . PHE D 4 148 ? 3.465 75.300 -18.977 1.00 32.59 ? 147 PHE D C 1 ATOM 5552 O O . PHE D 4 148 ? 3.327 75.202 -20.203 1.00 33.08 ? 147 PHE D O 1 ATOM 5553 C CB . PHE D 4 148 ? 1.851 74.353 -17.281 1.00 29.44 ? 147 PHE D CB 1 ATOM 5554 C CG . PHE D 4 148 ? 1.265 73.216 -18.107 1.00 27.89 ? 147 PHE D CG 1 ATOM 5555 C CD1 . PHE D 4 148 ? -0.108 73.156 -18.371 1.00 27.83 ? 147 PHE D CD1 1 ATOM 5556 C CD2 . PHE D 4 148 ? 2.063 72.167 -18.537 1.00 29.32 ? 147 PHE D CD2 1 ATOM 5557 C CE1 . PHE D 4 148 ? -0.663 72.089 -19.105 1.00 25.96 ? 147 PHE D CE1 1 ATOM 5558 C CE2 . PHE D 4 148 ? 1.518 71.080 -19.274 1.00 29.40 ? 147 PHE D CE2 1 ATOM 5559 C CZ . PHE D 4 148 ? 0.154 71.041 -19.551 1.00 27.18 ? 147 PHE D CZ 1 ATOM 5560 N N . TYR D 4 149 ? 4.640 75.167 -18.343 1.00 32.39 ? 148 TYR D N 1 ATOM 5561 C CA . TYR D 4 149 ? 5.880 74.781 -19.014 1.00 32.86 ? 148 TYR D CA 1 ATOM 5562 C C . TYR D 4 149 ? 6.850 74.253 -17.956 1.00 32.43 ? 148 TYR D C 1 ATOM 5563 O O . TYR D 4 149 ? 6.903 74.799 -16.863 1.00 32.65 ? 148 TYR D O 1 ATOM 5564 C CB . TYR D 4 149 ? 6.513 75.968 -19.766 1.00 35.30 ? 148 TYR D CB 1 ATOM 5565 C CG . TYR D 4 149 ? 7.742 75.570 -20.575 1.00 35.92 ? 148 TYR D CG 1 ATOM 5566 C CD1 . TYR D 4 149 ? 7.631 75.183 -21.916 1.00 37.25 ? 148 TYR D CD1 1 ATOM 5567 C CD2 . TYR D 4 149 ? 9.011 75.557 -19.989 1.00 36.23 ? 148 TYR D CD2 1 ATOM 5568 C CE1 . TYR D 4 149 ? 8.773 74.796 -22.661 1.00 39.81 ? 148 TYR D CE1 1 ATOM 5569 C CE2 . TYR D 4 149 ? 10.144 75.177 -20.714 1.00 39.23 ? 148 TYR D CE2 1 ATOM 5570 C CZ . TYR D 4 149 ? 10.010 74.798 -22.050 1.00 40.33 ? 148 TYR D CZ 1 ATOM 5571 O OH . TYR D 4 149 ? 11.128 74.430 -22.752 1.00 44.42 ? 148 TYR D OH 1 ATOM 5572 N N . PRO D 4 150 ? 7.571 73.149 -18.249 1.00 32.31 ? 149 PRO D N 1 ATOM 5573 C CA . PRO D 4 150 ? 7.423 72.300 -19.437 1.00 33.08 ? 149 PRO D CA 1 ATOM 5574 C C . PRO D 4 150 ? 6.184 71.370 -19.318 1.00 31.75 ? 149 PRO D C 1 ATOM 5575 O O . PRO D 4 150 ? 5.280 71.663 -18.544 1.00 30.42 ? 149 PRO D O 1 ATOM 5576 C CB . PRO D 4 150 ? 8.737 71.514 -19.464 1.00 33.35 ? 149 PRO D CB 1 ATOM 5577 C CG . PRO D 4 150 ? 9.070 71.343 -18.011 1.00 32.90 ? 149 PRO D CG 1 ATOM 5578 C CD . PRO D 4 150 ? 8.539 72.581 -17.293 1.00 32.02 ? 149 PRO D CD 1 ATOM 5579 N N . ASP D 4 151 ? 6.136 70.286 -20.083 1.00 33.03 ? 150 ASP D N 1 ATOM 5580 C CA . ASP D 4 151 ? 4.909 69.501 -20.192 1.00 33.54 ? 150 ASP D CA 1 ATOM 5581 C C . ASP D 4 151 ? 4.768 68.386 -19.158 1.00 32.96 ? 150 ASP D C 1 ATOM 5582 O O . ASP D 4 151 ? 4.017 67.431 -19.379 1.00 33.55 ? 150 ASP D O 1 ATOM 5583 C CB . ASP D 4 151 ? 4.719 68.942 -21.621 1.00 35.14 ? 150 ASP D CB 1 ATOM 5584 C CG . ASP D 4 151 ? 5.838 67.989 -22.069 1.00 39.38 ? 150 ASP D CG 1 ATOM 5585 O OD1 . ASP D 4 151 ? 6.851 67.782 -21.357 1.00 42.09 ? 150 ASP D OD1 1 ATOM 5586 O OD2 . ASP D 4 151 ? 5.719 67.455 -23.195 1.00 45.26 ? 150 ASP D OD2 1 ATOM 5587 N N . HIS D 4 152 ? 5.461 68.505 -18.028 1.00 32.83 ? 151 HIS D N 1 ATOM 5588 C CA . HIS D 4 152 ? 5.474 67.417 -17.032 1.00 32.22 ? 151 HIS D CA 1 ATOM 5589 C C . HIS D 4 152 ? 4.390 67.625 -15.997 1.00 31.69 ? 151 HIS D C 1 ATOM 5590 O O . HIS D 4 152 ? 4.603 68.225 -14.917 1.00 31.83 ? 151 HIS D O 1 ATOM 5591 C CB . HIS D 4 152 ? 6.865 67.256 -16.418 1.00 32.19 ? 151 HIS D CB 1 ATOM 5592 C CG . HIS D 4 152 ? 7.803 66.481 -17.291 1.00 34.26 ? 151 HIS D CG 1 ATOM 5593 N ND1 . HIS D 4 152 ? 8.712 65.573 -16.792 1.00 33.64 ? 151 HIS D ND1 1 ATOM 5594 C CD2 . HIS D 4 152 ? 7.933 66.442 -18.638 1.00 33.58 ? 151 HIS D CD2 1 ATOM 5595 C CE1 . HIS D 4 152 ? 9.380 65.028 -17.793 1.00 36.54 ? 151 HIS D CE1 1 ATOM 5596 N NE2 . HIS D 4 152 ? 8.914 65.525 -18.926 1.00 36.41 ? 151 HIS D NE2 1 ATOM 5597 N N . VAL D 4 153 ? 3.200 67.154 -16.338 1.00 31.14 ? 152 VAL D N 1 ATOM 5598 C CA . VAL D 4 153 ? 2.089 67.248 -15.416 1.00 29.94 ? 152 VAL D CA 1 ATOM 5599 C C . VAL D 4 153 ? 1.345 65.916 -15.292 1.00 29.78 ? 152 VAL D C 1 ATOM 5600 O O . VAL D 4 153 ? 1.335 65.109 -16.211 1.00 30.05 ? 152 VAL D O 1 ATOM 5601 C CB . VAL D 4 153 ? 1.095 68.368 -15.817 1.00 29.41 ? 152 VAL D CB 1 ATOM 5602 C CG1 . VAL D 4 153 ? 1.740 69.763 -15.695 1.00 29.66 ? 152 VAL D CG1 1 ATOM 5603 C CG2 . VAL D 4 153 ? 0.546 68.121 -17.215 1.00 30.18 ? 152 VAL D CG2 1 ATOM 5604 N N . GLU D 4 154 ? 0.713 65.712 -14.146 1.00 29.14 ? 153 GLU D N 1 ATOM 5605 C CA . GLU D 4 154 ? -0.111 64.541 -13.913 1.00 29.57 ? 153 GLU D CA 1 ATOM 5606 C C . GLU D 4 154 ? -1.465 65.090 -13.516 1.00 27.58 ? 153 GLU D C 1 ATOM 5607 O O . GLU D 4 154 ? -1.605 65.775 -12.489 1.00 26.57 ? 153 GLU D O 1 ATOM 5608 C CB . GLU D 4 154 ? 0.498 63.632 -12.816 1.00 30.49 ? 153 GLU D CB 1 ATOM 5609 C CG . GLU D 4 154 ? 1.890 63.040 -13.193 1.00 37.30 ? 153 GLU D CG 1 ATOM 5610 C CD . GLU D 4 154 ? 2.676 62.363 -12.019 1.00 45.65 ? 153 GLU D CD 1 ATOM 5611 O OE1 . GLU D 4 154 ? 2.410 62.647 -10.822 1.00 44.49 ? 153 GLU D OE1 1 ATOM 5612 O OE2 . GLU D 4 154 ? 3.601 61.553 -12.319 1.00 50.78 ? 153 GLU D OE2 1 ATOM 5613 N N . LEU D 4 155 ? -2.450 64.816 -14.353 1.00 27.17 ? 154 LEU D N 1 ATOM 5614 C CA . LEU D 4 155 ? -3.818 65.257 -14.123 1.00 26.54 ? 154 LEU D CA 1 ATOM 5615 C C . LEU D 4 155 ? -4.631 64.093 -13.568 1.00 26.85 ? 154 LEU D C 1 ATOM 5616 O O . LEU D 4 155 ? -4.651 62.994 -14.145 1.00 27.68 ? 154 LEU D O 1 ATOM 5617 C CB . LEU D 4 155 ? -4.446 65.777 -15.422 1.00 26.57 ? 154 LEU D CB 1 ATOM 5618 C CG . LEU D 4 155 ? -5.757 66.572 -15.273 1.00 26.71 ? 154 LEU D CG 1 ATOM 5619 C CD1 . LEU D 4 155 ? -5.937 67.567 -16.392 1.00 25.28 ? 154 LEU D CD1 1 ATOM 5620 C CD2 . LEU D 4 155 ? -7.013 65.635 -15.136 1.00 24.76 ? 154 LEU D CD2 1 ATOM 5621 N N . SER D 4 156 ? -5.298 64.323 -12.443 1.00 26.20 ? 155 SER D N 1 ATOM 5622 C CA . SER D 4 156 ? -6.109 63.273 -11.844 1.00 25.89 ? 155 SER D CA 1 ATOM 5623 C C . SER D 4 156 ? -7.454 63.850 -11.402 1.00 25.37 ? 155 SER D C 1 ATOM 5624 O O . SER D 4 156 ? -7.569 65.049 -11.165 1.00 23.07 ? 155 SER D O 1 ATOM 5625 C CB . SER D 4 156 ? -5.367 62.589 -10.676 1.00 26.85 ? 155 SER D CB 1 ATOM 5626 O OG . SER D 4 156 ? -5.073 63.508 -9.627 1.00 25.18 ? 155 SER D OG 1 ATOM 5627 N N . TRP D 4 157 ? -8.454 62.966 -11.302 1.00 25.46 ? 156 TRP D N 1 ATOM 5628 C CA . TRP D 4 157 ? -9.783 63.343 -10.882 1.00 25.31 ? 156 TRP D CA 1 ATOM 5629 C C . TRP D 4 157 ? -10.116 62.735 -9.523 1.00 26.32 ? 156 TRP D C 1 ATOM 5630 O O . TRP D 4 157 ? -9.761 61.582 -9.228 1.00 27.24 ? 156 TRP D O 1 ATOM 5631 C CB . TRP D 4 157 ? -10.780 62.844 -11.890 1.00 25.48 ? 156 TRP D CB 1 ATOM 5632 C CG . TRP D 4 157 ? -10.847 63.619 -13.181 1.00 25.03 ? 156 TRP D CG 1 ATOM 5633 C CD1 . TRP D 4 157 ? -10.239 63.298 -14.377 1.00 23.43 ? 156 TRP D CD1 1 ATOM 5634 C CD2 . TRP D 4 157 ? -11.609 64.823 -13.419 1.00 23.08 ? 156 TRP D CD2 1 ATOM 5635 N NE1 . TRP D 4 157 ? -10.584 64.253 -15.333 1.00 24.13 ? 156 TRP D NE1 1 ATOM 5636 C CE2 . TRP D 4 157 ? -11.433 65.172 -14.775 1.00 22.34 ? 156 TRP D CE2 1 ATOM 5637 C CE3 . TRP D 4 157 ? -12.445 65.617 -12.616 1.00 22.34 ? 156 TRP D CE3 1 ATOM 5638 C CZ2 . TRP D 4 157 ? -12.064 66.286 -15.354 1.00 25.00 ? 156 TRP D CZ2 1 ATOM 5639 C CZ3 . TRP D 4 157 ? -13.058 66.721 -13.175 1.00 22.95 ? 156 TRP D CZ3 1 ATOM 5640 C CH2 . TRP D 4 157 ? -12.858 67.055 -14.539 1.00 24.22 ? 156 TRP D CH2 1 ATOM 5641 N N . TRP D 4 158 ? -10.772 63.528 -8.680 1.00 25.97 ? 157 TRP D N 1 ATOM 5642 C CA . TRP D 4 158 ? -11.095 63.090 -7.327 1.00 27.14 ? 157 TRP D CA 1 ATOM 5643 C C . TRP D 4 158 ? -12.556 63.411 -7.066 1.00 27.69 ? 157 TRP D C 1 ATOM 5644 O O . TRP D 4 158 ? -13.046 64.480 -7.461 1.00 28.57 ? 157 TRP D O 1 ATOM 5645 C CB . TRP D 4 158 ? -10.179 63.760 -6.300 1.00 26.86 ? 157 TRP D CB 1 ATOM 5646 C CG . TRP D 4 158 ? -8.714 63.453 -6.545 1.00 26.97 ? 157 TRP D CG 1 ATOM 5647 C CD1 . TRP D 4 158 ? -7.952 63.916 -7.573 1.00 25.21 ? 157 TRP D CD1 1 ATOM 5648 C CD2 . TRP D 4 158 ? -7.855 62.594 -5.761 1.00 26.46 ? 157 TRP D CD2 1 ATOM 5649 N NE1 . TRP D 4 158 ? -6.680 63.407 -7.481 1.00 27.31 ? 157 TRP D NE1 1 ATOM 5650 C CE2 . TRP D 4 158 ? -6.591 62.595 -6.383 1.00 25.35 ? 157 TRP D CE2 1 ATOM 5651 C CE3 . TRP D 4 158 ? -8.032 61.851 -4.586 1.00 26.36 ? 157 TRP D CE3 1 ATOM 5652 C CZ2 . TRP D 4 158 ? -5.496 61.873 -5.880 1.00 26.39 ? 157 TRP D CZ2 1 ATOM 5653 C CZ3 . TRP D 4 158 ? -6.960 61.118 -4.086 1.00 28.40 ? 157 TRP D CZ3 1 ATOM 5654 C CH2 . TRP D 4 158 ? -5.696 61.132 -4.742 1.00 28.30 ? 157 TRP D CH2 1 ATOM 5655 N N . VAL D 4 159 ? -13.252 62.455 -6.476 1.00 27.50 ? 158 VAL D N 1 ATOM 5656 C CA . VAL D 4 159 ? -14.627 62.628 -6.060 1.00 27.84 ? 158 VAL D CA 1 ATOM 5657 C C . VAL D 4 159 ? -14.644 62.289 -4.574 1.00 29.33 ? 158 VAL D C 1 ATOM 5658 O O . VAL D 4 159 ? -14.255 61.168 -4.167 1.00 30.22 ? 158 VAL D O 1 ATOM 5659 C CB . VAL D 4 159 ? -15.603 61.745 -6.873 1.00 29.06 ? 158 VAL D CB 1 ATOM 5660 C CG1 . VAL D 4 159 ? -17.043 61.863 -6.355 1.00 29.57 ? 158 VAL D CG1 1 ATOM 5661 C CG2 . VAL D 4 159 ? -15.594 62.144 -8.347 1.00 26.95 ? 158 VAL D CG2 1 ATOM 5662 N N . ASN D 4 160 ? -15.005 63.284 -3.759 1.00 28.48 ? 159 ASN D N 1 ATOM 5663 C CA . ASN D 4 160 ? -15.098 63.102 -2.325 1.00 30.24 ? 159 ASN D CA 1 ATOM 5664 C C . ASN D 4 160 ? -13.816 62.614 -1.695 1.00 30.02 ? 159 ASN D C 1 ATOM 5665 O O . ASN D 4 160 ? -13.837 61.785 -0.788 1.00 32.00 ? 159 ASN D O 1 ATOM 5666 C CB . ASN D 4 160 ? -16.256 62.163 -1.980 1.00 32.07 ? 159 ASN D CB 1 ATOM 5667 C CG . ASN D 4 160 ? -17.608 62.784 -2.277 1.00 35.39 ? 159 ASN D CG 1 ATOM 5668 O OD1 . ASN D 4 160 ? -17.718 64.003 -2.473 1.00 35.87 ? 159 ASN D OD1 1 ATOM 5669 N ND2 . ASN D 4 160 ? -18.650 61.950 -2.318 1.00 38.20 ? 159 ASN D ND2 1 ATOM 5670 N N . GLY D 4 161 ? -12.699 63.138 -2.179 1.00 28.26 ? 160 GLY D N 1 ATOM 5671 C CA . GLY D 4 161 ? -11.402 62.851 -1.598 1.00 28.77 ? 160 GLY D CA 1 ATOM 5672 C C . GLY D 4 161 ? -10.763 61.552 -2.060 1.00 29.03 ? 160 GLY D C 1 ATOM 5673 O O . GLY D 4 161 ? -9.773 61.131 -1.502 1.00 28.96 ? 160 GLY D O 1 ATOM 5674 N N . LYS D 4 162 ? -11.349 60.917 -3.063 1.00 29.66 ? 161 LYS D N 1 ATOM 5675 C CA . LYS D 4 162 ? -10.876 59.636 -3.581 1.00 31.57 ? 161 LYS D CA 1 ATOM 5676 C C . LYS D 4 162 ? -10.781 59.737 -5.088 1.00 30.43 ? 161 LYS D C 1 ATOM 5677 O O . LYS D 4 162 ? -11.689 60.276 -5.739 1.00 29.63 ? 161 LYS D O 1 ATOM 5678 C CB . LYS D 4 162 ? -11.797 58.472 -3.179 1.00 33.40 ? 161 LYS D CB 1 ATOM 5679 C CG . LYS D 4 162 ? -11.825 58.227 -1.694 1.00 37.54 ? 161 LYS D CG 1 ATOM 5680 C CD . LYS D 4 162 ? -12.394 56.888 -1.336 1.00 43.69 ? 161 LYS D CD 1 ATOM 5681 C CE . LYS D 4 162 ? -12.399 56.730 0.187 1.00 46.77 ? 161 LYS D CE 1 ATOM 5682 N NZ . LYS D 4 162 ? -12.883 55.391 0.622 1.00 51.50 ? 161 LYS D NZ 1 ATOM 5683 N N . GLU D 4 163 ? -9.669 59.232 -5.620 1.00 30.80 ? 162 GLU D N 1 ATOM 5684 C CA . GLU D 4 163 ? -9.369 59.325 -7.037 1.00 30.90 ? 162 GLU D CA 1 ATOM 5685 C C . GLU D 4 163 ? -10.287 58.417 -7.835 1.00 31.07 ? 162 GLU D C 1 ATOM 5686 O O . GLU D 4 163 ? -10.595 57.324 -7.404 1.00 31.87 ? 162 GLU D O 1 ATOM 5687 C CB . GLU D 4 163 ? -7.910 58.929 -7.295 1.00 32.21 ? 162 GLU D CB 1 ATOM 5688 C CG . GLU D 4 163 ? -7.400 59.340 -8.708 1.00 33.41 ? 162 GLU D CG 1 ATOM 5689 C CD . GLU D 4 163 ? -5.921 59.063 -8.920 1.00 36.57 ? 162 GLU D CD 1 ATOM 5690 O OE1 . GLU D 4 163 ? -5.247 58.550 -8.003 1.00 36.74 ? 162 GLU D OE1 1 ATOM 5691 O OE2 . GLU D 4 163 ? -5.435 59.357 -10.030 1.00 39.03 ? 162 GLU D OE2 1 ATOM 5692 N N . VAL D 4 164 ? -10.740 58.897 -8.990 1.00 31.01 ? 163 VAL D N 1 ATOM 5693 C CA . VAL D 4 164 ? -11.563 58.077 -9.906 1.00 31.83 ? 163 VAL D CA 1 ATOM 5694 C C . VAL D 4 164 ? -10.827 57.906 -11.244 1.00 31.08 ? 163 VAL D C 1 ATOM 5695 O O . VAL D 4 164 ? -10.099 58.809 -11.671 1.00 29.82 ? 163 VAL D O 1 ATOM 5696 C CB . VAL D 4 164 ? -13.018 58.651 -10.101 1.00 32.50 ? 163 VAL D CB 1 ATOM 5697 C CG1 . VAL D 4 164 ? -13.742 58.740 -8.764 1.00 34.26 ? 163 VAL D CG1 1 ATOM 5698 C CG2 . VAL D 4 164 ? -13.027 60.022 -10.736 1.00 29.17 ? 163 VAL D CG2 1 ATOM 5699 N N . HIS D 4 165 ? -10.988 56.740 -11.863 1.00 31.18 ? 164 HIS D N 1 ATOM 5700 C CA . HIS D 4 165 ? -10.397 56.436 -13.154 1.00 31.18 ? 164 HIS D CA 1 ATOM 5701 C C . HIS D 4 165 ? -11.475 56.093 -14.168 1.00 32.06 ? 164 HIS D C 1 ATOM 5702 O O . HIS D 4 165 ? -11.339 56.427 -15.344 1.00 32.74 ? 164 HIS D O 1 ATOM 5703 C CB . HIS D 4 165 ? -9.407 55.253 -13.037 1.00 32.58 ? 164 HIS D CB 1 ATOM 5704 C CG . HIS D 4 165 ? -8.274 55.521 -12.097 1.00 33.92 ? 164 HIS D CG 1 ATOM 5705 N ND1 . HIS D 4 165 ? -7.220 56.358 -12.418 1.00 34.15 ? 164 HIS D ND1 1 ATOM 5706 C CD2 . HIS D 4 165 ? -8.055 55.106 -10.828 1.00 34.96 ? 164 HIS D CD2 1 ATOM 5707 C CE1 . HIS D 4 165 ? -6.394 56.432 -11.391 1.00 34.47 ? 164 HIS D CE1 1 ATOM 5708 N NE2 . HIS D 4 165 ? -6.875 55.677 -10.416 1.00 36.45 ? 164 HIS D NE2 1 ATOM 5709 N N . SER D 4 166 ? -12.523 55.409 -13.723 1.00 31.91 ? 165 SER D N 1 ATOM 5710 C CA . SER D 4 166 ? -13.653 55.096 -14.576 1.00 33.77 ? 165 SER D CA 1 ATOM 5711 C C . SER D 4 166 ? -14.309 56.378 -15.088 1.00 32.75 ? 165 SER D C 1 ATOM 5712 O O . SER D 4 166 ? -14.482 57.327 -14.328 1.00 31.34 ? 165 SER D O 1 ATOM 5713 C CB . SER D 4 166 ? -14.679 54.252 -13.816 1.00 35.09 ? 165 SER D CB 1 ATOM 5714 O OG . SER D 4 166 ? -15.836 54.067 -14.609 1.00 38.93 ? 165 SER D OG 1 ATOM 5715 N N . GLY D 4 167 ? -14.638 56.404 -16.384 1.00 33.48 ? 166 GLY D N 1 ATOM 5716 C CA . GLY D 4 167 ? -15.290 57.552 -17.005 1.00 32.62 ? 166 GLY D CA 1 ATOM 5717 C C . GLY D 4 167 ? -14.345 58.712 -17.298 1.00 31.47 ? 166 GLY D C 1 ATOM 5718 O O . GLY D 4 167 ? -14.800 59.801 -17.638 1.00 31.03 ? 166 GLY D O 1 ATOM 5719 N N . VAL D 4 168 ? -13.037 58.489 -17.193 1.00 31.51 ? 167 VAL D N 1 ATOM 5720 C CA . VAL D 4 168 ? -12.047 59.550 -17.423 1.00 31.17 ? 167 VAL D CA 1 ATOM 5721 C C . VAL D 4 168 ? -11.257 59.342 -18.719 1.00 32.74 ? 167 VAL D C 1 ATOM 5722 O O . VAL D 4 168 ? -10.850 58.222 -19.023 1.00 34.58 ? 167 VAL D O 1 ATOM 5723 C CB . VAL D 4 168 ? -11.000 59.590 -16.266 1.00 30.20 ? 167 VAL D CB 1 ATOM 5724 C CG1 . VAL D 4 168 ? -9.809 60.519 -16.608 1.00 29.62 ? 167 VAL D CG1 1 ATOM 5725 C CG2 . VAL D 4 168 ? -11.642 59.992 -14.953 1.00 28.47 ? 167 VAL D CG2 1 ATOM 5726 N N A CYS D 4 169 ? -11.052 60.420 -19.464 0.50 32.49 ? 168 CYS D N 1 ATOM 5727 N N B CYS D 4 169 ? -11.052 60.395 -19.507 0.50 32.85 ? 168 CYS D N 1 ATOM 5728 C CA A CYS D 4 169 ? -10.005 60.441 -20.477 0.50 33.60 ? 168 CYS D CA 1 ATOM 5729 C CA B CYS D 4 169 ? -9.936 60.381 -20.477 0.50 34.23 ? 168 CYS D CA 1 ATOM 5730 C C A CYS D 4 169 ? -9.249 61.761 -20.392 0.50 32.60 ? 168 CYS D C 1 ATOM 5731 C C B CYS D 4 169 ? -9.242 61.725 -20.647 0.50 33.29 ? 168 CYS D C 1 ATOM 5732 O O A CYS D 4 169 ? -9.853 62.818 -20.225 0.50 31.92 ? 168 CYS D O 1 ATOM 5733 O O B CYS D 4 169 ? -9.870 62.749 -20.917 0.50 33.21 ? 168 CYS D O 1 ATOM 5734 C CB A CYS D 4 169 ? -10.563 60.230 -21.886 0.50 35.21 ? 168 CYS D CB 1 ATOM 5735 C CB B CYS D 4 169 ? -10.268 59.738 -21.839 0.50 36.19 ? 168 CYS D CB 1 ATOM 5736 S SG A CYS D 4 169 ? -9.366 59.474 -23.033 0.50 36.66 ? 168 CYS D SG 1 ATOM 5737 S SG B CYS D 4 169 ? -11.212 60.701 -23.057 0.50 38.78 ? 168 CYS D SG 1 ATOM 5738 N N . THR D 4 170 ? -7.925 61.678 -20.489 1.00 33.16 ? 169 THR D N 1 ATOM 5739 C CA . THR D 4 170 ? -7.056 62.853 -20.536 1.00 32.35 ? 169 THR D CA 1 ATOM 5740 C C . THR D 4 170 ? -6.292 62.786 -21.839 1.00 34.04 ? 169 THR D C 1 ATOM 5741 O O . THR D 4 170 ? -5.853 61.701 -22.211 1.00 35.10 ? 169 THR D O 1 ATOM 5742 C CB . THR D 4 170 ? -6.099 62.800 -19.360 1.00 31.02 ? 169 THR D CB 1 ATOM 5743 O OG1 . THR D 4 170 ? -6.876 62.860 -18.146 1.00 30.48 ? 169 THR D OG1 1 ATOM 5744 C CG2 . THR D 4 170 ? -5.086 63.949 -19.417 1.00 28.94 ? 169 THR D CG2 1 ATOM 5745 N N . ASP D 4 171 ? -6.153 63.923 -22.534 1.00 34.74 ? 170 ASP D N 1 ATOM 5746 C CA . ASP D 4 171 ? -5.366 64.006 -23.777 1.00 37.09 ? 170 ASP D CA 1 ATOM 5747 C C . ASP D 4 171 ? -4.030 63.293 -23.568 1.00 37.81 ? 170 ASP D C 1 ATOM 5748 O O . ASP D 4 171 ? -3.412 63.470 -22.521 1.00 36.31 ? 170 ASP D O 1 ATOM 5749 C CB . ASP D 4 171 ? -5.078 65.468 -24.179 1.00 36.87 ? 170 ASP D CB 1 ATOM 5750 C CG . ASP D 4 171 ? -6.329 66.335 -24.243 1.00 37.60 ? 170 ASP D CG 1 ATOM 5751 O OD1 . ASP D 4 171 ? -7.441 65.810 -24.446 1.00 39.75 ? 170 ASP D OD1 1 ATOM 5752 O OD2 . ASP D 4 171 ? -6.206 67.561 -24.075 1.00 36.78 ? 170 ASP D OD2 1 ATOM 5753 N N . PRO D 4 172 ? -3.575 62.502 -24.562 1.00 40.83 ? 171 PRO D N 1 ATOM 5754 C CA . PRO D 4 172 ? -2.330 61.756 -24.372 1.00 42.53 ? 171 PRO D CA 1 ATOM 5755 C C . PRO D 4 172 ? -1.155 62.697 -24.224 1.00 43.31 ? 171 PRO D C 1 ATOM 5756 O O . PRO D 4 172 ? -0.261 62.433 -23.435 1.00 44.61 ? 171 PRO D O 1 ATOM 5757 C CB . PRO D 4 172 ? -2.183 60.946 -25.674 1.00 44.99 ? 171 PRO D CB 1 ATOM 5758 C CG . PRO D 4 172 ? -3.434 61.167 -26.453 1.00 45.16 ? 171 PRO D CG 1 ATOM 5759 C CD . PRO D 4 172 ? -4.025 62.452 -25.965 1.00 42.95 ? 171 PRO D CD 1 ATOM 5760 N N . GLN D 4 173 ? -1.166 63.802 -24.956 1.00 44.84 ? 172 GLN D N 1 ATOM 5761 C CA . GLN D 4 173 ? -0.093 64.794 -24.858 1.00 45.57 ? 172 GLN D CA 1 ATOM 5762 C C . GLN D 4 173 ? -0.677 66.212 -24.764 1.00 44.93 ? 172 GLN D C 1 ATOM 5763 O O . GLN D 4 173 ? -1.720 66.496 -25.361 1.00 44.86 ? 172 GLN D O 1 ATOM 5764 C CB . GLN D 4 173 ? 0.858 64.669 -26.065 1.00 48.71 ? 172 GLN D CB 1 ATOM 5765 N N . PRO D 4 174 ? -0.029 67.094 -23.980 1.00 44.50 ? 173 PRO D N 1 ATOM 5766 C CA . PRO D 4 174 ? -0.432 68.507 -23.924 1.00 43.81 ? 173 PRO D CA 1 ATOM 5767 C C . PRO D 4 174 ? -0.312 69.184 -25.275 1.00 45.72 ? 173 PRO D C 1 ATOM 5768 O O . PRO D 4 174 ? 0.473 68.731 -26.112 1.00 47.95 ? 173 PRO D O 1 ATOM 5769 C CB . PRO D 4 174 ? 0.576 69.118 -22.959 1.00 43.37 ? 173 PRO D CB 1 ATOM 5770 C CG . PRO D 4 174 ? 0.931 67.971 -22.019 1.00 42.82 ? 173 PRO D CG 1 ATOM 5771 C CD . PRO D 4 174 ? 0.964 66.759 -22.933 1.00 43.65 ? 173 PRO D CD 1 ATOM 5772 N N . LEU D 4 175 ? -1.094 70.238 -25.505 1.00 45.16 ? 174 LEU D N 1 ATOM 5773 C CA . LEU D 4 175 ? -0.981 70.999 -26.753 1.00 47.22 ? 174 LEU D CA 1 ATOM 5774 C C . LEU D 4 175 ? -0.251 72.350 -26.586 1.00 47.43 ? 174 LEU D C 1 ATOM 5775 O O . LEU D 4 175 ? -0.251 72.945 -25.507 1.00 46.05 ? 174 LEU D O 1 ATOM 5776 C CB . LEU D 4 175 ? -2.345 71.154 -27.435 1.00 48.03 ? 174 LEU D CB 1 ATOM 5777 C CG . LEU D 4 175 ? -3.496 71.952 -26.829 1.00 47.82 ? 174 LEU D CG 1 ATOM 5778 C CD1 . LEU D 4 175 ? -3.229 73.431 -26.998 1.00 51.36 ? 174 LEU D CD1 1 ATOM 5779 C CD2 . LEU D 4 175 ? -4.801 71.585 -27.548 1.00 49.77 ? 174 LEU D CD2 1 ATOM 5780 N N . LYS D 4 176 ? 0.370 72.825 -27.659 1.00 49.29 ? 175 LYS D N 1 ATOM 5781 C CA . LYS D 4 176 ? 1.135 74.061 -27.626 1.00 49.67 ? 175 LYS D CA 1 ATOM 5782 C C . LYS D 4 176 ? 0.226 75.264 -27.852 1.00 50.08 ? 175 LYS D C 1 ATOM 5783 O O . LYS D 4 176 ? -0.516 75.323 -28.827 1.00 51.33 ? 175 LYS D O 1 ATOM 5784 C CB . LYS D 4 176 ? 2.249 74.024 -28.672 1.00 52.67 ? 175 LYS D CB 1 ATOM 5785 C CG . LYS D 4 176 ? 3.392 73.076 -28.328 1.00 52.82 ? 175 LYS D CG 1 ATOM 5786 C CD . LYS D 4 176 ? 4.555 73.247 -29.303 1.00 58.30 ? 175 LYS D CD 1 ATOM 5787 C CE . LYS D 4 176 ? 5.795 72.518 -28.800 1.00 58.37 ? 175 LYS D CE 1 ATOM 5788 N NZ . LYS D 4 176 ? 6.908 72.616 -29.774 1.00 63.09 ? 175 LYS D NZ 1 ATOM 5789 N N . GLU D 4 177 ? 0.292 76.222 -26.935 1.00 48.91 ? 176 GLU D N 1 ATOM 5790 C CA . GLU D 4 177 ? -0.546 77.414 -26.995 1.00 49.70 ? 176 GLU D CA 1 ATOM 5791 C C . GLU D 4 177 ? -0.045 78.399 -28.040 1.00 53.52 ? 176 GLU D C 1 ATOM 5792 O O . GLU D 4 177 ? -0.834 79.146 -28.620 1.00 55.00 ? 176 GLU D O 1 ATOM 5793 C CB . GLU D 4 177 ? -0.610 78.071 -25.621 1.00 47.64 ? 176 GLU D CB 1 ATOM 5794 C CG . GLU D 4 177 ? -0.923 77.068 -24.527 1.00 43.49 ? 176 GLU D CG 1 ATOM 5795 C CD . GLU D 4 177 ? -1.282 77.702 -23.199 1.00 39.95 ? 176 GLU D CD 1 ATOM 5796 O OE1 . GLU D 4 177 ? -0.875 78.844 -22.921 1.00 39.30 ? 176 GLU D OE1 1 ATOM 5797 O OE2 . GLU D 4 177 ? -1.955 77.027 -22.412 1.00 36.50 ? 176 GLU D OE2 1 ATOM 5798 N N . GLN D 4 178 ? 1.273 78.402 -28.248 1.00 55.04 ? 177 GLN D N 1 ATOM 5799 C CA . GLN D 4 178 ? 1.917 79.166 -29.319 1.00 59.30 ? 177 GLN D CA 1 ATOM 5800 C C . GLN D 4 178 ? 2.936 78.285 -30.068 1.00 60.45 ? 177 GLN D C 1 ATOM 5801 O O . GLN D 4 178 ? 4.140 78.381 -29.813 1.00 60.72 ? 177 GLN D O 1 ATOM 5802 C CB . GLN D 4 178 ? 2.611 80.428 -28.771 1.00 60.45 ? 177 GLN D CB 1 ATOM 5803 C CG . GLN D 4 178 ? 1.727 81.404 -27.986 1.00 62.03 ? 177 GLN D CG 1 ATOM 5804 C CD . GLN D 4 178 ? 0.788 82.209 -28.872 1.00 67.51 ? 177 GLN D CD 1 ATOM 5805 O OE1 . GLN D 4 178 ? 1.222 83.059 -29.654 1.00 73.86 ? 177 GLN D OE1 1 ATOM 5806 N NE2 . GLN D 4 178 ? -0.510 81.955 -28.740 1.00 67.83 ? 177 GLN D NE2 1 ATOM 5807 N N . PRO D 4 179 ? 2.457 77.428 -30.995 1.00 61.57 ? 178 PRO D N 1 ATOM 5808 C CA . PRO D 4 179 ? 3.300 76.541 -31.821 1.00 63.38 ? 178 PRO D CA 1 ATOM 5809 C C . PRO D 4 179 ? 4.468 77.241 -32.531 1.00 66.76 ? 178 PRO D C 1 ATOM 5810 O O . PRO D 4 179 ? 5.528 76.643 -32.687 1.00 67.23 ? 178 PRO D O 1 ATOM 5811 C CB . PRO D 4 179 ? 2.318 75.992 -32.861 1.00 64.58 ? 178 PRO D CB 1 ATOM 5812 C CG . PRO D 4 179 ? 1.006 76.040 -32.197 1.00 62.78 ? 178 PRO D CG 1 ATOM 5813 C CD . PRO D 4 179 ? 1.028 77.264 -31.319 1.00 61.65 ? 178 PRO D CD 1 ATOM 5814 N N . ALA D 4 180 ? 4.271 78.489 -32.951 1.00 69.62 ? 179 ALA D N 1 ATOM 5815 C CA . ALA D 4 180 ? 5.332 79.270 -33.615 1.00 73.79 ? 179 ALA D CA 1 ATOM 5816 C C . ALA D 4 180 ? 6.512 79.618 -32.698 1.00 73.35 ? 179 ALA D C 1 ATOM 5817 O O . ALA D 4 180 ? 7.586 79.971 -33.178 1.00 76.30 ? 179 ALA D O 1 ATOM 5818 C CB . ALA D 4 180 ? 4.754 80.545 -34.239 1.00 76.51 ? 179 ALA D CB 1 ATOM 5819 N N . LEU D 4 181 ? 6.311 79.508 -31.385 1.00 70.42 ? 180 LEU D N 1 ATOM 5820 C CA . LEU D 4 181 ? 7.292 79.989 -30.414 1.00 70.22 ? 180 LEU D CA 1 ATOM 5821 C C . LEU D 4 181 ? 8.200 78.901 -29.832 1.00 68.65 ? 180 LEU D C 1 ATOM 5822 O O . LEU D 4 181 ? 7.805 77.736 -29.722 1.00 66.60 ? 180 LEU D O 1 ATOM 5823 C CB . LEU D 4 181 ? 6.595 80.769 -29.289 1.00 68.46 ? 180 LEU D CB 1 ATOM 5824 C CG . LEU D 4 181 ? 6.155 82.208 -29.586 1.00 71.42 ? 180 LEU D CG 1 ATOM 5825 C CD1 . LEU D 4 181 ? 5.437 82.788 -28.375 1.00 69.77 ? 180 LEU D CD1 1 ATOM 5826 C CD2 . LEU D 4 181 ? 7.338 83.097 -29.998 1.00 75.53 ? 180 LEU D CD2 1 ATOM 5827 N N . ASN D 4 182 ? 9.412 79.313 -29.454 1.00 69.90 ? 181 ASN D N 1 ATOM 5828 C CA . ASN D 4 182 ? 10.455 78.415 -28.965 1.00 69.17 ? 181 ASN D CA 1 ATOM 5829 C C . ASN D 4 182 ? 10.051 77.645 -27.712 1.00 65.20 ? 181 ASN D C 1 ATOM 5830 O O . ASN D 4 182 ? 10.051 76.400 -27.690 1.00 64.64 ? 181 ASN D O 1 ATOM 5831 C CB . ASN D 4 182 ? 11.757 79.194 -28.721 1.00 71.39 ? 181 ASN D CB 1 ATOM 5832 N N . ASP D 4 183 ? 9.701 78.374 -26.663 1.00 62.69 ? 182 ASP D N 1 ATOM 5833 C CA . ASP D 4 183 ? 9.389 77.709 -25.412 1.00 58.57 ? 182 ASP D CA 1 ATOM 5834 C C . ASP D 4 183 ? 7.901 77.856 -25.112 1.00 55.34 ? 182 ASP D C 1 ATOM 5835 O O . ASP D 4 183 ? 7.504 78.398 -24.079 1.00 53.60 ? 182 ASP D O 1 ATOM 5836 C CB . ASP D 4 183 ? 10.283 78.248 -24.292 1.00 58.95 ? 182 ASP D CB 1 ATOM 5837 C CG . ASP D 4 183 ? 11.718 77.673 -24.338 1.00 62.23 ? 182 ASP D CG 1 ATOM 5838 O OD1 . ASP D 4 183 ? 12.218 77.367 -25.447 1.00 65.79 ? 182 ASP D OD1 1 ATOM 5839 O OD2 . ASP D 4 183 ? 12.347 77.531 -23.248 1.00 63.47 ? 182 ASP D OD2 1 ATOM 5840 N N . SER D 4 184 ? 7.087 77.378 -26.055 1.00 54.22 ? 183 SER D N 1 ATOM 5841 C CA . SER D 4 184 ? 5.640 77.525 -25.989 1.00 51.17 ? 183 SER D CA 1 ATOM 5842 C C . SER D 4 184 ? 5.144 76.925 -24.702 1.00 47.48 ? 183 SER D C 1 ATOM 5843 O O . SER D 4 184 ? 5.634 75.888 -24.266 1.00 46.56 ? 183 SER D O 1 ATOM 5844 C CB . SER D 4 184 ? 4.945 76.825 -27.160 1.00 51.72 ? 183 SER D CB 1 ATOM 5845 O OG . SER D 4 184 ? 3.531 76.935 -27.049 1.00 47.22 ? 183 SER D OG 1 ATOM 5846 N N . ARG D 4 185 ? 4.178 77.581 -24.088 1.00 45.01 ? 184 ARG D N 1 ATOM 5847 C CA . ARG D 4 185 ? 3.525 76.976 -22.957 1.00 41.88 ? 184 ARG D CA 1 ATOM 5848 C C . ARG D 4 185 ? 2.510 75.938 -23.485 1.00 39.81 ? 184 ARG D C 1 ATOM 5849 O O . ARG D 4 185 ? 2.240 75.868 -24.699 1.00 40.24 ? 184 ARG D O 1 ATOM 5850 C CB . ARG D 4 185 ? 2.932 78.056 -22.028 1.00 41.64 ? 184 ARG D CB 1 ATOM 5851 C CG . ARG D 4 185 ? 4.017 78.858 -21.328 1.00 45.10 ? 184 ARG D CG 1 ATOM 5852 C CD . ARG D 4 185 ? 3.535 80.156 -20.683 1.00 52.12 ? 184 ARG D CD 1 ATOM 5853 N NE . ARG D 4 185 ? 4.622 80.778 -19.900 1.00 58.10 ? 184 ARG D NE 1 ATOM 5854 C CZ . ARG D 4 185 ? 4.502 81.857 -19.110 1.00 59.94 ? 184 ARG D CZ 1 ATOM 5855 N NH1 . ARG D 4 185 ? 3.328 82.473 -18.974 1.00 60.77 ? 184 ARG D NH1 1 ATOM 5856 N NH2 . ARG D 4 185 ? 5.561 82.318 -18.444 1.00 58.38 ? 184 ARG D NH2 1 ATOM 5857 N N . TYR D 4 186 ? 1.993 75.113 -22.578 1.00 36.58 ? 185 TYR D N 1 ATOM 5858 C CA . TYR D 4 186 ? 1.110 74.017 -22.938 1.00 35.56 ? 185 TYR D CA 1 ATOM 5859 C C . TYR D 4 186 ? -0.265 74.130 -22.333 1.00 34.30 ? 185 TYR D C 1 ATOM 5860 O O . TYR D 4 186 ? -0.439 74.743 -21.292 1.00 33.70 ? 185 TYR D O 1 ATOM 5861 C CB . TYR D 4 186 ? 1.695 72.700 -22.472 1.00 34.26 ? 185 TYR D CB 1 ATOM 5862 C CG . TYR D 4 186 ? 3.024 72.375 -23.080 1.00 35.96 ? 185 TYR D CG 1 ATOM 5863 C CD1 . TYR D 4 186 ? 3.095 71.662 -24.283 1.00 37.69 ? 185 TYR D CD1 1 ATOM 5864 C CD2 . TYR D 4 186 ? 4.214 72.768 -22.462 1.00 35.56 ? 185 TYR D CD2 1 ATOM 5865 C CE1 . TYR D 4 186 ? 4.302 71.336 -24.855 1.00 38.86 ? 185 TYR D CE1 1 ATOM 5866 C CE2 . TYR D 4 186 ? 5.452 72.455 -23.041 1.00 38.63 ? 185 TYR D CE2 1 ATOM 5867 C CZ . TYR D 4 186 ? 5.476 71.727 -24.239 1.00 39.65 ? 185 TYR D CZ 1 ATOM 5868 O OH . TYR D 4 186 ? 6.671 71.394 -24.842 1.00 43.21 ? 185 TYR D OH 1 ATOM 5869 N N . SER D 4 187 ? -1.232 73.496 -22.982 1.00 34.77 ? 186 SER D N 1 ATOM 5870 C CA . SER D 4 187 ? -2.528 73.213 -22.377 1.00 34.26 ? 186 SER D CA 1 ATOM 5871 C C . SER D 4 187 ? -2.758 71.719 -22.400 1.00 33.79 ? 186 SER D C 1 ATOM 5872 O O . SER D 4 187 ? -2.235 71.027 -23.254 1.00 35.19 ? 186 SER D O 1 ATOM 5873 C CB . SER D 4 187 ? -3.669 73.877 -23.152 1.00 35.14 ? 186 SER D CB 1 ATOM 5874 O OG . SER D 4 187 ? -3.624 75.274 -23.042 1.00 37.42 ? 186 SER D OG 1 ATOM 5875 N N . LEU D 4 188 ? -3.592 71.238 -21.494 1.00 32.74 ? 187 LEU D N 1 ATOM 5876 C CA . LEU D 4 188 ? -3.981 69.837 -21.474 1.00 32.52 ? 187 LEU D CA 1 ATOM 5877 C C . LEU D 4 188 ? -5.430 69.786 -21.021 1.00 31.91 ? 187 LEU D C 1 ATOM 5878 O O . LEU D 4 188 ? -5.798 70.472 -20.043 1.00 31.66 ? 187 LEU D O 1 ATOM 5879 C CB . LEU D 4 188 ? -3.117 69.069 -20.471 1.00 30.85 ? 187 LEU D CB 1 ATOM 5880 C CG . LEU D 4 188 ? -3.454 67.593 -20.243 1.00 31.75 ? 187 LEU D CG 1 ATOM 5881 C CD1 . LEU D 4 188 ? -2.909 66.751 -21.354 1.00 32.55 ? 187 LEU D CD1 1 ATOM 5882 C CD2 . LEU D 4 188 ? -2.913 67.090 -18.914 1.00 32.15 ? 187 LEU D CD2 1 ATOM 5883 N N . SER D 4 189 ? -6.258 68.984 -21.685 1.00 31.75 ? 188 SER D N 1 ATOM 5884 C CA . SER D 4 189 ? -7.621 68.804 -21.167 1.00 31.27 ? 188 SER D CA 1 ATOM 5885 C C . SER D 4 189 ? -7.916 67.387 -20.732 1.00 30.65 ? 188 SER D C 1 ATOM 5886 O O . SER D 4 189 ? -7.262 66.440 -21.158 1.00 31.21 ? 188 SER D O 1 ATOM 5887 C CB . SER D 4 189 ? -8.664 69.210 -22.180 1.00 32.41 ? 188 SER D CB 1 ATOM 5888 O OG . SER D 4 189 ? -8.720 68.235 -23.202 1.00 35.93 ? 188 SER D OG 1 ATOM 5889 N N . SER D 4 190 ? -8.947 67.249 -19.907 1.00 29.93 ? 189 SER D N 1 ATOM 5890 C CA . SER D 4 190 ? -9.408 65.948 -19.474 1.00 28.88 ? 189 SER D CA 1 ATOM 5891 C C . SER D 4 190 ? -10.914 66.000 -19.313 1.00 29.01 ? 189 SER D C 1 ATOM 5892 O O . SER D 4 190 ? -11.479 67.066 -19.061 1.00 29.02 ? 189 SER D O 1 ATOM 5893 C CB . SER D 4 190 ? -8.760 65.593 -18.141 1.00 27.14 ? 189 SER D CB 1 ATOM 5894 O OG . SER D 4 190 ? -9.025 64.255 -17.810 1.00 25.52 ? 189 SER D OG 1 ATOM 5895 N N . ARG D 4 191 ? -11.549 64.844 -19.452 1.00 29.35 ? 190 ARG D N 1 ATOM 5896 C CA . ARG D 4 191 ? -12.976 64.715 -19.243 1.00 30.33 ? 190 ARG D CA 1 ATOM 5897 C C . ARG D 4 191 ? -13.258 63.695 -18.159 1.00 29.89 ? 190 ARG D C 1 ATOM 5898 O O . ARG D 4 191 ? -12.599 62.646 -18.082 1.00 30.10 ? 190 ARG D O 1 ATOM 5899 C CB . ARG D 4 191 ? -13.689 64.267 -20.516 1.00 32.10 ? 190 ARG D CB 1 ATOM 5900 C CG . ARG D 4 191 ? -13.266 64.993 -21.795 1.00 36.68 ? 190 ARG D CG 1 ATOM 5901 C CD . ARG D 4 191 ? -12.209 64.141 -22.490 1.00 39.14 ? 190 ARG D CD 1 ATOM 5902 N NE . ARG D 4 191 ? -11.909 64.500 -23.870 1.00 42.81 ? 190 ARG D NE 1 ATOM 5903 C CZ . ARG D 4 191 ? -10.798 65.126 -24.241 1.00 43.45 ? 190 ARG D CZ 1 ATOM 5904 N NH1 . ARG D 4 191 ? -9.900 65.484 -23.328 1.00 41.73 ? 190 ARG D NH1 1 ATOM 5905 N NH2 . ARG D 4 191 ? -10.581 65.388 -25.518 1.00 44.22 ? 190 ARG D NH2 1 ATOM 5906 N N . LEU D 4 192 ? -14.242 64.006 -17.323 1.00 29.61 ? 191 LEU D N 1 ATOM 5907 C CA . LEU D 4 192 ? -14.809 63.022 -16.408 1.00 30.00 ? 191 LEU D CA 1 ATOM 5908 C C . LEU D 4 192 ? -16.295 62.949 -16.687 1.00 31.13 ? 191 LEU D C 1 ATOM 5909 O O . LEU D 4 192 ? -17.006 63.940 -16.554 1.00 31.62 ? 191 LEU D O 1 ATOM 5910 C CB . LEU D 4 192 ? -14.548 63.377 -14.949 1.00 28.54 ? 191 LEU D CB 1 ATOM 5911 C CG . LEU D 4 192 ? -15.313 62.549 -13.905 1.00 29.28 ? 191 LEU D CG 1 ATOM 5912 C CD1 . LEU D 4 192 ? -14.974 61.055 -13.983 1.00 29.85 ? 191 LEU D CD1 1 ATOM 5913 C CD2 . LEU D 4 192 ? -15.029 63.088 -12.504 1.00 25.01 ? 191 LEU D CD2 1 ATOM 5914 N N . ARG D 4 193 ? -16.761 61.777 -17.091 1.00 32.34 ? 192 ARG D N 1 ATOM 5915 C CA . ARG D 4 193 ? -18.174 61.611 -17.387 1.00 33.63 ? 192 ARG D CA 1 ATOM 5916 C C . ARG D 4 193 ? -18.849 60.769 -16.322 1.00 34.55 ? 192 ARG D C 1 ATOM 5917 O O . ARG D 4 193 ? -18.388 59.674 -15.996 1.00 34.77 ? 192 ARG D O 1 ATOM 5918 C CB . ARG D 4 193 ? -18.373 60.972 -18.765 1.00 35.14 ? 192 ARG D CB 1 ATOM 5919 C CG . ARG D 4 193 ? -19.817 61.065 -19.275 1.00 34.92 ? 192 ARG D CG 1 ATOM 5920 C CD . ARG D 4 193 ? -19.919 60.748 -20.752 1.00 35.44 ? 192 ARG D CD 1 ATOM 5921 N NE . ARG D 4 193 ? -21.021 61.482 -21.386 1.00 37.08 ? 192 ARG D NE 1 ATOM 5922 C CZ . ARG D 4 193 ? -21.382 61.343 -22.656 1.00 38.17 ? 192 ARG D CZ 1 ATOM 5923 N NH1 . ARG D 4 193 ? -22.387 62.061 -23.148 1.00 38.59 ? 192 ARG D NH1 1 ATOM 5924 N NH2 . ARG D 4 193 ? -20.743 60.485 -23.437 1.00 37.23 ? 192 ARG D NH2 1 ATOM 5925 N N . VAL D 4 194 ? -19.950 61.287 -15.793 1.00 34.90 ? 193 VAL D N 1 ATOM 5926 C CA . VAL D 4 194 ? -20.734 60.575 -14.803 1.00 35.88 ? 193 VAL D CA 1 ATOM 5927 C C . VAL D 4 194 ? -22.194 60.531 -15.261 1.00 38.12 ? 193 VAL D C 1 ATOM 5928 O O . VAL D 4 194 ? -22.584 61.210 -16.227 1.00 38.38 ? 193 VAL D O 1 ATOM 5929 C CB . VAL D 4 194 ? -20.596 61.230 -13.398 1.00 35.49 ? 193 VAL D CB 1 ATOM 5930 C CG1 . VAL D 4 194 ? -19.122 61.186 -12.907 1.00 32.84 ? 193 VAL D CG1 1 ATOM 5931 C CG2 . VAL D 4 194 ? -21.070 62.671 -13.417 1.00 34.82 ? 193 VAL D CG2 1 ATOM 5932 N N . SER D 4 195 ? -23.006 59.726 -14.585 1.00 39.12 ? 194 SER D N 1 ATOM 5933 C CA . SER D 4 195 ? -24.449 59.796 -14.780 1.00 40.93 ? 194 SER D CA 1 ATOM 5934 C C . SER D 4 195 ? -24.980 61.140 -14.262 1.00 40.91 ? 194 SER D C 1 ATOM 5935 O O . SER D 4 195 ? -24.444 61.708 -13.308 1.00 39.40 ? 194 SER D O 1 ATOM 5936 C CB . SER D 4 195 ? -25.135 58.655 -14.033 1.00 42.37 ? 194 SER D CB 1 ATOM 5937 O OG . SER D 4 195 ? -24.919 58.792 -12.641 1.00 41.27 ? 194 SER D OG 1 ATOM 5938 N N . ALA D 4 196 ? -26.042 61.634 -14.895 1.00 43.05 ? 195 ALA D N 1 ATOM 5939 C CA . ALA D 4 196 ? -26.688 62.873 -14.485 1.00 43.36 ? 195 ALA D CA 1 ATOM 5940 C C . ALA D 4 196 ? -26.948 62.878 -12.980 1.00 43.97 ? 195 ALA D C 1 ATOM 5941 O O . ALA D 4 196 ? -26.586 63.840 -12.295 1.00 43.14 ? 195 ALA D O 1 ATOM 5942 C CB . ALA D 4 196 ? -27.973 63.066 -15.245 1.00 45.46 ? 195 ALA D CB 1 ATOM 5943 N N . THR D 4 197 ? -27.529 61.793 -12.464 1.00 45.01 ? 196 THR D N 1 ATOM 5944 C CA . THR D 4 197 ? -27.918 61.748 -11.054 1.00 46.25 ? 196 THR D CA 1 ATOM 5945 C C . THR D 4 197 ? -26.722 61.822 -10.089 1.00 44.14 ? 196 THR D C 1 ATOM 5946 O O . THR D 4 197 ? -26.855 62.326 -8.975 1.00 45.05 ? 196 THR D O 1 ATOM 5947 C CB . THR D 4 197 ? -28.823 60.524 -10.704 1.00 48.27 ? 196 THR D CB 1 ATOM 5948 O OG1 . THR D 4 197 ? -28.057 59.327 -10.793 1.00 48.90 ? 196 THR D OG1 1 ATOM 5949 C CG2 . THR D 4 197 ? -30.009 60.417 -11.649 1.00 50.61 ? 196 THR D CG2 1 ATOM 5950 N N . PHE D 4 198 ? -25.568 61.322 -10.514 1.00 42.38 ? 197 PHE D N 1 ATOM 5951 C CA . PHE D 4 198 ? -24.337 61.473 -9.740 1.00 40.58 ? 197 PHE D CA 1 ATOM 5952 C C . PHE D 4 198 ? -23.896 62.939 -9.711 1.00 39.41 ? 197 PHE D C 1 ATOM 5953 O O . PHE D 4 198 ? -23.606 63.474 -8.639 1.00 38.49 ? 197 PHE D O 1 ATOM 5954 C CB . PHE D 4 198 ? -23.217 60.581 -10.292 1.00 39.85 ? 197 PHE D CB 1 ATOM 5955 C CG . PHE D 4 198 ? -22.054 60.404 -9.341 1.00 40.02 ? 197 PHE D CG 1 ATOM 5956 C CD1 . PHE D 4 198 ? -20.917 61.204 -9.450 1.00 39.35 ? 197 PHE D CD1 1 ATOM 5957 C CD2 . PHE D 4 198 ? -22.098 59.440 -8.336 1.00 42.41 ? 197 PHE D CD2 1 ATOM 5958 C CE1 . PHE D 4 198 ? -19.827 61.041 -8.567 1.00 39.65 ? 197 PHE D CE1 1 ATOM 5959 C CE2 . PHE D 4 198 ? -21.020 59.270 -7.454 1.00 43.06 ? 197 PHE D CE2 1 ATOM 5960 C CZ . PHE D 4 198 ? -19.882 60.075 -7.569 1.00 40.33 ? 197 PHE D CZ 1 ATOM 5961 N N . TRP D 4 199 ? -23.861 63.582 -10.886 1.00 38.53 ? 198 TRP D N 1 ATOM 5962 C CA . TRP D 4 199 ? -23.593 65.019 -10.969 1.00 37.74 ? 198 TRP D CA 1 ATOM 5963 C C . TRP D 4 199 ? -24.639 65.847 -10.226 1.00 39.60 ? 198 TRP D C 1 ATOM 5964 O O . TRP D 4 199 ? -24.327 66.880 -9.663 1.00 39.84 ? 198 TRP D O 1 ATOM 5965 C CB . TRP D 4 199 ? -23.542 65.514 -12.430 1.00 37.57 ? 198 TRP D CB 1 ATOM 5966 C CG . TRP D 4 199 ? -23.568 67.042 -12.493 1.00 36.85 ? 198 TRP D CG 1 ATOM 5967 C CD1 . TRP D 4 199 ? -24.576 67.820 -12.943 1.00 38.22 ? 198 TRP D CD1 1 ATOM 5968 C CD2 . TRP D 4 199 ? -22.548 67.943 -12.005 1.00 34.93 ? 198 TRP D CD2 1 ATOM 5969 N NE1 . TRP D 4 199 ? -24.253 69.154 -12.800 1.00 38.54 ? 198 TRP D NE1 1 ATOM 5970 C CE2 . TRP D 4 199 ? -23.010 69.258 -12.232 1.00 36.44 ? 198 TRP D CE2 1 ATOM 5971 C CE3 . TRP D 4 199 ? -21.291 67.759 -11.419 1.00 33.18 ? 198 TRP D CE3 1 ATOM 5972 C CZ2 . TRP D 4 199 ? -22.262 70.393 -11.888 1.00 34.62 ? 198 TRP D CZ2 1 ATOM 5973 C CZ3 . TRP D 4 199 ? -20.530 68.892 -11.078 1.00 33.93 ? 198 TRP D CZ3 1 ATOM 5974 C CH2 . TRP D 4 199 ? -21.027 70.188 -11.302 1.00 35.28 ? 198 TRP D CH2 1 ATOM 5975 N N . GLN D 4 200 ? -25.882 65.395 -10.235 1.00 41.50 ? 199 GLN D N 1 ATOM 5976 C CA . GLN D 4 200 ? -26.958 66.157 -9.621 1.00 43.71 ? 199 GLN D CA 1 ATOM 5977 C C . GLN D 4 200 ? -26.928 66.108 -8.098 1.00 44.23 ? 199 GLN D C 1 ATOM 5978 O O . GLN D 4 200 ? -27.629 66.876 -7.444 1.00 46.20 ? 199 GLN D O 1 ATOM 5979 C CB . GLN D 4 200 ? -28.315 65.712 -10.183 1.00 45.79 ? 199 GLN D CB 1 ATOM 5980 C CG . GLN D 4 200 ? -28.500 66.234 -11.608 1.00 45.96 ? 199 GLN D CG 1 ATOM 5981 C CD . GLN D 4 200 ? -29.594 65.543 -12.420 1.00 47.60 ? 199 GLN D CD 1 ATOM 5982 O OE1 . GLN D 4 200 ? -30.172 64.520 -12.022 1.00 48.13 ? 199 GLN D OE1 1 ATOM 5983 N NE2 . GLN D 4 200 ? -29.883 66.118 -13.574 1.00 47.49 ? 199 GLN D NE2 1 ATOM 5984 N N . ASN D 4 201 ? -26.112 65.212 -7.546 1.00 42.98 ? 200 ASN D N 1 ATOM 5985 C CA . ASN D 4 201 ? -26.076 64.992 -6.103 1.00 44.43 ? 200 ASN D CA 1 ATOM 5986 C C . ASN D 4 201 ? -25.187 66.015 -5.418 1.00 43.19 ? 200 ASN D C 1 ATOM 5987 O O . ASN D 4 201 ? -23.967 65.936 -5.542 1.00 41.60 ? 200 ASN D O 1 ATOM 5988 C CB . ASN D 4 201 ? -25.606 63.564 -5.786 1.00 44.52 ? 200 ASN D CB 1 ATOM 5989 C CG . ASN D 4 201 ? -25.659 63.228 -4.289 1.00 48.04 ? 200 ASN D CG 1 ATOM 5990 O OD1 . ASN D 4 201 ? -25.975 64.068 -3.437 1.00 50.41 ? 200 ASN D OD1 1 ATOM 5991 N ND2 . ASN D 4 201 ? -25.338 61.982 -3.972 1.00 50.17 ? 200 ASN D ND2 1 ATOM 5992 N N . PRO D 4 202 ? -25.793 66.974 -4.690 1.00 44.76 ? 201 PRO D N 1 ATOM 5993 C CA . PRO D 4 202 ? -25.053 68.094 -4.094 1.00 44.49 ? 201 PRO D CA 1 ATOM 5994 C C . PRO D 4 202 ? -24.022 67.698 -3.036 1.00 44.51 ? 201 PRO D C 1 ATOM 5995 O O . PRO D 4 202 ? -23.240 68.550 -2.599 1.00 43.88 ? 201 PRO D O 1 ATOM 5996 C CB . PRO D 4 202 ? -26.154 68.975 -3.469 1.00 46.99 ? 201 PRO D CB 1 ATOM 5997 C CG . PRO D 4 202 ? -27.315 68.088 -3.296 1.00 48.67 ? 201 PRO D CG 1 ATOM 5998 C CD . PRO D 4 202 ? -27.238 67.049 -4.391 1.00 47.66 ? 201 PRO D CD 1 ATOM 5999 N N . ARG D 4 203 ? -24.021 66.431 -2.629 1.00 45.15 ? 202 ARG D N 1 ATOM 6000 C CA . ARG D 4 203 ? -22.983 65.934 -1.712 1.00 45.94 ? 202 ARG D CA 1 ATOM 6001 C C . ARG D 4 203 ? -21.763 65.314 -2.411 1.00 43.18 ? 202 ARG D C 1 ATOM 6002 O O . ARG D 4 203 ? -20.822 64.864 -1.761 1.00 42.76 ? 202 ARG D O 1 ATOM 6003 C CB . ARG D 4 203 ? -23.593 64.987 -0.687 1.00 48.66 ? 202 ARG D CB 1 ATOM 6004 C CG . ARG D 4 203 ? -24.617 65.718 0.164 1.00 53.46 ? 202 ARG D CG 1 ATOM 6005 C CD . ARG D 4 203 ? -25.280 64.797 1.121 1.00 59.60 ? 202 ARG D CD 1 ATOM 6006 N NE . ARG D 4 203 ? -24.333 64.274 2.097 1.00 61.47 ? 202 ARG D NE 1 ATOM 6007 C CZ . ARG D 4 203 ? -24.686 63.659 3.216 1.00 65.25 ? 202 ARG D CZ 1 ATOM 6008 N NH1 . ARG D 4 203 ? -25.971 63.507 3.511 1.00 67.86 ? 202 ARG D NH1 1 ATOM 6009 N NH2 . ARG D 4 203 ? -23.751 63.208 4.043 1.00 66.97 ? 202 ARG D NH2 1 ATOM 6010 N N . ASN D 4 204 ? -21.777 65.318 -3.741 1.00 41.62 ? 203 ASN D N 1 ATOM 6011 C CA . ASN D 4 204 ? -20.608 64.923 -4.490 1.00 39.03 ? 203 ASN D CA 1 ATOM 6012 C C . ASN D 4 204 ? -19.725 66.087 -4.827 1.00 37.46 ? 203 ASN D C 1 ATOM 6013 O O . ASN D 4 204 ? -20.150 67.054 -5.465 1.00 37.74 ? 203 ASN D O 1 ATOM 6014 C CB . ASN D 4 204 ? -21.018 64.144 -5.721 1.00 38.71 ? 203 ASN D CB 1 ATOM 6015 C CG . ASN D 4 204 ? -21.563 62.803 -5.354 1.00 40.76 ? 203 ASN D CG 1 ATOM 6016 O OD1 . ASN D 4 204 ? -21.299 62.315 -4.259 1.00 42.69 ? 203 ASN D OD1 1 ATOM 6017 N ND2 . ASN D 4 204 ? -22.333 62.198 -6.241 1.00 43.61 ? 203 ASN D ND2 1 ATOM 6018 N N . HIS D 4 205 ? -18.483 65.981 -4.380 1.00 36.20 ? 204 HIS D N 1 ATOM 6019 C CA . HIS D 4 205 ? -17.513 67.041 -4.530 1.00 34.82 ? 204 HIS D CA 1 ATOM 6020 C C . HIS D 4 205 ? -16.450 66.576 -5.498 1.00 32.71 ? 204 HIS D C 1 ATOM 6021 O O . HIS D 4 205 ? -15.682 65.651 -5.201 1.00 32.81 ? 204 HIS D O 1 ATOM 6022 C CB . HIS D 4 205 ? -16.921 67.372 -3.160 1.00 35.55 ? 204 HIS D CB 1 ATOM 6023 C CG . HIS D 4 205 ? -16.070 68.602 -3.130 1.00 36.64 ? 204 HIS D CG 1 ATOM 6024 N ND1 . HIS D 4 205 ? -15.252 68.908 -2.059 1.00 38.07 ? 204 HIS D ND1 1 ATOM 6025 C CD2 . HIS D 4 205 ? -15.884 69.592 -4.040 1.00 36.83 ? 204 HIS D CD2 1 ATOM 6026 C CE1 . HIS D 4 205 ? -14.620 70.043 -2.301 1.00 38.43 ? 204 HIS D CE1 1 ATOM 6027 N NE2 . HIS D 4 205 ? -14.987 70.480 -3.494 1.00 36.41 ? 204 HIS D NE2 1 ATOM 6028 N N . PHE D 4 206 ? -16.435 67.233 -6.654 1.00 30.80 ? 205 PHE D N 1 ATOM 6029 C CA . PHE D 4 206 ? -15.562 66.927 -7.744 1.00 28.80 ? 205 PHE D CA 1 ATOM 6030 C C . PHE D 4 206 ? -14.396 67.901 -7.764 1.00 28.18 ? 205 PHE D C 1 ATOM 6031 O O . PHE D 4 206 ? -14.581 69.112 -7.606 1.00 28.44 ? 205 PHE D O 1 ATOM 6032 C CB . PHE D 4 206 ? -16.311 67.078 -9.053 1.00 28.67 ? 205 PHE D CB 1 ATOM 6033 C CG . PHE D 4 206 ? -17.506 66.204 -9.168 1.00 30.37 ? 205 PHE D CG 1 ATOM 6034 C CD1 . PHE D 4 206 ? -18.725 66.589 -8.618 1.00 34.17 ? 205 PHE D CD1 1 ATOM 6035 C CD2 . PHE D 4 206 ? -17.423 64.995 -9.827 1.00 30.76 ? 205 PHE D CD2 1 ATOM 6036 C CE1 . PHE D 4 206 ? -19.840 65.779 -8.739 1.00 35.47 ? 205 PHE D CE1 1 ATOM 6037 C CE2 . PHE D 4 206 ? -18.529 64.178 -9.946 1.00 32.94 ? 205 PHE D CE2 1 ATOM 6038 C CZ . PHE D 4 206 ? -19.742 64.578 -9.415 1.00 34.45 ? 205 PHE D CZ 1 ATOM 6039 N N . ARG D 4 207 ? -13.208 67.352 -7.991 1.00 27.40 ? 206 ARG D N 1 ATOM 6040 C CA . ARG D 4 207 ? -11.975 68.128 -8.097 1.00 27.52 ? 206 ARG D CA 1 ATOM 6041 C C . ARG D 4 207 ? -11.089 67.546 -9.196 1.00 26.93 ? 206 ARG D C 1 ATOM 6042 O O . ARG D 4 207 ? -10.892 66.342 -9.271 1.00 26.90 ? 206 ARG D O 1 ATOM 6043 C CB . ARG D 4 207 ? -11.212 68.145 -6.778 1.00 26.37 ? 206 ARG D CB 1 ATOM 6044 C CG . ARG D 4 207 ? -9.972 69.032 -6.826 1.00 26.89 ? 206 ARG D CG 1 ATOM 6045 C CD . ARG D 4 207 ? -9.262 69.093 -5.472 1.00 26.42 ? 206 ARG D CD 1 ATOM 6046 N NE . ARG D 4 207 ? -10.102 69.588 -4.377 1.00 28.23 ? 206 ARG D NE 1 ATOM 6047 C CZ . ARG D 4 207 ? -10.242 70.877 -4.067 1.00 29.70 ? 206 ARG D CZ 1 ATOM 6048 N NH1 . ARG D 4 207 ? -10.974 71.228 -3.029 1.00 29.27 ? 206 ARG D NH1 1 ATOM 6049 N NH2 . ARG D 4 207 ? -9.647 71.819 -4.805 1.00 29.42 ? 206 ARG D NH2 1 ATOM 6050 N N . CYS D 4 208 ? -10.552 68.433 -10.024 1.00 27.76 ? 207 CYS D N 1 ATOM 6051 C CA . CYS D 4 208 ? -9.566 68.096 -11.027 1.00 28.02 ? 207 CYS D CA 1 ATOM 6052 C C . CYS D 4 208 ? -8.254 68.574 -10.461 1.00 27.29 ? 207 CYS D C 1 ATOM 6053 O O . CYS D 4 208 ? -8.138 69.743 -10.161 1.00 26.96 ? 207 CYS D O 1 ATOM 6054 C CB . CYS D 4 208 ? -9.820 68.896 -12.315 1.00 28.67 ? 207 CYS D CB 1 ATOM 6055 S SG . CYS D 4 208 ? -8.448 68.624 -13.462 1.00 35.18 ? 207 CYS D SG 1 ATOM 6056 N N . GLN D 4 209 ? -7.260 67.688 -10.365 1.00 26.75 ? 208 GLN D N 1 ATOM 6057 C CA . GLN D 4 209 ? -5.996 68.033 -9.745 1.00 26.68 ? 208 GLN D CA 1 ATOM 6058 C C . GLN D 4 209 ? -4.882 67.912 -10.756 1.00 26.55 ? 208 GLN D C 1 ATOM 6059 O O . GLN D 4 209 ? -4.789 66.908 -11.468 1.00 26.30 ? 208 GLN D O 1 ATOM 6060 C CB . GLN D 4 209 ? -5.707 67.080 -8.580 1.00 27.30 ? 208 GLN D CB 1 ATOM 6061 C CG . GLN D 4 209 ? -4.300 67.100 -8.137 1.00 27.93 ? 208 GLN D CG 1 ATOM 6062 C CD . GLN D 4 209 ? -4.002 66.118 -7.015 1.00 29.12 ? 208 GLN D CD 1 ATOM 6063 O OE1 . GLN D 4 209 ? -4.480 66.286 -5.913 1.00 31.74 ? 208 GLN D OE1 1 ATOM 6064 N NE2 . GLN D 4 209 ? -3.166 65.123 -7.287 1.00 27.62 ? 208 GLN D NE2 1 ATOM 6065 N N . VAL D 4 210 ? -4.031 68.938 -10.814 1.00 25.76 ? 209 VAL D N 1 ATOM 6066 C CA . VAL D 4 210 ? -2.876 68.885 -11.665 1.00 24.88 ? 209 VAL D CA 1 ATOM 6067 C C . VAL D 4 210 ? -1.608 69.031 -10.858 1.00 24.82 ? 209 VAL D C 1 ATOM 6068 O O . VAL D 4 210 ? -1.356 70.088 -10.282 1.00 25.08 ? 209 VAL D O 1 ATOM 6069 C CB . VAL D 4 210 ? -2.908 69.939 -12.787 1.00 25.90 ? 209 VAL D CB 1 ATOM 6070 C CG1 . VAL D 4 210 ? -1.623 69.828 -13.611 1.00 24.25 ? 209 VAL D CG1 1 ATOM 6071 C CG2 . VAL D 4 210 ? -4.179 69.758 -13.686 1.00 23.57 ? 209 VAL D CG2 1 ATOM 6072 N N . GLN D 4 211 ? -0.824 67.959 -10.823 1.00 23.95 ? 210 GLN D N 1 ATOM 6073 C CA . GLN D 4 211 ? 0.441 67.963 -10.151 1.00 25.02 ? 210 GLN D CA 1 ATOM 6074 C C . GLN D 4 211 ? 1.436 68.424 -11.191 1.00 26.07 ? 210 GLN D C 1 ATOM 6075 O O . GLN D 4 211 ? 1.587 67.768 -12.241 1.00 26.67 ? 210 GLN D O 1 ATOM 6076 C CB . GLN D 4 211 ? 0.801 66.555 -9.670 1.00 25.12 ? 210 GLN D CB 1 ATOM 6077 C CG . GLN D 4 211 ? 2.240 66.408 -9.213 1.00 26.12 ? 210 GLN D CG 1 ATOM 6078 C CD . GLN D 4 211 ? 2.502 67.033 -7.819 1.00 29.21 ? 210 GLN D CD 1 ATOM 6079 O OE1 . GLN D 4 211 ? 3.173 68.080 -7.683 1.00 29.94 ? 210 GLN D OE1 1 ATOM 6080 N NE2 . GLN D 4 211 ? 2.011 66.376 -6.796 1.00 26.18 ? 210 GLN D NE2 1 ATOM 6081 N N . PHE D 4 212 ? 2.089 69.546 -10.903 1.00 25.87 ? 211 PHE D N 1 ATOM 6082 C CA . PHE D 4 212 ? 3.062 70.152 -11.796 1.00 26.48 ? 211 PHE D CA 1 ATOM 6083 C C . PHE D 4 212 ? 4.474 69.901 -11.283 1.00 27.15 ? 211 PHE D C 1 ATOM 6084 O O . PHE D 4 212 ? 4.741 70.056 -10.096 1.00 28.16 ? 211 PHE D O 1 ATOM 6085 C CB . PHE D 4 212 ? 2.816 71.661 -11.866 1.00 26.32 ? 211 PHE D CB 1 ATOM 6086 C CG . PHE D 4 212 ? 3.884 72.438 -12.609 1.00 25.74 ? 211 PHE D CG 1 ATOM 6087 C CD1 . PHE D 4 212 ? 4.012 72.325 -13.990 1.00 25.73 ? 211 PHE D CD1 1 ATOM 6088 C CD2 . PHE D 4 212 ? 4.734 73.313 -11.920 1.00 23.79 ? 211 PHE D CD2 1 ATOM 6089 C CE1 . PHE D 4 212 ? 4.988 73.064 -14.681 1.00 27.70 ? 211 PHE D CE1 1 ATOM 6090 C CE2 . PHE D 4 212 ? 5.713 74.077 -12.597 1.00 26.41 ? 211 PHE D CE2 1 ATOM 6091 C CZ . PHE D 4 212 ? 5.840 73.950 -13.980 1.00 28.25 ? 211 PHE D CZ 1 ATOM 6092 N N . TYR D 4 213 ? 5.363 69.521 -12.180 1.00 27.53 ? 212 TYR D N 1 ATOM 6093 C CA . TYR D 4 213 ? 6.763 69.368 -11.867 1.00 29.10 ? 212 TYR D CA 1 ATOM 6094 C C . TYR D 4 213 ? 7.530 70.556 -12.412 1.00 30.37 ? 212 TYR D C 1 ATOM 6095 O O . TYR D 4 213 ? 7.492 70.858 -13.618 1.00 31.41 ? 212 TYR D O 1 ATOM 6096 C CB . TYR D 4 213 ? 7.276 68.036 -12.399 1.00 29.57 ? 212 TYR D CB 1 ATOM 6097 C CG . TYR D 4 213 ? 6.589 66.878 -11.709 1.00 29.10 ? 212 TYR D CG 1 ATOM 6098 C CD1 . TYR D 4 213 ? 5.461 66.263 -12.276 1.00 28.29 ? 212 TYR D CD1 1 ATOM 6099 C CD2 . TYR D 4 213 ? 7.044 66.426 -10.464 1.00 31.05 ? 212 TYR D CD2 1 ATOM 6100 C CE1 . TYR D 4 213 ? 4.798 65.220 -11.613 1.00 27.97 ? 212 TYR D CE1 1 ATOM 6101 C CE2 . TYR D 4 213 ? 6.409 65.372 -9.797 1.00 30.54 ? 212 TYR D CE2 1 ATOM 6102 C CZ . TYR D 4 213 ? 5.287 64.783 -10.371 1.00 30.81 ? 212 TYR D CZ 1 ATOM 6103 O OH . TYR D 4 213 ? 4.677 63.741 -9.704 1.00 32.53 ? 212 TYR D OH 1 ATOM 6104 N N . GLY D 4 214 ? 8.184 71.270 -11.503 1.00 31.52 ? 213 GLY D N 1 ATOM 6105 C CA . GLY D 4 214 ? 8.943 72.459 -11.856 1.00 32.62 ? 213 GLY D CA 1 ATOM 6106 C C . GLY D 4 214 ? 10.172 72.507 -11.002 1.00 34.98 ? 213 GLY D C 1 ATOM 6107 O O . GLY D 4 214 ? 10.872 71.507 -10.829 1.00 36.02 ? 213 GLY D O 1 ATOM 6108 N N . LEU D 4 215 ? 10.423 73.673 -10.428 1.00 36.61 ? 214 LEU D N 1 ATOM 6109 C CA . LEU D 4 215 ? 11.627 73.888 -9.646 1.00 38.83 ? 214 LEU D CA 1 ATOM 6110 C C . LEU D 4 215 ? 11.556 73.253 -8.256 1.00 39.98 ? 214 LEU D C 1 ATOM 6111 O O . LEU D 4 215 ? 10.471 72.960 -7.712 1.00 38.49 ? 214 LEU D O 1 ATOM 6112 C CB . LEU D 4 215 ? 11.922 75.389 -9.542 1.00 39.48 ? 214 LEU D CB 1 ATOM 6113 C CG . LEU D 4 215 ? 12.727 75.966 -10.711 1.00 40.45 ? 214 LEU D CG 1 ATOM 6114 C CD1 . LEU D 4 215 ? 12.054 75.711 -12.047 1.00 34.41 ? 214 LEU D CD1 1 ATOM 6115 C CD2 . LEU D 4 215 ? 13.047 77.463 -10.516 1.00 39.21 ? 214 LEU D CD2 1 ATOM 6116 N N . SER D 4 216 ? 12.736 73.025 -7.705 1.00 42.98 ? 215 SER D N 1 ATOM 6117 C CA . SER D 4 216 ? 12.879 72.605 -6.331 1.00 46.11 ? 215 SER D CA 1 ATOM 6118 C C . SER D 4 216 ? 13.122 73.860 -5.491 1.00 48.61 ? 215 SER D C 1 ATOM 6119 O O . SER D 4 216 ? 13.442 74.918 -6.039 1.00 49.59 ? 215 SER D O 1 ATOM 6120 C CB . SER D 4 216 ? 14.045 71.623 -6.220 1.00 47.27 ? 215 SER D CB 1 ATOM 6121 O OG . SER D 4 216 ? 14.739 71.800 -5.003 1.00 51.79 ? 215 SER D OG 1 ATOM 6122 N N . GLU D 4 217 ? 12.954 73.740 -4.177 1.00 50.89 ? 216 GLU D N 1 ATOM 6123 C CA . GLU D 4 217 ? 13.272 74.829 -3.247 1.00 54.46 ? 216 GLU D CA 1 ATOM 6124 C C . GLU D 4 217 ? 14.723 75.290 -3.381 1.00 57.39 ? 216 GLU D C 1 ATOM 6125 O O . GLU D 4 217 ? 15.012 76.479 -3.241 1.00 59.39 ? 216 GLU D O 1 ATOM 6126 C CB . GLU D 4 217 ? 13.007 74.401 -1.796 1.00 55.91 ? 216 GLU D CB 1 ATOM 6127 N N . ASN D 4 218 ? 15.624 74.345 -3.650 1.00 58.49 ? 217 ASN D N 1 ATOM 6128 C CA . ASN D 4 218 ? 17.047 74.623 -3.826 1.00 61.14 ? 217 ASN D CA 1 ATOM 6129 C C . ASN D 4 218 ? 17.397 75.501 -5.042 1.00 61.46 ? 217 ASN D C 1 ATOM 6130 O O . ASN D 4 218 ? 18.439 76.171 -5.048 1.00 64.17 ? 217 ASN D O 1 ATOM 6131 C CB . ASN D 4 218 ? 17.830 73.305 -3.910 1.00 62.28 ? 217 ASN D CB 1 ATOM 6132 N N . ASP D 4 219 ? 16.540 75.491 -6.065 1.00 58.92 ? 218 ASP D N 1 ATOM 6133 C CA . ASP D 4 219 ? 16.856 76.136 -7.345 1.00 58.81 ? 218 ASP D CA 1 ATOM 6134 C C . ASP D 4 219 ? 16.866 77.660 -7.239 1.00 59.60 ? 218 ASP D C 1 ATOM 6135 O O . ASP D 4 219 ? 15.992 78.244 -6.618 1.00 59.00 ? 218 ASP D O 1 ATOM 6136 C CB . ASP D 4 219 ? 15.888 75.663 -8.443 1.00 56.30 ? 218 ASP D CB 1 ATOM 6137 C CG . ASP D 4 219 ? 16.094 74.191 -8.824 1.00 56.20 ? 218 ASP D CG 1 ATOM 6138 O OD1 . ASP D 4 219 ? 17.222 73.673 -8.668 1.00 58.94 ? 218 ASP D OD1 1 ATOM 6139 O OD2 . ASP D 4 219 ? 15.133 73.546 -9.296 1.00 52.80 ? 218 ASP D OD2 1 ATOM 6140 N N . GLU D 4 220 ? 17.867 78.297 -7.836 1.00 61.24 ? 219 GLU D N 1 ATOM 6141 C CA . GLU D 4 220 ? 17.932 79.759 -7.874 1.00 62.51 ? 219 GLU D CA 1 ATOM 6142 C C . GLU D 4 220 ? 16.848 80.330 -8.787 1.00 60.60 ? 219 GLU D C 1 ATOM 6143 O O . GLU D 4 220 ? 16.495 79.726 -9.801 1.00 58.96 ? 219 GLU D O 1 ATOM 6144 C CB . GLU D 4 220 ? 19.319 80.230 -8.330 1.00 65.62 ? 219 GLU D CB 1 ATOM 6145 N N . TRP D 4 221 ? 16.318 81.490 -8.415 1.00 61.08 ? 220 TRP D N 1 ATOM 6146 C CA . TRP D 4 221 ? 15.256 82.139 -9.178 1.00 59.88 ? 220 TRP D CA 1 ATOM 6147 C C . TRP D 4 221 ? 15.443 83.647 -9.162 1.00 63.09 ? 220 TRP D C 1 ATOM 6148 O O . TRP D 4 221 ? 15.373 84.273 -8.108 1.00 64.44 ? 220 TRP D O 1 ATOM 6149 C CB . TRP D 4 221 ? 13.874 81.751 -8.623 1.00 57.05 ? 220 TRP D CB 1 ATOM 6150 C CG . TRP D 4 221 ? 12.728 82.227 -9.459 1.00 53.40 ? 220 TRP D CG 1 ATOM 6151 C CD1 . TRP D 4 221 ? 11.797 83.171 -9.122 1.00 52.61 ? 220 TRP D CD1 1 ATOM 6152 C CD2 . TRP D 4 221 ? 12.384 81.777 -10.771 1.00 50.31 ? 220 TRP D CD2 1 ATOM 6153 N NE1 . TRP D 4 221 ? 10.895 83.336 -10.148 1.00 49.76 ? 220 TRP D NE1 1 ATOM 6154 C CE2 . TRP D 4 221 ? 11.241 82.500 -11.176 1.00 49.12 ? 220 TRP D CE2 1 ATOM 6155 C CE3 . TRP D 4 221 ? 12.941 80.839 -11.657 1.00 48.52 ? 220 TRP D CE3 1 ATOM 6156 C CZ2 . TRP D 4 221 ? 10.633 82.301 -12.423 1.00 48.41 ? 220 TRP D CZ2 1 ATOM 6157 C CZ3 . TRP D 4 221 ? 12.341 80.643 -12.888 1.00 45.44 ? 220 TRP D CZ3 1 ATOM 6158 C CH2 . TRP D 4 221 ? 11.199 81.374 -13.264 1.00 45.89 ? 220 TRP D CH2 1 ATOM 6159 N N . THR D 4 222 ? 15.678 84.222 -10.338 1.00 64.83 ? 221 THR D N 1 ATOM 6160 C CA . THR D 4 222 ? 16.029 85.640 -10.458 1.00 68.45 ? 221 THR D CA 1 ATOM 6161 C C . THR D 4 222 ? 14.915 86.497 -11.069 1.00 68.76 ? 221 THR D C 1 ATOM 6162 O O . THR D 4 222 ? 15.073 87.712 -11.230 1.00 71.35 ? 221 THR D O 1 ATOM 6163 C CB . THR D 4 222 ? 17.299 85.817 -11.295 1.00 70.74 ? 221 THR D CB 1 ATOM 6164 O OG1 . THR D 4 222 ? 17.157 85.091 -12.523 1.00 69.84 ? 221 THR D OG1 1 ATOM 6165 C CG2 . THR D 4 222 ? 18.508 85.297 -10.538 1.00 71.85 ? 221 THR D CG2 1 ATOM 6166 N N . GLN D 4 223 ? 13.796 85.857 -11.405 1.00 66.41 ? 222 GLN D N 1 ATOM 6167 C CA . GLN D 4 223 ? 12.655 86.551 -11.996 1.00 66.77 ? 222 GLN D CA 1 ATOM 6168 C C . GLN D 4 223 ? 11.665 87.070 -10.959 1.00 66.71 ? 222 GLN D C 1 ATOM 6169 O O . GLN D 4 223 ? 11.617 86.599 -9.815 1.00 65.83 ? 222 GLN D O 1 ATOM 6170 C CB . GLN D 4 223 ? 11.932 85.667 -13.013 1.00 64.14 ? 222 GLN D CB 1 ATOM 6171 C CG . GLN D 4 223 ? 12.506 85.725 -14.418 1.00 65.95 ? 222 GLN D CG 1 ATOM 6172 C CD . GLN D 4 223 ? 11.847 84.718 -15.342 1.00 65.11 ? 222 GLN D CD 1 ATOM 6173 O OE1 . GLN D 4 223 ? 10.636 84.761 -15.571 1.00 63.97 ? 222 GLN D OE1 1 ATOM 6174 N NE2 . GLN D 4 223 ? 12.640 83.793 -15.869 1.00 65.43 ? 222 GLN D NE2 1 ATOM 6175 N N . ASP D 4 224 ? 10.867 88.039 -11.395 1.00 67.95 ? 223 ASP D N 1 ATOM 6176 C CA . ASP D 4 224 ? 9.923 88.728 -10.536 1.00 68.51 ? 223 ASP D CA 1 ATOM 6177 C C . ASP D 4 224 ? 8.760 87.852 -10.093 1.00 64.67 ? 223 ASP D C 1 ATOM 6178 O O . ASP D 4 224 ? 8.360 87.901 -8.926 1.00 65.14 ? 223 ASP D O 1 ATOM 6179 C CB . ASP D 4 224 ? 9.387 89.973 -11.239 1.00 71.45 ? 223 ASP D CB 1 ATOM 6180 C CG . ASP D 4 224 ? 9.559 91.214 -10.404 1.00 76.56 ? 223 ASP D CG 1 ATOM 6181 O OD1 . ASP D 4 224 ? 10.731 91.611 -10.195 1.00 80.54 ? 223 ASP D OD1 1 ATOM 6182 O OD2 . ASP D 4 224 ? 8.535 91.788 -9.960 1.00 78.92 ? 223 ASP D OD2 1 ATOM 6183 N N . ARG D 4 225 ? 8.219 87.054 -11.017 1.00 60.93 ? 224 ARG D N 1 ATOM 6184 C CA . ARG D 4 225 ? 7.073 86.199 -10.712 1.00 56.61 ? 224 ARG D CA 1 ATOM 6185 C C . ARG D 4 225 ? 7.407 85.153 -9.647 1.00 53.90 ? 224 ARG D C 1 ATOM 6186 O O . ARG D 4 225 ? 8.580 84.884 -9.390 1.00 54.26 ? 224 ARG D O 1 ATOM 6187 C CB . ARG D 4 225 ? 6.551 85.529 -11.987 1.00 55.26 ? 224 ARG D CB 1 ATOM 6188 C CG . ARG D 4 225 ? 7.602 84.735 -12.768 1.00 53.85 ? 224 ARG D CG 1 ATOM 6189 C CD . ARG D 4 225 ? 7.067 84.350 -14.134 1.00 51.95 ? 224 ARG D CD 1 ATOM 6190 N NE . ARG D 4 225 ? 8.051 83.609 -14.925 1.00 51.55 ? 224 ARG D NE 1 ATOM 6191 C CZ . ARG D 4 225 ? 8.139 82.281 -14.978 1.00 47.50 ? 224 ARG D CZ 1 ATOM 6192 N NH1 . ARG D 4 225 ? 7.302 81.518 -14.280 1.00 43.74 ? 224 ARG D NH1 1 ATOM 6193 N NH2 . ARG D 4 225 ? 9.072 81.715 -15.735 1.00 46.96 ? 224 ARG D NH2 1 ATOM 6194 N N . ALA D 4 226 ? 6.376 84.573 -9.034 1.00 50.64 ? 225 ALA D N 1 ATOM 6195 C CA . ALA D 4 226 ? 6.561 83.483 -8.086 1.00 48.37 ? 225 ALA D CA 1 ATOM 6196 C C . ALA D 4 226 ? 7.465 82.385 -8.674 1.00 46.39 ? 225 ALA D C 1 ATOM 6197 O O . ALA D 4 226 ? 7.397 82.074 -9.875 1.00 45.38 ? 225 ALA D O 1 ATOM 6198 C CB . ALA D 4 226 ? 5.211 82.893 -7.681 1.00 46.46 ? 225 ALA D CB 1 ATOM 6199 N N . LYS D 4 227 ? 8.313 81.816 -7.826 1.00 45.37 ? 226 LYS D N 1 ATOM 6200 C CA . LYS D 4 227 ? 9.188 80.721 -8.213 1.00 43.68 ? 226 LYS D CA 1 ATOM 6201 C C . LYS D 4 227 ? 8.326 79.521 -8.613 1.00 40.44 ? 226 LYS D C 1 ATOM 6202 O O . LYS D 4 227 ? 7.516 79.055 -7.810 1.00 39.58 ? 226 LYS D O 1 ATOM 6203 C CB . LYS D 4 227 ? 10.102 80.371 -7.053 1.00 44.84 ? 226 LYS D CB 1 ATOM 6204 C CG . LYS D 4 227 ? 11.202 79.385 -7.381 1.00 45.53 ? 226 LYS D CG 1 ATOM 6205 C CD . LYS D 4 227 ? 11.789 78.871 -6.089 1.00 49.21 ? 226 LYS D CD 1 ATOM 6206 C CE . LYS D 4 227 ? 13.062 78.117 -6.319 1.00 52.00 ? 226 LYS D CE 1 ATOM 6207 N NZ . LYS D 4 227 ? 14.068 78.532 -5.273 1.00 57.38 ? 226 LYS D NZ 1 ATOM 6208 N N . PRO D 4 228 ? 8.453 79.054 -9.876 1.00 38.78 ? 227 PRO D N 1 ATOM 6209 C CA . PRO D 4 228 ? 7.545 78.031 -10.406 1.00 36.02 ? 227 PRO D CA 1 ATOM 6210 C C . PRO D 4 228 ? 7.911 76.644 -9.888 1.00 34.76 ? 227 PRO D C 1 ATOM 6211 O O . PRO D 4 228 ? 8.378 75.787 -10.646 1.00 34.22 ? 227 PRO D O 1 ATOM 6212 C CB . PRO D 4 228 ? 7.737 78.142 -11.921 1.00 36.55 ? 227 PRO D CB 1 ATOM 6213 C CG . PRO D 4 228 ? 9.119 78.670 -12.096 1.00 37.92 ? 227 PRO D CG 1 ATOM 6214 C CD . PRO D 4 228 ? 9.405 79.530 -10.897 1.00 39.84 ? 227 PRO D CD 1 ATOM 6215 N N . VAL D 4 229 ? 7.719 76.458 -8.587 1.00 34.10 ? 228 VAL D N 1 ATOM 6216 C CA . VAL D 4 229 ? 8.023 75.211 -7.918 1.00 33.89 ? 228 VAL D CA 1 ATOM 6217 C C . VAL D 4 229 ? 7.055 74.090 -8.302 1.00 32.41 ? 228 VAL D C 1 ATOM 6218 O O . VAL D 4 229 ? 5.914 74.331 -8.735 1.00 31.49 ? 228 VAL D O 1 ATOM 6219 C CB . VAL D 4 229 ? 7.997 75.367 -6.358 1.00 35.15 ? 228 VAL D CB 1 ATOM 6220 C CG1 . VAL D 4 229 ? 9.105 76.342 -5.867 1.00 36.91 ? 228 VAL D CG1 1 ATOM 6221 C CG2 . VAL D 4 229 ? 6.614 75.834 -5.863 1.00 33.33 ? 228 VAL D CG2 1 ATOM 6222 N N . THR D 4 230 ? 7.529 72.862 -8.130 1.00 32.21 ? 229 THR D N 1 ATOM 6223 C CA . THR D 4 230 ? 6.671 71.684 -8.087 1.00 31.38 ? 229 THR D CA 1 ATOM 6224 C C . THR D 4 230 ? 5.542 71.952 -7.110 1.00 30.70 ? 229 THR D C 1 ATOM 6225 O O . THR D 4 230 ? 5.781 72.446 -6.008 1.00 32.30 ? 229 THR D O 1 ATOM 6226 C CB . THR D 4 230 ? 7.505 70.461 -7.656 1.00 32.23 ? 229 THR D CB 1 ATOM 6227 O OG1 . THR D 4 230 ? 8.491 70.244 -8.670 1.00 32.37 ? 229 THR D OG1 1 ATOM 6228 C CG2 . THR D 4 230 ? 6.639 69.198 -7.491 1.00 29.94 ? 229 THR D CG2 1 ATOM 6229 N N . GLN D 4 231 ? 4.317 71.680 -7.546 1.00 29.12 ? 230 GLN D N 1 ATOM 6230 C CA . GLN D 4 231 ? 3.100 72.067 -6.821 1.00 28.60 ? 230 GLN D CA 1 ATOM 6231 C C . GLN D 4 231 ? 1.876 71.431 -7.435 1.00 27.45 ? 230 GLN D C 1 ATOM 6232 O O . GLN D 4 231 ? 1.883 71.018 -8.583 1.00 26.58 ? 230 GLN D O 1 ATOM 6233 C CB . GLN D 4 231 ? 2.901 73.595 -6.825 1.00 28.64 ? 230 GLN D CB 1 ATOM 6234 C CG . GLN D 4 231 ? 2.684 74.200 -8.225 1.00 26.74 ? 230 GLN D CG 1 ATOM 6235 C CD . GLN D 4 231 ? 2.817 75.696 -8.220 1.00 28.49 ? 230 GLN D CD 1 ATOM 6236 O OE1 . GLN D 4 231 ? 3.932 76.242 -8.340 1.00 30.37 ? 230 GLN D OE1 1 ATOM 6237 N NE2 . GLN D 4 231 ? 1.693 76.384 -8.048 1.00 25.98 ? 230 GLN D NE2 1 ATOM 6238 N N . ILE D 4 232 ? 0.809 71.402 -6.653 1.00 28.22 ? 231 ILE D N 1 ATOM 6239 C CA . ILE D 4 232 ? -0.495 71.013 -7.143 1.00 26.82 ? 231 ILE D CA 1 ATOM 6240 C C . ILE D 4 232 ? -1.333 72.253 -7.383 1.00 27.10 ? 231 ILE D C 1 ATOM 6241 O O . ILE D 4 232 ? -1.330 73.188 -6.592 1.00 28.67 ? 231 ILE D O 1 ATOM 6242 C CB . ILE D 4 232 ? -1.213 70.111 -6.127 1.00 27.02 ? 231 ILE D CB 1 ATOM 6243 C CG1 . ILE D 4 232 ? -0.512 68.767 -6.085 1.00 28.17 ? 231 ILE D CG1 1 ATOM 6244 C CG2 . ILE D 4 232 ? -2.725 69.954 -6.476 1.00 23.87 ? 231 ILE D CG2 1 ATOM 6245 C CD1 . ILE D 4 232 ? -0.789 67.942 -4.852 1.00 28.03 ? 231 ILE D CD1 1 ATOM 6246 N N . VAL D 4 233 ? -2.040 72.257 -8.502 1.00 26.90 ? 232 VAL D N 1 ATOM 6247 C CA . VAL D 4 233 ? -3.057 73.255 -8.748 1.00 26.54 ? 232 VAL D CA 1 ATOM 6248 C C . VAL D 4 233 ? -4.334 72.489 -9.053 1.00 26.05 ? 232 VAL D C 1 ATOM 6249 O O . VAL D 4 233 ? -4.316 71.482 -9.772 1.00 26.32 ? 232 VAL D O 1 ATOM 6250 C CB . VAL D 4 233 ? -2.671 74.153 -9.909 1.00 26.97 ? 232 VAL D CB 1 ATOM 6251 C CG1 . VAL D 4 233 ? -3.696 75.297 -10.055 1.00 27.04 ? 232 VAL D CG1 1 ATOM 6252 C CG2 . VAL D 4 233 ? -1.218 74.732 -9.691 1.00 26.98 ? 232 VAL D CG2 1 ATOM 6253 N N . SER D 4 234 ? -5.450 72.935 -8.503 1.00 26.18 ? 233 SER D N 1 ATOM 6254 C CA . SER D 4 234 ? -6.693 72.199 -8.718 1.00 26.06 ? 233 SER D CA 1 ATOM 6255 C C . SER D 4 234 ? -7.864 73.153 -8.834 1.00 26.72 ? 233 SER D C 1 ATOM 6256 O O . SER D 4 234 ? -7.766 74.351 -8.527 1.00 26.50 ? 233 SER D O 1 ATOM 6257 C CB . SER D 4 234 ? -6.925 71.222 -7.557 1.00 25.89 ? 233 SER D CB 1 ATOM 6258 O OG . SER D 4 234 ? -7.276 71.951 -6.394 1.00 27.62 ? 233 SER D OG 1 ATOM 6259 N N . ALA D 4 235 ? -8.965 72.600 -9.303 1.00 26.11 ? 234 ALA D N 1 ATOM 6260 C CA . ALA D 4 235 ? -10.199 73.331 -9.435 1.00 28.15 ? 234 ALA D CA 1 ATOM 6261 C C . ALA D 4 235 ? -11.276 72.317 -9.090 1.00 28.52 ? 234 ALA D C 1 ATOM 6262 O O . ALA D 4 235 ? -11.131 71.095 -9.292 1.00 27.91 ? 234 ALA D O 1 ATOM 6263 C CB . ALA D 4 235 ? -10.394 73.906 -10.888 1.00 27.58 ? 234 ALA D CB 1 ATOM 6264 N N . GLU D 4 236 ? -12.380 72.840 -8.612 1.00 30.41 ? 235 GLU D N 1 ATOM 6265 C CA . GLU D 4 236 ? -13.281 72.049 -7.840 1.00 32.42 ? 235 GLU D CA 1 ATOM 6266 C C . GLU D 4 236 ? -14.711 72.556 -8.058 1.00 33.44 ? 235 GLU D C 1 ATOM 6267 O O . GLU D 4 236 ? -14.912 73.749 -8.270 1.00 33.56 ? 235 GLU D O 1 ATOM 6268 C CB . GLU D 4 236 ? -12.753 72.176 -6.400 1.00 33.96 ? 235 GLU D CB 1 ATOM 6269 C CG . GLU D 4 236 ? -13.674 72.223 -5.259 1.00 38.94 ? 235 GLU D CG 1 ATOM 6270 C CD . GLU D 4 236 ? -14.373 73.519 -5.082 1.00 42.27 ? 235 GLU D CD 1 ATOM 6271 O OE1 . GLU D 4 236 ? -13.742 74.599 -5.190 1.00 45.18 ? 235 GLU D OE1 1 ATOM 6272 O OE2 . GLU D 4 236 ? -15.581 73.435 -4.807 1.00 44.99 ? 235 GLU D OE2 1 ATOM 6273 N N . ALA D 4 237 ? -15.685 71.637 -8.039 1.00 33.47 ? 236 ALA D N 1 ATOM 6274 C CA . ALA D 4 237 ? -17.104 71.997 -8.002 1.00 35.05 ? 236 ALA D CA 1 ATOM 6275 C C . ALA D 4 237 ? -17.942 70.907 -7.348 1.00 35.84 ? 236 ALA D C 1 ATOM 6276 O O . ALA D 4 237 ? -17.584 69.730 -7.370 1.00 35.00 ? 236 ALA D O 1 ATOM 6277 C CB . ALA D 4 237 ? -17.637 72.306 -9.397 1.00 35.04 ? 236 ALA D CB 1 ATOM 6278 N N . TRP D 4 238 ? -19.059 71.313 -6.755 1.00 37.41 ? 237 TRP D N 1 ATOM 6279 C CA . TRP D 4 238 ? -19.983 70.377 -6.146 1.00 38.60 ? 237 TRP D CA 1 ATOM 6280 C C . TRP D 4 238 ? -21.097 70.048 -7.122 1.00 39.22 ? 237 TRP D C 1 ATOM 6281 O O . TRP D 4 238 ? -21.499 70.897 -7.917 1.00 39.25 ? 237 TRP D O 1 ATOM 6282 C CB . TRP D 4 238 ? -20.600 70.982 -4.886 1.00 40.84 ? 237 TRP D CB 1 ATOM 6283 C CG . TRP D 4 238 ? -19.637 71.177 -3.752 1.00 40.52 ? 237 TRP D CG 1 ATOM 6284 C CD1 . TRP D 4 238 ? -18.797 72.234 -3.564 1.00 40.47 ? 237 TRP D CD1 1 ATOM 6285 C CD2 . TRP D 4 238 ? -19.436 70.299 -2.640 1.00 40.16 ? 237 TRP D CD2 1 ATOM 6286 N NE1 . TRP D 4 238 ? -18.089 72.074 -2.401 1.00 41.07 ? 237 TRP D NE1 1 ATOM 6287 C CE2 . TRP D 4 238 ? -18.458 70.893 -1.813 1.00 41.06 ? 237 TRP D CE2 1 ATOM 6288 C CE3 . TRP D 4 238 ? -19.995 69.072 -2.255 1.00 39.58 ? 237 TRP D CE3 1 ATOM 6289 C CZ2 . TRP D 4 238 ? -18.011 70.294 -0.624 1.00 40.14 ? 237 TRP D CZ2 1 ATOM 6290 C CZ3 . TRP D 4 238 ? -19.560 68.484 -1.068 1.00 39.43 ? 237 TRP D CZ3 1 ATOM 6291 C CH2 . TRP D 4 238 ? -18.567 69.092 -0.274 1.00 39.15 ? 237 TRP D CH2 1 ATOM 6292 N N . GLY D 4 239 ? -21.605 68.821 -7.046 1.00 39.51 ? 238 GLY D N 1 ATOM 6293 C CA . GLY D 4 239 ? -22.806 68.456 -7.796 1.00 41.36 ? 238 GLY D CA 1 ATOM 6294 C C . GLY D 4 239 ? -23.977 69.338 -7.389 1.00 43.73 ? 238 GLY D C 1 ATOM 6295 O O . GLY D 4 239 ? -23.899 70.044 -6.377 1.00 44.78 ? 238 GLY D O 1 ATOM 6296 N N . ARG D 4 240 ? -25.052 69.309 -8.177 1.00 45.53 ? 239 ARG D N 1 ATOM 6297 C CA . ARG D 4 240 ? -26.291 70.082 -7.889 1.00 48.51 ? 239 ARG D CA 1 ATOM 6298 C C . ARG D 4 240 ? -27.452 69.647 -8.801 1.00 49.52 ? 239 ARG D C 1 ATOM 6299 O O . ARG D 4 240 ? -27.223 69.154 -9.920 1.00 47.72 ? 239 ARG D O 1 ATOM 6300 C CB . ARG D 4 240 ? -26.056 71.576 -8.101 1.00 48.91 ? 239 ARG D CB 1 ATOM 6301 C CG . ARG D 4 240 ? -26.224 71.941 -9.565 1.00 51.69 ? 239 ARG D CG 1 ATOM 6302 C CD . ARG D 4 240 ? -25.316 73.019 -10.030 1.00 55.15 ? 239 ARG D CD 1 ATOM 6303 N NE . ARG D 4 240 ? -23.934 72.784 -9.627 1.00 54.01 ? 239 ARG D NE 1 ATOM 6304 C CZ . ARG D 4 240 ? -22.993 73.713 -9.737 1.00 54.52 ? 239 ARG D CZ 1 ATOM 6305 N NH1 . ARG D 4 240 ? -23.316 74.900 -10.259 1.00 53.45 ? 239 ARG D NH1 1 ATOM 6306 N NH2 . ARG D 4 240 ? -21.742 73.459 -9.342 1.00 51.65 ? 239 ARG D NH2 1 ATOM 6307 N N . ALA D 4 241 ? -28.682 69.877 -8.330 1.00 51.83 ? 240 ALA D N 1 ATOM 6308 C CA . ALA D 4 241 ? -29.909 69.510 -9.042 1.00 53.92 ? 240 ALA D CA 1 ATOM 6309 C C . ALA D 4 241 ? -30.039 70.178 -10.409 1.00 54.14 ? 240 ALA D C 1 ATOM 6310 O O . ALA D 4 241 ? -29.559 71.297 -10.605 1.00 54.29 ? 240 ALA D O 1 ATOM 6311 C CB . ALA D 4 241 ? -31.123 69.847 -8.185 1.00 56.76 ? 240 ALA D CB 1 HETATM 6312 C C1 . NAG E 5 . ? 45.189 42.023 -17.647 1.00 62.49 ? 286 NAG A C1 1 HETATM 6313 C C2 . NAG E 5 . ? 46.388 41.376 -18.384 1.00 65.95 ? 286 NAG A C2 1 HETATM 6314 C C3 . NAG E 5 . ? 47.388 42.442 -18.904 1.00 70.86 ? 286 NAG A C3 1 HETATM 6315 C C4 . NAG E 5 . ? 46.773 43.758 -19.385 1.00 71.98 ? 286 NAG A C4 1 HETATM 6316 C C5 . NAG E 5 . ? 45.683 44.199 -18.414 1.00 70.69 ? 286 NAG A C5 1 HETATM 6317 C C6 . NAG E 5 . ? 44.958 45.470 -18.827 1.00 73.85 ? 286 NAG A C6 1 HETATM 6318 C C7 . NAG E 5 . ? 48.089 39.664 -17.675 1.00 68.84 ? 286 NAG A C7 1 HETATM 6319 C C8 . NAG E 5 . ? 48.761 39.067 -16.467 1.00 69.62 ? 286 NAG A C8 1 HETATM 6320 N N2 . NAG E 5 . ? 47.165 40.604 -17.429 1.00 67.66 ? 286 NAG A N2 1 HETATM 6321 O O3 . NAG E 5 . ? 48.242 41.926 -19.912 1.00 71.51 ? 286 NAG A O3 1 HETATM 6322 O O4 . NAG E 5 . ? 47.811 44.705 -19.457 1.00 76.79 ? 286 NAG A O4 1 HETATM 6323 O O5 . NAG E 5 . ? 44.724 43.161 -18.354 1.00 66.95 ? 286 NAG A O5 1 HETATM 6324 O O6 . NAG E 5 . ? 43.872 45.644 -17.938 1.00 73.93 ? 286 NAG A O6 1 HETATM 6325 O O7 . NAG E 5 . ? 48.400 39.260 -18.792 1.00 69.53 ? 286 NAG A O7 1 HETATM 6326 C C1 . NAG F 5 . ? 40.482 33.603 -25.513 1.00 41.09 ? 287 NAG A C1 1 HETATM 6327 C C2 . NAG F 5 . ? 41.130 34.966 -25.758 1.00 44.85 ? 287 NAG A C2 1 HETATM 6328 C C3 . NAG F 5 . ? 40.137 36.138 -25.689 1.00 46.67 ? 287 NAG A C3 1 HETATM 6329 C C4 . NAG F 5 . ? 38.930 35.893 -26.583 1.00 47.53 ? 287 NAG A C4 1 HETATM 6330 C C5 . NAG F 5 . ? 38.333 34.519 -26.239 1.00 45.67 ? 287 NAG A C5 1 HETATM 6331 C C6 . NAG F 5 . ? 37.131 34.206 -27.143 1.00 45.80 ? 287 NAG A C6 1 HETATM 6332 C C7 . NAG F 5 . ? 43.398 35.417 -25.068 1.00 46.67 ? 287 NAG A C7 1 HETATM 6333 C C8 . NAG F 5 . ? 44.319 35.668 -23.916 1.00 46.60 ? 287 NAG A C8 1 HETATM 6334 N N2 . NAG F 5 . ? 42.134 35.205 -24.754 1.00 44.72 ? 287 NAG A N2 1 HETATM 6335 O O3 . NAG F 5 . ? 40.767 37.340 -26.074 1.00 47.17 ? 287 NAG A O3 1 HETATM 6336 O O4 . NAG F 5 . ? 38.007 36.965 -26.430 1.00 50.89 ? 287 NAG A O4 1 HETATM 6337 O O5 . NAG F 5 . ? 39.316 33.473 -26.311 1.00 41.78 ? 287 NAG A O5 1 HETATM 6338 O O6 . NAG F 5 . ? 37.542 34.118 -28.496 1.00 49.10 ? 287 NAG A O6 1 HETATM 6339 O O7 . NAG F 5 . ? 43.828 35.391 -26.217 1.00 49.72 ? 287 NAG A O7 1 HETATM 6340 C C1 . NAG G 5 . ? 21.705 11.671 -12.635 1.00 41.39 ? 288 NAG A C1 1 HETATM 6341 C C2 . NAG G 5 . ? 20.191 11.840 -12.477 1.00 44.16 ? 288 NAG A C2 1 HETATM 6342 C C3 . NAG G 5 . ? 19.830 12.317 -11.068 1.00 45.07 ? 288 NAG A C3 1 HETATM 6343 C C4 . NAG G 5 . ? 20.514 11.484 -9.971 1.00 49.07 ? 288 NAG A C4 1 HETATM 6344 C C5 . NAG G 5 . ? 22.005 11.270 -10.294 1.00 48.36 ? 288 NAG A C5 1 HETATM 6345 C C6 . NAG G 5 . ? 22.712 10.314 -9.316 1.00 51.89 ? 288 NAG A C6 1 HETATM 6346 C C7 . NAG G 5 . ? 19.138 12.303 -14.643 1.00 44.79 ? 288 NAG A C7 1 HETATM 6347 C C8 . NAG G 5 . ? 18.496 13.326 -15.537 1.00 43.27 ? 288 NAG A C8 1 HETATM 6348 N N2 . NAG G 5 . ? 19.576 12.736 -13.453 1.00 42.05 ? 288 NAG A N2 1 HETATM 6349 O O3 . NAG G 5 . ? 18.424 12.282 -10.933 1.00 45.74 ? 288 NAG A O3 1 HETATM 6350 O O4 . NAG G 5 . ? 20.436 12.182 -8.745 1.00 50.53 ? 288 NAG A O4 1 HETATM 6351 O O5 . NAG G 5 . ? 22.186 10.807 -11.628 1.00 45.84 ? 288 NAG A O5 1 HETATM 6352 O O6 . NAG G 5 . ? 24.010 10.024 -9.813 1.00 56.01 ? 288 NAG A O6 1 HETATM 6353 O O7 . NAG G 5 . ? 19.253 11.131 -15.026 1.00 46.21 ? 288 NAG A O7 1 HETATM 6354 C C1 . NAG H 5 . ? 19.429 11.684 -7.866 1.00 56.99 ? 289 NAG A C1 1 HETATM 6355 C C2 . NAG H 5 . ? 19.846 11.998 -6.421 1.00 58.66 ? 289 NAG A C2 1 HETATM 6356 C C3 . NAG H 5 . ? 18.744 11.604 -5.425 1.00 62.75 ? 289 NAG A C3 1 HETATM 6357 C C4 . NAG H 5 . ? 17.385 12.179 -5.844 1.00 64.48 ? 289 NAG A C4 1 HETATM 6358 C C5 . NAG H 5 . ? 17.118 11.853 -7.330 1.00 64.71 ? 289 NAG A C5 1 HETATM 6359 C C6 . NAG H 5 . ? 15.808 12.420 -7.884 1.00 66.43 ? 289 NAG A C6 1 HETATM 6360 C C7 . NAG H 5 . ? 22.112 12.075 -5.500 1.00 55.36 ? 289 NAG A C7 1 HETATM 6361 C C8 . NAG H 5 . ? 23.380 11.338 -5.191 1.00 55.38 ? 289 NAG A C8 1 HETATM 6362 N N2 . NAG H 5 . ? 21.123 11.380 -6.075 1.00 57.79 ? 289 NAG A N2 1 HETATM 6363 O O3 . NAG H 5 . ? 19.073 12.019 -4.112 1.00 62.85 ? 289 NAG A O3 1 HETATM 6364 O O4 . NAG H 5 . ? 16.390 11.645 -4.985 1.00 67.74 ? 289 NAG A O4 1 HETATM 6365 O O5 . NAG H 5 . ? 18.196 12.319 -8.139 1.00 59.73 ? 289 NAG A O5 1 HETATM 6366 O O6 . NAG H 5 . ? 16.059 13.504 -8.764 1.00 64.38 ? 289 NAG A O6 1 HETATM 6367 O O7 . NAG H 5 . ? 22.027 13.265 -5.214 1.00 54.22 ? 289 NAG A O7 1 HETATM 6368 C C1 . FUC I 6 . ? 25.127 10.653 -9.123 1.00 57.13 ? 290 FUC A C1 1 HETATM 6369 C C2 . FUC I 6 . ? 26.411 9.870 -9.431 1.00 58.26 ? 290 FUC A C2 1 HETATM 6370 C C3 . FUC I 6 . ? 26.717 9.967 -10.938 1.00 57.82 ? 290 FUC A C3 1 HETATM 6371 C C4 . FUC I 6 . ? 26.834 11.437 -11.394 1.00 56.44 ? 290 FUC A C4 1 HETATM 6372 C C5 . FUC I 6 . ? 25.572 12.185 -10.904 1.00 56.38 ? 290 FUC A C5 1 HETATM 6373 C C6 . FUC I 6 . ? 25.536 13.672 -11.254 1.00 52.84 ? 290 FUC A C6 1 HETATM 6374 O O2 . FUC I 6 . ? 26.258 8.519 -9.018 1.00 62.96 ? 290 FUC A O2 1 HETATM 6375 O O3 . FUC I 6 . ? 27.811 9.151 -11.333 1.00 56.39 ? 290 FUC A O3 1 HETATM 6376 O O4 . FUC I 6 . ? 28.020 12.079 -10.938 1.00 54.64 ? 290 FUC A O4 1 HETATM 6377 O O5 . FUC I 6 . ? 25.366 11.999 -9.497 1.00 56.84 ? 290 FUC A O5 1 HETATM 6378 C CAA . QUY J 7 . ? 30.889 16.938 -18.738 1.00 35.31 ? 291 QUY A CAA 1 HETATM 6379 C CAB . QUY J 7 . ? 31.543 15.560 -18.976 1.00 35.62 ? 291 QUY A CAB 1 HETATM 6380 C CAC . QUY J 7 . ? 30.815 14.818 -20.099 1.00 33.58 ? 291 QUY A CAC 1 HETATM 6381 C CAD . QUY J 7 . ? 31.441 15.088 -21.453 1.00 32.04 ? 291 QUY A CAD 1 HETATM 6382 C CAE . QUY J 7 . ? 31.042 14.011 -22.464 1.00 34.50 ? 291 QUY A CAE 1 HETATM 6383 C CAF . QUY J 7 . ? 31.276 14.495 -23.919 1.00 36.08 ? 291 QUY A CAF 1 HETATM 6384 C CAG . QUY J 7 . ? 32.752 14.703 -24.218 1.00 34.11 ? 291 QUY A CAG 1 HETATM 6385 C CAH . QUY J 7 . ? 32.992 15.455 -25.523 1.00 35.72 ? 291 QUY A CAH 1 HETATM 6386 C CAI . QUY J 7 . ? 34.499 15.733 -25.687 1.00 34.77 ? 291 QUY A CAI 1 HETATM 6387 C CAJ . QUY J 7 . ? 34.832 17.234 -25.778 1.00 34.95 ? 291 QUY A CAJ 1 HETATM 6388 C CAK . QUY J 7 . ? 34.861 17.957 -24.438 1.00 35.49 ? 291 QUY A CAK 1 HETATM 6389 C CAL . QUY J 7 . ? 35.763 19.222 -24.454 1.00 35.81 ? 291 QUY A CAL 1 HETATM 6390 C CAM . QUY J 7 . ? 35.275 20.230 -23.377 1.00 36.97 ? 291 QUY A CAM 1 HETATM 6391 C CAN . QUY J 7 . ? 36.223 20.342 -22.165 1.00 38.95 ? 291 QUY A CAN 1 HETATM 6392 C CAO . QUY J 7 . ? 35.669 21.224 -21.025 1.00 36.08 ? 291 QUY A CAO 1 HETATM 6393 C CAP . QUY J 7 . ? 34.656 20.433 -20.213 1.00 34.60 ? 291 QUY A CAP 1 HETATM 6394 C CAQ . QUY J 7 . ? 34.707 20.654 -18.726 1.00 34.91 ? 291 QUY A CAQ 1 HETATM 6395 C CAR . QUY J 7 . ? 33.310 20.328 -18.155 1.00 38.81 ? 291 QUY A CAR 1 HETATM 6396 C CAS . QUY J 7 . ? 32.236 21.421 -18.391 1.00 37.71 ? 291 QUY A CAS 1 HETATM 6397 C CAT . QUY J 7 . ? 30.862 20.907 -17.906 1.00 36.86 ? 291 QUY A CAT 1 HETATM 6398 C CAU . QUY J 7 . ? 29.852 22.035 -17.582 1.00 32.12 ? 291 QUY A CAU 1 HETATM 6399 C CAV . QUY J 7 . ? 28.818 22.129 -18.699 1.00 29.13 ? 291 QUY A CAV 1 HETATM 6400 C CAW . QUY J 7 . ? 27.668 23.103 -18.387 1.00 28.27 ? 291 QUY A CAW 1 HETATM 6401 C CAX . QUY J 7 . ? 26.715 23.119 -19.592 1.00 25.01 ? 291 QUY A CAX 1 HETATM 6402 C CAY . QUY J 7 . ? 25.584 24.141 -19.487 1.00 25.88 ? 291 QUY A CAY 1 HETATM 6403 C CAZ . QUY J 7 . ? 26.019 25.579 -19.761 1.00 27.27 ? 291 QUY A CAZ 1 HETATM 6404 O OBA . QUY J 7 . ? 26.772 25.884 -20.688 1.00 27.19 ? 291 QUY A OBA 1 HETATM 6405 N NBB . QUY J 7 . ? 25.555 26.461 -18.895 1.00 27.95 ? 291 QUY A NBB 1 HETATM 6406 C CBC . QUY J 7 . ? 25.881 27.882 -19.063 1.00 28.65 ? 291 QUY A CBC 1 HETATM 6407 C CBD . QUY J 7 . ? 25.853 28.597 -17.719 1.00 27.61 ? 291 QUY A CBD 1 HETATM 6408 O OBE . QUY J 7 . ? 26.234 29.927 -17.992 1.00 28.52 ? 291 QUY A OBE 1 HETATM 6409 C CBF . QUY J 7 . ? 26.820 27.996 -16.687 1.00 28.64 ? 291 QUY A CBF 1 HETATM 6410 O OBG . QUY J 7 . ? 26.708 28.733 -15.431 1.00 28.64 ? 291 QUY A OBG 1 HETATM 6411 C CBH . QUY J 7 . ? 28.275 27.964 -17.208 1.00 27.07 ? 291 QUY A CBH 1 HETATM 6412 C CBI . QUY J 7 . ? 29.312 27.464 -16.183 1.00 26.48 ? 291 QUY A CBI 1 HETATM 6413 C CBJ . QUY J 7 . ? 29.036 26.034 -15.687 1.00 29.54 ? 291 QUY A CBJ 1 HETATM 6414 C CBK . QUY J 7 . ? 30.254 25.496 -14.872 1.00 31.96 ? 291 QUY A CBK 1 HETATM 6415 C CBL . QUY J 7 . ? 30.335 26.149 -13.466 1.00 31.71 ? 291 QUY A CBL 1 HETATM 6416 C CBM . QUY J 7 . ? 31.540 25.608 -12.689 1.00 32.06 ? 291 QUY A CBM 1 HETATM 6417 C CBN . QUY J 7 . ? 31.510 26.004 -11.205 1.00 31.52 ? 291 QUY A CBN 1 HETATM 6418 C CBO . QUY J 7 . ? 32.361 27.258 -11.008 1.00 30.76 ? 291 QUY A CBO 1 HETATM 6419 C CBP . QUY J 7 . ? 32.383 27.744 -9.555 1.00 30.46 ? 291 QUY A CBP 1 HETATM 6420 C CBQ . QUY J 7 . ? 32.936 29.178 -9.569 1.00 32.08 ? 291 QUY A CBQ 1 HETATM 6421 C CBR . QUY J 7 . ? 33.603 29.572 -8.245 1.00 33.37 ? 291 QUY A CBR 1 HETATM 6422 C CBS . QUY J 7 . ? 33.387 31.078 -7.935 1.00 32.60 ? 291 QUY A CBS 1 HETATM 6423 C CBT . QUY J 7 . ? 34.507 31.971 -8.482 1.00 32.82 ? 291 QUY A CBT 1 HETATM 6424 C CBU . QUY J 7 . ? 34.517 33.382 -7.833 1.00 31.08 ? 291 QUY A CBU 1 HETATM 6425 C CBV . QUY J 7 . ? 24.926 28.515 -20.090 1.00 27.72 ? 291 QUY A CBV 1 HETATM 6426 O OBW . QUY J 7 . ? 23.653 28.535 -19.470 1.00 30.08 ? 291 QUY A OBW 1 HETATM 6427 C CBX . QUY J 7 . ? 22.500 28.870 -20.300 1.00 33.64 ? 291 QUY A CBX 1 HETATM 6428 O OBY . QUY J 7 . ? 22.433 27.744 -21.259 1.00 38.82 ? 291 QUY A OBY 1 HETATM 6429 C CBZ . QUY J 7 . ? 21.304 28.966 -19.356 1.00 33.42 ? 291 QUY A CBZ 1 HETATM 6430 O OCA . QUY J 7 . ? 21.675 29.681 -18.133 1.00 38.56 ? 291 QUY A OCA 1 HETATM 6431 C CCB . QUY J 7 . ? 20.867 27.559 -18.877 1.00 33.79 ? 291 QUY A CCB 1 HETATM 6432 O OCC . QUY J 7 . ? 19.563 27.610 -18.395 1.00 30.23 ? 291 QUY A OCC 1 HETATM 6433 C CCD . QUY J 7 . ? 20.917 26.471 -19.938 1.00 37.59 ? 291 QUY A CCD 1 HETATM 6434 O OCE . QUY J 7 . ? 19.976 26.757 -20.963 1.00 38.92 ? 291 QUY A OCE 1 HETATM 6435 C CCF . QUY J 7 . ? 22.297 26.433 -20.554 1.00 41.09 ? 291 QUY A CCF 1 HETATM 6436 C CDA . QUY J 7 . ? 22.458 25.171 -21.436 1.00 47.75 ? 291 QUY A CDA 1 HETATM 6437 N NDA . QUY J 7 . ? 22.884 25.434 -22.673 1.00 52.48 ? 291 QUY A NDA 1 HETATM 6438 O ODA . QUY J 7 . ? 22.242 24.037 -20.966 1.00 46.75 ? 291 QUY A ODA 1 HETATM 6439 C CDB . QUY J 7 . ? 23.128 24.479 -23.754 1.00 58.86 ? 291 QUY A CDB 1 HETATM 6440 C CDC . QUY J 7 . ? 22.830 25.253 -25.072 1.00 64.80 ? 291 QUY A CDC 1 HETATM 6441 C CDD . QUY J 7 . ? 23.392 24.835 -26.290 1.00 65.75 ? 291 QUY A CDD 1 HETATM 6442 C CDE . QUY J 7 . ? 23.094 25.549 -27.457 1.00 69.03 ? 291 QUY A CDE 1 HETATM 6443 C CDF . QUY J 7 . ? 22.240 26.669 -27.426 1.00 70.48 ? 291 QUY A CDF 1 HETATM 6444 C CDG . QUY J 7 . ? 21.672 27.090 -26.216 1.00 70.00 ? 291 QUY A CDG 1 HETATM 6445 C CDH . QUY J 7 . ? 21.971 26.378 -25.044 1.00 67.79 ? 291 QUY A CDH 1 HETATM 6446 C C1 . GOL K 8 . ? 13.212 31.013 -11.389 1.00 64.00 ? 241 GOL D C1 1 HETATM 6447 O O1 . GOL K 8 . ? 12.057 30.206 -11.523 1.00 63.60 ? 241 GOL D O1 1 HETATM 6448 C C2 . GOL K 8 . ? 12.955 32.197 -10.456 1.00 63.26 ? 241 GOL D C2 1 HETATM 6449 O O2 . GOL K 8 . ? 11.578 32.350 -10.163 1.00 64.19 ? 241 GOL D O2 1 HETATM 6450 C C3 . GOL K 8 . ? 13.456 33.461 -11.141 1.00 61.23 ? 241 GOL D C3 1 HETATM 6451 O O3 . GOL K 8 . ? 13.512 34.524 -10.217 1.00 56.91 ? 241 GOL D O3 1 HETATM 6452 O O . HOH L 9 . ? 36.570 10.240 -35.407 1.00 29.45 ? 292 HOH A O 1 HETATM 6453 O O . HOH L 9 . ? 38.150 22.655 -0.188 1.00 40.78 ? 293 HOH A O 1 HETATM 6454 O O . HOH L 9 . ? 27.125 36.098 -16.507 1.00 21.67 ? 294 HOH A O 1 HETATM 6455 O O . HOH L 9 . ? 61.932 7.553 -14.080 1.00 40.62 ? 295 HOH A O 1 HETATM 6456 O O . HOH L 9 . ? 31.005 7.543 -29.162 1.00 30.55 ? 296 HOH A O 1 HETATM 6457 O O . HOH L 9 . ? 79.995 7.143 -12.283 1.00 82.87 ? 297 HOH A O 1 HETATM 6458 O O . HOH L 9 . ? 42.321 26.135 -9.841 1.00 27.07 ? 298 HOH A O 1 HETATM 6459 O O . HOH L 9 . ? 39.515 15.871 -7.037 1.00 46.52 ? 299 HOH A O 1 HETATM 6460 O O . HOH L 9 . ? 48.611 31.821 -14.818 1.00 46.20 ? 300 HOH A O 1 HETATM 6461 O O . HOH L 9 . ? 49.117 2.741 -20.208 1.00 38.81 ? 301 HOH A O 1 HETATM 6462 O O . HOH L 9 . ? 44.360 22.870 -24.664 1.00 22.25 ? 302 HOH A O 1 HETATM 6463 O O . HOH L 9 . ? 31.159 14.920 -9.274 1.00 25.06 ? 303 HOH A O 1 HETATM 6464 O O . HOH L 9 . ? 23.954 5.722 -19.120 1.00 58.99 ? 304 HOH A O 1 HETATM 6465 O O . HOH L 9 . ? 34.880 40.546 -12.942 1.00 27.49 ? 305 HOH A O 1 HETATM 6466 O O . HOH L 9 . ? 28.473 11.642 -1.218 1.00 58.66 ? 306 HOH A O 1 HETATM 6467 O O . HOH L 9 . ? 55.011 7.637 -12.010 1.00 38.64 ? 307 HOH A O 1 HETATM 6468 O O . HOH L 9 . ? 30.911 26.620 1.272 1.00 29.36 ? 308 HOH A O 1 HETATM 6469 O O . HOH L 9 . ? 33.437 29.241 -27.457 1.00 31.89 ? 309 HOH A O 1 HETATM 6470 O O . HOH L 9 . ? 42.171 23.477 -30.381 1.00 36.86 ? 310 HOH A O 1 HETATM 6471 O O . HOH L 9 . ? 58.779 -9.433 -20.454 1.00 43.15 ? 311 HOH A O 1 HETATM 6472 O O . HOH L 9 . ? 42.321 5.151 -17.114 1.00 37.49 ? 312 HOH A O 1 HETATM 6473 O O . HOH L 9 . ? 19.816 28.148 -5.643 1.00 32.36 ? 313 HOH A O 1 HETATM 6474 O O . HOH L 9 . ? 26.648 30.654 4.149 1.00 26.81 ? 314 HOH A O 1 HETATM 6475 O O . HOH L 9 . ? 47.757 -1.110 -24.649 1.00 35.60 ? 315 HOH A O 1 HETATM 6476 O O . HOH L 9 . ? 68.081 -8.962 -23.565 1.00 64.03 ? 316 HOH A O 1 HETATM 6477 O O . HOH L 9 . ? 42.621 20.156 -3.469 1.00 34.57 ? 317 HOH A O 1 HETATM 6478 O O . HOH L 9 . ? 37.882 32.158 -20.795 1.00 25.48 ? 318 HOH A O 1 HETATM 6479 O O . HOH L 9 . ? 42.247 9.835 -18.234 1.00 32.52 ? 319 HOH A O 1 HETATM 6480 O O . HOH L 9 . ? 33.633 28.754 -30.098 1.00 30.62 ? 320 HOH A O 1 HETATM 6481 O O . HOH L 9 . ? 44.417 21.620 -32.774 1.00 46.89 ? 321 HOH A O 1 HETATM 6482 O O . HOH L 9 . ? 32.326 35.656 -22.311 1.00 31.50 ? 322 HOH A O 1 HETATM 6483 O O . HOH L 9 . ? 27.128 22.951 -0.906 1.00 39.19 ? 323 HOH A O 1 HETATM 6484 O O . HOH L 9 . ? 19.810 23.054 -9.232 1.00 45.70 ? 324 HOH A O 1 HETATM 6485 O O . HOH L 9 . ? 24.522 27.795 -0.567 1.00 42.31 ? 325 HOH A O 1 HETATM 6486 O O . HOH L 9 . ? 40.539 43.815 -12.675 1.00 44.50 ? 326 HOH A O 1 HETATM 6487 O O . HOH L 9 . ? 22.249 25.790 -3.010 1.00 44.19 ? 327 HOH A O 1 HETATM 6488 O O . HOH L 9 . ? 39.796 18.020 -35.440 1.00 34.08 ? 328 HOH A O 1 HETATM 6489 O O . HOH L 9 . ? 39.163 31.526 -0.197 1.00 36.99 ? 329 HOH A O 1 HETATM 6490 O O . HOH L 9 . ? 41.601 37.725 -3.426 1.00 46.24 ? 330 HOH A O 1 HETATM 6491 O O . HOH L 9 . ? 44.170 36.187 -6.413 1.00 40.09 ? 331 HOH A O 1 HETATM 6492 O O . HOH L 9 . ? 32.762 -0.314 -25.857 1.00 42.78 ? 332 HOH A O 1 HETATM 6493 O O . HOH L 9 . ? 32.388 13.070 -7.320 1.00 37.04 ? 333 HOH A O 1 HETATM 6494 O O . HOH L 9 . ? 35.251 19.428 -34.069 1.00 31.52 ? 334 HOH A O 1 HETATM 6495 O O . HOH L 9 . ? 43.333 6.481 -15.130 1.00 58.26 ? 335 HOH A O 1 HETATM 6496 O O . HOH L 9 . ? 43.264 32.946 -27.584 1.00 35.63 ? 336 HOH A O 1 HETATM 6497 O O . HOH L 9 . ? 34.466 21.091 5.947 1.00 43.67 ? 337 HOH A O 1 HETATM 6498 O O . HOH L 9 . ? 41.426 24.806 -34.921 1.00 42.94 ? 338 HOH A O 1 HETATM 6499 O O . HOH L 9 . ? 23.626 8.160 -12.257 1.00 59.35 ? 339 HOH A O 1 HETATM 6500 O O . HOH L 9 . ? 41.720 15.235 -12.970 1.00 30.30 ? 340 HOH A O 1 HETATM 6501 O O . HOH L 9 . ? 34.547 34.653 -24.027 1.00 31.01 ? 341 HOH A O 1 HETATM 6502 O O . HOH L 9 . ? 21.259 16.638 -5.713 1.00 54.11 ? 342 HOH A O 1 HETATM 6503 O O . HOH L 9 . ? 58.644 2.577 -28.794 1.00 33.45 ? 343 HOH A O 1 HETATM 6504 O O . HOH L 9 . ? 42.199 33.364 -3.326 1.00 50.98 ? 344 HOH A O 1 HETATM 6505 O O . HOH L 9 . ? 18.756 22.359 -20.097 1.00 39.08 ? 345 HOH A O 1 HETATM 6506 O O . HOH L 9 . ? 29.629 22.685 -33.770 1.00 38.29 ? 346 HOH A O 1 HETATM 6507 O O . HOH L 9 . ? 47.283 23.259 -6.900 1.00 47.33 ? 347 HOH A O 1 HETATM 6508 O O . HOH L 9 . ? 35.165 32.317 -24.719 1.00 33.15 ? 348 HOH A O 1 HETATM 6509 O O . HOH L 9 . ? 33.270 15.671 -37.780 1.00 40.99 ? 349 HOH A O 1 HETATM 6510 O O . HOH L 9 . ? 27.080 25.415 -0.533 1.00 38.07 ? 350 HOH A O 1 HETATM 6511 O O . HOH L 9 . ? 60.976 0.731 -28.798 1.00 46.95 ? 351 HOH A O 1 HETATM 6512 O O . HOH L 9 . ? 31.328 38.839 -0.199 1.00 35.91 ? 352 HOH A O 1 HETATM 6513 O O . HOH L 9 . ? 40.331 23.915 3.823 1.00 38.30 ? 353 HOH A O 1 HETATM 6514 O O . HOH L 9 . ? 34.427 14.654 -3.557 1.00 48.32 ? 354 HOH A O 1 HETATM 6515 O O . HOH L 9 . ? 49.203 13.902 -25.778 1.00 41.40 ? 355 HOH A O 1 HETATM 6516 O O . HOH L 9 . ? 44.718 28.202 -17.105 1.00 40.21 ? 356 HOH A O 1 HETATM 6517 O O . HOH L 9 . ? 30.780 40.771 -17.969 1.00 36.33 ? 357 HOH A O 1 HETATM 6518 O O . HOH L 9 . ? 33.257 37.622 -20.815 1.00 29.08 ? 358 HOH A O 1 HETATM 6519 O O . HOH L 9 . ? 40.686 15.883 -37.255 0.50 28.70 ? 359 HOH A O 1 HETATM 6520 O O . HOH L 9 . ? 37.721 24.844 -23.255 1.00 25.19 ? 360 HOH A O 1 HETATM 6521 O O . HOH L 9 . ? 55.608 11.735 -13.469 1.00 44.16 ? 361 HOH A O 1 HETATM 6522 O O . HOH L 9 . ? 39.119 26.272 -24.808 1.00 24.09 ? 362 HOH A O 1 HETATM 6523 O O . HOH L 9 . ? 35.301 11.902 -37.143 1.00 37.56 ? 363 HOH A O 1 HETATM 6524 O O . HOH L 9 . ? 39.181 28.542 -35.054 1.00 46.37 ? 364 HOH A O 1 HETATM 6525 O O . HOH L 9 . ? 39.212 19.326 -1.316 1.00 39.02 ? 365 HOH A O 1 HETATM 6526 O O . HOH L 9 . ? 34.711 31.989 3.608 1.00 31.33 ? 366 HOH A O 1 HETATM 6527 O O . HOH L 9 . ? 44.256 28.262 -19.853 1.00 41.65 ? 367 HOH A O 1 HETATM 6528 O O . HOH L 9 . ? 38.348 14.754 -11.064 1.00 38.69 ? 368 HOH A O 1 HETATM 6529 O O . HOH L 9 . ? 24.457 28.515 -14.196 1.00 26.95 ? 369 HOH A O 1 HETATM 6530 O O . HOH L 9 . ? 40.981 28.101 -3.019 1.00 45.08 ? 370 HOH A O 1 HETATM 6531 O O . HOH L 9 . ? 36.986 31.061 -31.163 1.00 45.05 ? 371 HOH A O 1 HETATM 6532 O O . HOH L 9 . ? 34.936 31.372 -27.210 1.00 36.00 ? 372 HOH A O 1 HETATM 6533 O O . HOH L 9 . ? 17.414 26.643 -20.630 1.00 32.66 ? 373 HOH A O 1 HETATM 6534 O O . HOH L 9 . ? 16.801 27.554 -16.246 1.00 29.47 ? 374 HOH A O 1 HETATM 6535 O O . HOH L 9 . ? 26.448 2.509 -14.483 1.00 55.64 ? 375 HOH A O 1 HETATM 6536 O O . HOH L 9 . ? 37.695 32.043 -23.621 1.00 31.89 ? 376 HOH A O 1 HETATM 6537 O O . HOH L 9 . ? 40.321 37.926 -22.727 1.00 42.18 ? 377 HOH A O 1 HETATM 6538 O O . HOH L 9 . ? 41.037 3.959 -14.609 1.00 58.69 ? 378 HOH A O 1 HETATM 6539 O O . HOH L 9 . ? 24.576 22.183 -2.667 1.00 36.15 ? 379 HOH A O 1 HETATM 6540 O O . HOH L 9 . ? 48.254 31.941 -17.221 1.00 57.82 ? 380 HOH A O 1 HETATM 6541 O O . HOH L 9 . ? 37.475 17.811 0.431 1.00 40.41 ? 381 HOH A O 1 HETATM 6542 O O . HOH L 9 . ? 26.423 3.675 -17.521 1.00 49.01 ? 382 HOH A O 1 HETATM 6543 O O . HOH L 9 . ? 41.755 2.306 -33.262 1.00 51.02 ? 383 HOH A O 1 HETATM 6544 O O . HOH L 9 . ? 31.537 8.673 -35.444 1.00 40.10 ? 384 HOH A O 1 HETATM 6545 O O . HOH L 9 . ? 66.944 -2.997 -24.978 1.00 52.10 ? 385 HOH A O 1 HETATM 6546 O O . HOH L 9 . ? 31.870 22.589 2.271 1.00 39.65 ? 386 HOH A O 1 HETATM 6547 O O . HOH L 9 . ? 64.980 -13.068 -23.608 1.00 65.77 ? 387 HOH A O 1 HETATM 6548 O O . HOH L 9 . ? 61.331 10.399 -11.535 1.00 50.43 ? 388 HOH A O 1 HETATM 6549 O O . HOH L 9 . ? 28.451 7.387 -15.352 1.00 48.68 ? 389 HOH A O 1 HETATM 6550 O O . HOH L 9 . ? 68.317 -12.081 -13.906 1.00 83.26 ? 390 HOH A O 1 HETATM 6551 O O . HOH L 9 . ? 44.931 21.152 -4.035 1.00 42.29 ? 391 HOH A O 1 HETATM 6552 O O . HOH L 9 . ? 38.624 38.059 -16.708 1.00 38.29 ? 392 HOH A O 1 HETATM 6553 O O . HOH L 9 . ? 28.652 6.264 -28.710 1.00 50.66 ? 393 HOH A O 1 HETATM 6554 O O . HOH L 9 . ? 20.762 8.206 -14.716 1.00 54.10 ? 394 HOH A O 1 HETATM 6555 O O . HOH L 9 . ? 63.502 9.591 -12.940 1.00 55.66 ? 395 HOH A O 1 HETATM 6556 O O . HOH L 9 . ? 18.463 16.187 -17.649 1.00 43.05 ? 396 HOH A O 1 HETATM 6557 O O . HOH L 9 . ? 47.894 35.967 -14.085 1.00 46.57 ? 397 HOH A O 1 HETATM 6558 O O . HOH L 9 . ? 34.897 41.566 -15.512 1.00 36.13 ? 398 HOH A O 1 HETATM 6559 O O . HOH L 9 . ? 59.530 -3.099 -10.720 1.00 62.23 ? 399 HOH A O 1 HETATM 6560 O O . HOH L 9 . ? 53.260 9.188 -23.215 1.00 38.75 ? 400 HOH A O 1 HETATM 6561 O O . HOH L 9 . ? 39.424 12.104 -38.284 0.50 29.66 ? 401 HOH A O 1 HETATM 6562 O O . HOH L 9 . ? 44.316 12.383 -35.518 1.00 48.67 ? 402 HOH A O 1 HETATM 6563 O O . HOH L 9 . ? 22.611 24.375 -12.418 1.00 47.57 ? 403 HOH A O 1 HETATM 6564 O O . HOH L 9 . ? 19.938 26.967 -3.444 1.00 35.91 ? 404 HOH A O 1 HETATM 6565 O O . HOH L 9 . ? 50.220 33.749 -13.798 1.00 46.97 ? 405 HOH A O 1 HETATM 6566 O O . HOH L 9 . ? 35.329 17.074 -37.744 1.00 41.62 ? 406 HOH A O 1 HETATM 6567 O O . HOH L 9 . ? 36.615 18.340 -35.802 1.00 57.28 ? 407 HOH A O 1 HETATM 6568 O O . HOH L 9 . ? 41.395 13.521 -36.645 1.00 36.57 ? 408 HOH A O 1 HETATM 6569 O O . HOH L 9 . ? 45.903 26.030 -10.157 1.00 44.92 ? 409 HOH A O 1 HETATM 6570 O O . HOH L 9 . ? 24.467 25.872 -12.761 1.00 33.93 ? 410 HOH A O 1 HETATM 6571 O O . HOH L 9 . ? 51.916 14.408 -24.127 1.00 44.72 ? 411 HOH A O 1 HETATM 6572 O O . HOH L 9 . ? 35.354 7.697 -34.984 1.00 40.05 ? 412 HOH A O 1 HETATM 6573 O O . HOH L 9 . ? 31.574 25.851 -35.281 1.00 47.77 ? 413 HOH A O 1 HETATM 6574 O O . HOH L 9 . ? 16.104 25.934 -8.651 1.00 59.21 ? 414 HOH A O 1 HETATM 6575 O O . HOH L 9 . ? 46.739 26.244 -26.563 1.00 54.64 ? 415 HOH A O 1 HETATM 6576 O O . HOH M 9 . ? 52.160 18.149 -11.984 1.00 32.94 ? 100 HOH B O 1 HETATM 6577 O O . HOH M 9 . ? 44.027 14.850 -14.290 1.00 31.30 ? 101 HOH B O 1 HETATM 6578 O O . HOH M 9 . ? 49.496 17.454 -26.155 1.00 33.16 ? 102 HOH B O 1 HETATM 6579 O O . HOH M 9 . ? 64.773 3.568 -28.242 1.00 36.03 ? 103 HOH B O 1 HETATM 6580 O O . HOH M 9 . ? 47.410 12.229 -12.075 1.00 45.83 ? 104 HOH B O 1 HETATM 6581 O O . HOH M 9 . ? 60.058 11.829 -26.695 1.00 38.62 ? 105 HOH B O 1 HETATM 6582 O O . HOH M 9 . ? 59.242 16.983 -13.787 1.00 37.55 ? 106 HOH B O 1 HETATM 6583 O O . HOH M 9 . ? 68.103 8.083 -31.526 1.00 46.46 ? 107 HOH B O 1 HETATM 6584 O O . HOH M 9 . ? 77.969 28.497 -25.581 1.00 48.71 ? 108 HOH B O 1 HETATM 6585 O O . HOH M 9 . ? 54.513 31.842 -13.619 1.00 45.27 ? 109 HOH B O 1 HETATM 6586 O O . HOH M 9 . ? 62.157 2.890 -27.554 1.00 45.28 ? 118 HOH B O 1 HETATM 6587 O O . HOH M 9 . ? 42.003 16.522 -10.720 1.00 36.78 ? 139 HOH B O 1 HETATM 6588 O O . HOH M 9 . ? 61.507 32.239 -12.597 1.00 53.99 ? 165 HOH B O 1 HETATM 6589 O O . HOH M 9 . ? 51.635 24.264 -25.439 1.00 41.44 ? 172 HOH B O 1 HETATM 6590 O O . HOH M 9 . ? 46.025 23.064 -22.628 1.00 30.90 ? 174 HOH B O 1 HETATM 6591 O O . HOH M 9 . ? 69.097 30.399 -15.297 1.00 72.69 ? 175 HOH B O 1 HETATM 6592 O O . HOH M 9 . ? 57.513 13.131 -12.390 1.00 40.50 ? 185 HOH B O 1 HETATM 6593 O O . HOH M 9 . ? 41.309 17.034 -5.402 1.00 44.82 ? 186 HOH B O 1 HETATM 6594 O O . HOH M 9 . ? 66.485 15.425 -14.938 1.00 47.84 ? 191 HOH B O 1 HETATM 6595 O O . HOH M 9 . ? 70.151 6.984 -30.434 1.00 50.08 ? 204 HOH B O 1 HETATM 6596 O O . HOH M 9 . ? 63.769 26.852 -26.522 1.00 48.86 ? 213 HOH B O 1 HETATM 6597 O O . HOH M 9 . ? 71.464 20.040 -14.200 1.00 51.39 ? 226 HOH B O 1 HETATM 6598 O O . HOH M 9 . ? 52.402 12.544 -18.039 1.00 36.58 ? 229 HOH B O 1 HETATM 6599 O O . HOH M 9 . ? 63.111 29.827 -19.881 1.00 62.99 ? 237 HOH B O 1 HETATM 6600 O O . HOH M 9 . ? 57.110 28.000 -22.807 1.00 43.14 ? 246 HOH B O 1 HETATM 6601 O O . HOH M 9 . ? 71.545 9.545 -29.691 1.00 47.43 ? 247 HOH B O 1 HETATM 6602 O O . HOH M 9 . ? 54.737 27.192 -22.590 1.00 53.07 ? 252 HOH B O 1 HETATM 6603 O O . HOH M 9 . ? 59.282 11.086 -29.386 1.00 47.53 ? 258 HOH B O 1 HETATM 6604 O O . HOH M 9 . ? 51.967 15.164 -21.958 1.00 46.35 ? 267 HOH B O 1 HETATM 6605 O O . HOH M 9 . ? 67.985 32.141 -22.660 1.00 62.93 ? 269 HOH B O 1 HETATM 6606 O O . HOH M 9 . ? 45.961 12.340 -17.561 1.00 59.15 ? 271 HOH B O 1 HETATM 6607 O O . HOH M 9 . ? 69.453 28.153 -13.367 1.00 60.09 ? 272 HOH B O 1 HETATM 6608 O O . HOH M 9 . ? 63.640 19.651 -10.706 1.00 44.59 ? 280 HOH B O 1 HETATM 6609 O O . HOH M 9 . ? 69.230 14.291 -17.498 1.00 41.86 ? 294 HOH B O 1 HETATM 6610 O O . HOH M 9 . ? 75.883 16.280 -26.141 1.00 44.97 ? 311 HOH B O 1 HETATM 6611 O O . HOH M 9 . ? 72.952 24.111 -22.886 1.00 45.69 ? 312 HOH B O 1 HETATM 6612 O O . HOH M 9 . ? 65.719 28.933 -9.788 1.00 66.19 ? 325 HOH B O 1 HETATM 6613 O O . HOH M 9 . ? 74.388 18.435 -21.448 1.00 38.11 ? 333 HOH B O 1 HETATM 6614 O O . HOH M 9 . ? 57.883 15.420 -32.947 1.00 62.35 ? 334 HOH B O 1 HETATM 6615 O O . HOH M 9 . ? 73.608 4.062 -24.708 1.00 60.53 ? 341 HOH B O 1 HETATM 6616 O O . HOH M 9 . ? 49.278 16.908 -23.336 1.00 56.59 ? 350 HOH B O 1 HETATM 6617 O O . HOH M 9 . ? 46.173 19.006 -4.392 1.00 47.02 ? 358 HOH B O 1 HETATM 6618 O O . HOH M 9 . ? 48.496 13.951 -8.766 1.00 45.84 ? 364 HOH B O 1 HETATM 6619 O O . HOH M 9 . ? 52.178 29.008 -19.978 1.00 51.40 ? 373 HOH B O 1 HETATM 6620 O O . HOH M 9 . ? 62.879 33.277 -29.502 1.00 65.50 ? 392 HOH B O 1 HETATM 6621 O O . HOH M 9 . ? 47.339 23.876 -9.450 1.00 36.04 ? 408 HOH B O 1 HETATM 6622 O O . HOH M 9 . ? 46.955 28.114 -9.319 1.00 55.14 ? 410 HOH B O 1 HETATM 6623 O O . HOH N 9 . ? 6.177 42.243 -31.110 1.00 25.76 ? 211 HOH C O 1 HETATM 6624 O O . HOH N 9 . ? -14.129 60.937 -24.161 1.00 27.12 ? 212 HOH C O 1 HETATM 6625 O O . HOH N 9 . ? 23.791 30.563 -12.464 1.00 30.04 ? 213 HOH C O 1 HETATM 6626 O O . HOH N 9 . ? 18.506 36.071 -17.595 1.00 27.56 ? 214 HOH C O 1 HETATM 6627 O O . HOH N 9 . ? -0.119 51.899 -28.343 1.00 39.84 ? 215 HOH C O 1 HETATM 6628 O O . HOH N 9 . ? 8.978 29.226 -35.488 1.00 56.14 ? 216 HOH C O 1 HETATM 6629 O O . HOH N 9 . ? -4.975 38.148 -18.597 1.00 54.01 ? 217 HOH C O 1 HETATM 6630 O O . HOH N 9 . ? 25.364 39.660 -15.709 1.00 32.54 ? 218 HOH C O 1 HETATM 6631 O O . HOH N 9 . ? 12.266 47.629 -23.905 1.00 28.56 ? 219 HOH C O 1 HETATM 6632 O O . HOH N 9 . ? 1.471 33.020 -18.998 1.00 43.11 ? 220 HOH C O 1 HETATM 6633 O O . HOH N 9 . ? -4.368 50.860 -22.399 1.00 40.50 ? 221 HOH C O 1 HETATM 6634 O O . HOH N 9 . ? 24.044 37.103 -27.199 1.00 31.20 ? 222 HOH C O 1 HETATM 6635 O O . HOH N 9 . ? 7.280 30.547 -31.592 1.00 32.76 ? 223 HOH C O 1 HETATM 6636 O O . HOH N 9 . ? -0.839 31.185 -29.350 1.00 38.61 ? 224 HOH C O 1 HETATM 6637 O O . HOH N 9 . ? 13.346 37.730 -16.740 1.00 32.20 ? 225 HOH C O 1 HETATM 6638 O O . HOH N 9 . ? -24.692 63.483 -27.145 1.00 43.07 ? 226 HOH C O 1 HETATM 6639 O O . HOH N 9 . ? 0.409 51.821 -36.442 1.00 42.63 ? 227 HOH C O 1 HETATM 6640 O O . HOH N 9 . ? 4.346 36.613 -16.250 1.00 33.55 ? 228 HOH C O 1 HETATM 6641 O O . HOH N 9 . ? 21.154 41.956 -15.657 1.00 22.35 ? 229 HOH C O 1 HETATM 6642 O O . HOH N 9 . ? 10.234 47.560 -32.524 1.00 28.51 ? 230 HOH C O 1 HETATM 6643 O O . HOH N 9 . ? -4.712 34.121 -27.314 1.00 33.32 ? 231 HOH C O 1 HETATM 6644 O O . HOH N 9 . ? 6.521 26.941 -19.747 1.00 34.13 ? 232 HOH C O 1 HETATM 6645 O O . HOH N 9 . ? 1.846 49.190 -18.066 1.00 33.33 ? 233 HOH C O 1 HETATM 6646 O O . HOH N 9 . ? 2.938 38.316 -12.704 1.00 55.82 ? 234 HOH C O 1 HETATM 6647 O O . HOH N 9 . ? -11.019 47.619 -22.484 1.00 35.89 ? 235 HOH C O 1 HETATM 6648 O O . HOH N 9 . ? -12.476 73.908 -36.417 1.00 51.07 ? 236 HOH C O 1 HETATM 6649 O O . HOH N 9 . ? -1.389 52.502 -23.533 1.00 40.22 ? 237 HOH C O 1 HETATM 6650 O O . HOH N 9 . ? 23.684 42.678 -14.647 1.00 33.51 ? 238 HOH C O 1 HETATM 6651 O O . HOH N 9 . ? 16.526 28.726 -13.933 1.00 28.44 ? 239 HOH C O 1 HETATM 6652 O O . HOH N 9 . ? 5.100 41.471 -38.818 1.00 42.59 ? 240 HOH C O 1 HETATM 6653 O O . HOH N 9 . ? 15.390 25.064 -22.780 1.00 37.52 ? 241 HOH C O 1 HETATM 6654 O O . HOH N 9 . ? 14.790 27.355 -19.498 1.00 33.49 ? 242 HOH C O 1 HETATM 6655 O O . HOH N 9 . ? -1.761 40.769 -36.417 1.00 35.06 ? 243 HOH C O 1 HETATM 6656 O O . HOH N 9 . ? -6.726 74.260 -33.487 1.00 72.62 ? 244 HOH C O 1 HETATM 6657 O O . HOH N 9 . ? 6.877 50.607 -31.934 1.00 38.49 ? 245 HOH C O 1 HETATM 6658 O O . HOH N 9 . ? -0.527 39.368 -16.405 1.00 40.78 ? 246 HOH C O 1 HETATM 6659 O O . HOH N 9 . ? 10.581 40.396 -35.402 1.00 42.69 ? 247 HOH C O 1 HETATM 6660 O O . HOH N 9 . ? 14.304 29.308 -18.059 1.00 37.37 ? 248 HOH C O 1 HETATM 6661 O O . HOH N 9 . ? 2.434 40.224 -14.185 1.00 48.40 ? 249 HOH C O 1 HETATM 6662 O O . HOH N 9 . ? -6.656 38.313 -20.423 1.00 41.17 ? 250 HOH C O 1 HETATM 6663 O O . HOH N 9 . ? 9.320 50.596 -26.164 1.00 46.20 ? 251 HOH C O 1 HETATM 6664 O O . HOH N 9 . ? -6.129 32.808 -25.167 1.00 41.98 ? 252 HOH C O 1 HETATM 6665 O O . HOH N 9 . ? 12.063 45.822 -32.657 1.00 38.76 ? 253 HOH C O 1 HETATM 6666 O O . HOH N 9 . ? 20.855 44.181 -19.905 1.00 33.29 ? 254 HOH C O 1 HETATM 6667 O O . HOH N 9 . ? 14.023 34.132 -35.578 1.00 46.97 ? 255 HOH C O 1 HETATM 6668 O O . HOH N 9 . ? 6.618 55.179 -18.862 1.00 56.87 ? 256 HOH C O 1 HETATM 6669 O O . HOH N 9 . ? 2.011 36.918 -15.314 1.00 49.28 ? 257 HOH C O 1 HETATM 6670 O O . HOH N 9 . ? -25.653 68.833 -37.591 1.00 65.13 ? 258 HOH C O 1 HETATM 6671 O O . HOH N 9 . ? -15.049 46.615 -33.608 1.00 39.94 ? 259 HOH C O 1 HETATM 6672 O O . HOH N 9 . ? 0.551 28.813 -19.459 1.00 38.03 ? 260 HOH C O 1 HETATM 6673 O O . HOH N 9 . ? -16.848 61.158 -24.347 1.00 41.44 ? 261 HOH C O 1 HETATM 6674 O O . HOH N 9 . ? 14.336 46.141 -31.224 1.00 36.59 ? 264 HOH C O 1 HETATM 6675 O O . HOH N 9 . ? 4.553 42.016 -13.876 1.00 40.70 ? 265 HOH C O 1 HETATM 6676 O O . HOH N 9 . ? -24.715 59.125 -25.030 1.00 43.77 ? 273 HOH C O 1 HETATM 6677 O O . HOH N 9 . ? -8.775 58.555 -35.927 1.00 56.64 ? 279 HOH C O 1 HETATM 6678 O O . HOH N 9 . ? -6.303 67.816 -33.054 1.00 70.76 ? 282 HOH C O 1 HETATM 6679 O O . HOH N 9 . ? 10.460 21.750 -25.461 1.00 46.65 ? 287 HOH C O 1 HETATM 6680 O O . HOH N 9 . ? 6.741 52.314 -24.310 1.00 47.81 ? 290 HOH C O 1 HETATM 6681 O O . HOH N 9 . ? 11.865 25.267 -35.782 1.00 49.29 ? 291 HOH C O 1 HETATM 6682 O O . HOH N 9 . ? -6.703 31.242 -21.783 1.00 45.96 ? 292 HOH C O 1 HETATM 6683 O O . HOH N 9 . ? 18.174 25.896 -27.479 1.00 49.05 ? 295 HOH C O 1 HETATM 6684 O O . HOH N 9 . ? -14.671 48.115 -19.955 1.00 51.69 ? 296 HOH C O 1 HETATM 6685 O O . HOH N 9 . ? 18.690 45.351 -24.068 1.00 39.08 ? 305 HOH C O 1 HETATM 6686 O O . HOH N 9 . ? -0.264 51.714 -33.669 1.00 38.87 ? 310 HOH C O 1 HETATM 6687 O O . HOH N 9 . ? -24.637 73.091 -24.497 1.00 59.15 ? 314 HOH C O 1 HETATM 6688 O O . HOH N 9 . ? 16.182 46.485 -29.127 1.00 44.51 ? 315 HOH C O 1 HETATM 6689 O O . HOH N 9 . ? -11.684 80.509 -13.880 1.00 52.99 ? 317 HOH C O 1 HETATM 6690 O O . HOH N 9 . ? -4.618 67.130 -27.799 1.00 37.70 ? 318 HOH C O 1 HETATM 6691 O O . HOH N 9 . ? 18.761 25.327 -29.864 1.00 58.17 ? 327 HOH C O 1 HETATM 6692 O O . HOH N 9 . ? -13.954 49.188 -33.595 1.00 39.48 ? 336 HOH C O 1 HETATM 6693 O O . HOH N 9 . ? 12.939 22.072 -22.984 1.00 45.41 ? 338 HOH C O 1 HETATM 6694 O O . HOH N 9 . ? -13.890 46.859 -22.682 1.00 55.30 ? 346 HOH C O 1 HETATM 6695 O O . HOH N 9 . ? 2.015 52.520 -26.466 1.00 42.01 ? 353 HOH C O 1 HETATM 6696 O O . HOH N 9 . ? 1.693 34.374 -16.713 1.00 49.30 ? 360 HOH C O 1 HETATM 6697 O O . HOH N 9 . ? -17.010 48.737 -26.356 1.00 50.11 ? 362 HOH C O 1 HETATM 6698 O O . HOH N 9 . ? -13.003 47.646 -25.810 1.00 43.17 ? 363 HOH C O 1 HETATM 6699 O O . HOH N 9 . ? -18.633 58.179 -28.818 1.00 41.06 ? 371 HOH C O 1 HETATM 6700 O O . HOH N 9 . ? 13.872 23.687 -21.018 1.00 45.65 ? 386 HOH C O 1 HETATM 6701 O O . HOH N 9 . ? -20.218 51.449 -25.583 1.00 53.76 ? 391 HOH C O 1 HETATM 6702 O O . HOH N 9 . ? 7.399 25.195 -18.077 1.00 49.00 ? 406 HOH C O 1 HETATM 6703 O O . HOH N 9 . ? -1.446 54.733 -28.359 1.00 49.70 ? 407 HOH C O 1 HETATM 6704 O O . HOH O 9 . ? -13.181 56.787 -6.026 1.00 46.79 ? 242 HOH D O 1 HETATM 6705 O O . HOH O 9 . ? 14.537 33.085 -7.153 1.00 46.14 ? 243 HOH D O 1 HETATM 6706 O O . HOH O 9 . ? 6.576 70.392 -15.912 1.00 31.20 ? 244 HOH D O 1 HETATM 6707 O O . HOH O 9 . ? 23.864 43.892 0.720 1.00 49.12 ? 245 HOH D O 1 HETATM 6708 O O . HOH O 9 . ? 23.047 60.512 -22.032 1.00 38.58 ? 246 HOH D O 1 HETATM 6709 O O . HOH O 9 . ? 28.241 54.710 -21.615 1.00 34.00 ? 247 HOH D O 1 HETATM 6710 O O . HOH O 9 . ? 23.077 66.528 -24.040 1.00 44.94 ? 248 HOH D O 1 HETATM 6711 O O . HOH O 9 . ? 20.037 43.060 -17.626 1.00 21.98 ? 249 HOH D O 1 HETATM 6712 O O . HOH O 9 . ? 16.251 69.454 -23.056 1.00 43.20 ? 250 HOH D O 1 HETATM 6713 O O . HOH O 9 . ? 15.928 66.974 -23.472 1.00 46.43 ? 251 HOH D O 1 HETATM 6714 O O . HOH O 9 . ? -7.746 60.236 -12.033 1.00 28.53 ? 252 HOH D O 1 HETATM 6715 O O . HOH O 9 . ? 19.336 38.127 -2.865 1.00 34.09 ? 253 HOH D O 1 HETATM 6716 O O . HOH O 9 . ? 22.247 36.590 -5.794 1.00 29.77 ? 254 HOH D O 1 HETATM 6717 O O . HOH O 9 . ? -7.757 57.899 -3.554 1.00 29.57 ? 255 HOH D O 1 HETATM 6718 O O . HOH O 9 . ? -6.913 59.820 -14.542 1.00 39.32 ? 256 HOH D O 1 HETATM 6719 O O . HOH O 9 . ? -11.969 52.890 -9.299 1.00 54.72 ? 257 HOH D O 1 HETATM 6720 O O . HOH O 9 . ? -28.507 59.578 -14.474 1.00 48.84 ? 258 HOH D O 1 HETATM 6721 O O . HOH O 9 . ? -15.248 59.440 -0.073 1.00 29.97 ? 259 HOH D O 1 HETATM 6722 O O . HOH O 9 . ? -12.944 54.776 -10.787 1.00 30.62 ? 260 HOH D O 1 HETATM 6723 O O . HOH O 9 . ? 16.660 52.760 -23.987 1.00 31.19 ? 261 HOH D O 1 HETATM 6724 O O . HOH O 9 . ? 29.157 51.437 -10.955 1.00 36.08 ? 262 HOH D O 1 HETATM 6725 O O . HOH O 9 . ? 11.382 50.042 -24.863 1.00 38.57 ? 263 HOH D O 1 HETATM 6726 O O . HOH O 9 . ? 25.166 56.547 -20.600 1.00 36.22 ? 264 HOH D O 1 HETATM 6727 O O . HOH O 9 . ? 11.387 62.559 -19.905 1.00 40.45 ? 265 HOH D O 1 HETATM 6728 O O . HOH O 9 . ? -14.873 58.709 -5.074 1.00 32.90 ? 266 HOH D O 1 HETATM 6729 O O . HOH O 9 . ? 10.369 64.551 -21.412 1.00 44.79 ? 267 HOH D O 1 HETATM 6730 O O . HOH O 9 . ? 3.936 39.621 -4.923 1.00 64.88 ? 268 HOH D O 1 HETATM 6731 O O . HOH O 9 . ? 21.410 46.951 -21.734 1.00 29.11 ? 269 HOH D O 1 HETATM 6732 O O . HOH O 9 . ? -21.823 74.216 -17.851 1.00 37.34 ? 270 HOH D O 1 HETATM 6733 O O . HOH O 9 . ? 12.962 77.311 -19.314 1.00 38.35 ? 271 HOH D O 1 HETATM 6734 O O . HOH O 9 . ? 8.478 43.490 -12.706 1.00 36.98 ? 272 HOH D O 1 HETATM 6735 O O . HOH O 9 . ? -2.588 64.672 -10.101 1.00 27.99 ? 273 HOH D O 1 HETATM 6736 O O . HOH O 9 . ? 24.260 38.655 -5.125 1.00 28.79 ? 274 HOH D O 1 HETATM 6737 O O . HOH O 9 . ? 27.495 61.972 -5.170 1.00 57.40 ? 275 HOH D O 1 HETATM 6738 O O . HOH O 9 . ? 3.736 69.138 -5.219 1.00 30.67 ? 276 HOH D O 1 HETATM 6739 O O . HOH O 9 . ? 11.339 37.643 -4.475 1.00 57.91 ? 277 HOH D O 1 HETATM 6740 O O . HOH O 9 . ? 16.944 70.208 -8.104 1.00 40.95 ? 278 HOH D O 1 HETATM 6741 O O . HOH O 9 . ? 30.471 45.729 -14.749 1.00 40.32 ? 279 HOH D O 1 HETATM 6742 O O . HOH O 9 . ? 18.615 39.426 -9.993 1.00 30.80 ? 280 HOH D O 1 HETATM 6743 O O . HOH O 9 . ? -1.272 78.443 -11.150 1.00 38.54 ? 281 HOH D O 1 HETATM 6744 O O . HOH O 9 . ? -1.806 63.549 -16.825 1.00 31.03 ? 282 HOH D O 1 HETATM 6745 O O . HOH O 9 . ? 16.077 60.813 -5.056 1.00 46.25 ? 283 HOH D O 1 HETATM 6746 O O . HOH O 9 . ? 7.150 48.399 -13.790 1.00 38.46 ? 284 HOH D O 1 HETATM 6747 O O . HOH O 9 . ? 6.854 79.601 -5.210 1.00 45.21 ? 285 HOH D O 1 HETATM 6748 O O . HOH O 9 . ? 19.156 57.619 -26.471 1.00 50.22 ? 286 HOH D O 1 HETATM 6749 O O . HOH O 9 . ? 17.816 65.190 -7.154 1.00 43.69 ? 287 HOH D O 1 HETATM 6750 O O . HOH O 9 . ? -5.716 59.436 -23.440 1.00 43.46 ? 288 HOH D O 1 HETATM 6751 O O . HOH O 9 . ? 15.607 44.745 0.857 1.00 44.51 ? 289 HOH D O 1 HETATM 6752 O O . HOH O 9 . ? -5.728 77.712 -11.242 1.00 32.12 ? 290 HOH D O 1 HETATM 6753 O O . HOH O 9 . ? -19.713 74.113 -6.725 1.00 39.85 ? 291 HOH D O 1 HETATM 6754 O O . HOH O 9 . ? -5.603 61.594 -16.066 1.00 30.05 ? 292 HOH D O 1 HETATM 6755 O O . HOH O 9 . ? 6.968 63.179 -19.783 1.00 54.46 ? 293 HOH D O 1 HETATM 6756 O O . HOH O 9 . ? 12.521 28.775 -15.500 1.00 37.26 ? 294 HOH D O 1 HETATM 6757 O O . HOH O 9 . ? 30.047 55.579 -14.931 1.00 39.72 ? 295 HOH D O 1 HETATM 6758 O O . HOH O 9 . ? 26.488 39.573 -3.601 1.00 39.12 ? 296 HOH D O 1 HETATM 6759 O O . HOH O 9 . ? 4.472 78.999 -8.414 1.00 40.60 ? 297 HOH D O 1 HETATM 6760 O O . HOH O 9 . ? 8.171 70.098 -22.567 1.00 45.23 ? 298 HOH D O 1 HETATM 6761 O O . HOH O 9 . ? 0.489 64.275 -6.855 1.00 32.18 ? 299 HOH D O 1 HETATM 6762 O O . HOH O 9 . ? 32.976 53.452 -19.117 1.00 57.30 ? 300 HOH D O 1 HETATM 6763 O O . HOH O 9 . ? 21.084 41.271 3.701 1.00 61.28 ? 301 HOH D O 1 HETATM 6764 O O . HOH O 9 . ? 20.452 59.820 -25.525 1.00 58.81 ? 302 HOH D O 1 HETATM 6765 O O . HOH O 9 . ? -23.271 71.327 -2.341 1.00 42.04 ? 303 HOH D O 1 HETATM 6766 O O . HOH O 9 . ? 13.074 70.217 -9.476 1.00 41.84 ? 304 HOH D O 1 HETATM 6767 O O . HOH O 9 . ? -0.234 75.662 -6.320 1.00 33.44 ? 305 HOH D O 1 HETATM 6768 O O . HOH O 9 . ? -15.894 58.069 -2.666 1.00 41.69 ? 306 HOH D O 1 HETATM 6769 O O . HOH O 9 . ? 10.422 66.259 -8.483 1.00 44.76 ? 307 HOH D O 1 HETATM 6770 O O . HOH O 9 . ? 29.268 45.433 -17.841 1.00 47.22 ? 308 HOH D O 1 HETATM 6771 O O . HOH O 9 . ? 27.150 61.357 -12.691 1.00 43.03 ? 309 HOH D O 1 HETATM 6772 O O . HOH O 9 . ? 29.090 54.148 -10.390 1.00 33.34 ? 310 HOH D O 1 HETATM 6773 O O . HOH O 9 . ? -3.845 68.360 -25.468 1.00 38.72 ? 311 HOH D O 1 HETATM 6774 O O . HOH O 9 . ? -12.744 76.532 -12.400 1.00 30.84 ? 312 HOH D O 1 HETATM 6775 O O . HOH O 9 . ? -21.868 57.809 -12.446 1.00 45.92 ? 313 HOH D O 1 HETATM 6776 O O . HOH O 9 . ? 0.540 78.664 -8.830 1.00 35.96 ? 314 HOH D O 1 HETATM 6777 O O . HOH O 9 . ? -18.054 57.849 -14.197 1.00 41.16 ? 315 HOH D O 1 HETATM 6778 O O . HOH O 9 . ? 10.683 68.696 -10.935 1.00 29.86 ? 316 HOH D O 1 HETATM 6779 O O . HOH O 9 . ? 17.410 29.558 -5.688 1.00 35.91 ? 317 HOH D O 1 HETATM 6780 O O . HOH O 9 . ? 20.818 35.825 -3.537 1.00 36.82 ? 318 HOH D O 1 HETATM 6781 O O . HOH O 9 . ? 11.570 57.944 -23.013 1.00 50.06 ? 319 HOH D O 1 HETATM 6782 O O . HOH O 9 . ? 4.925 73.208 -3.501 1.00 42.28 ? 320 HOH D O 1 HETATM 6783 O O . HOH O 9 . ? -24.024 72.444 -4.886 1.00 41.53 ? 321 HOH D O 1 HETATM 6784 O O . HOH O 9 . ? 23.356 52.037 -26.756 1.00 52.56 ? 322 HOH D O 1 HETATM 6785 O O . HOH O 9 . ? 12.642 35.012 -5.636 1.00 48.92 ? 323 HOH D O 1 HETATM 6786 O O . HOH O 9 . ? -12.032 55.854 -19.037 1.00 37.86 ? 324 HOH D O 1 HETATM 6787 O O . HOH O 9 . ? 20.146 39.585 -13.710 1.00 36.83 ? 325 HOH D O 1 HETATM 6788 O O . HOH O 9 . ? 10.938 73.828 -25.349 1.00 52.05 ? 326 HOH D O 1 HETATM 6789 O O . HOH O 9 . ? -17.988 60.754 0.846 1.00 39.31 ? 327 HOH D O 1 HETATM 6790 O O . HOH O 9 . ? -30.701 69.117 -17.931 1.00 59.19 ? 328 HOH D O 1 HETATM 6791 O O . HOH O 9 . ? 26.614 63.737 -14.880 1.00 51.27 ? 329 HOH D O 1 HETATM 6792 O O . HOH O 9 . ? 22.744 57.219 -22.311 1.00 44.61 ? 330 HOH D O 1 HETATM 6793 O O . HOH O 9 . ? 4.357 53.351 -13.439 1.00 53.20 ? 331 HOH D O 1 HETATM 6794 O O . HOH O 9 . ? 29.618 60.604 -13.033 1.00 50.70 ? 332 HOH D O 1 HETATM 6795 O O . HOH O 9 . ? 0.547 80.091 -14.799 1.00 45.16 ? 333 HOH D O 1 HETATM 6796 O O . HOH O 9 . ? -30.061 66.355 -6.246 1.00 45.35 ? 334 HOH D O 1 HETATM 6797 O O . HOH O 9 . ? 30.747 58.909 -16.236 1.00 49.03 ? 335 HOH D O 1 HETATM 6798 O O . HOH O 9 . ? 24.169 40.256 -13.471 1.00 35.90 ? 336 HOH D O 1 HETATM 6799 O O . HOH O 9 . ? -7.368 76.802 -9.190 1.00 37.58 ? 337 HOH D O 1 HETATM 6800 O O . HOH O 9 . ? 8.268 40.890 -13.570 1.00 49.48 ? 338 HOH D O 1 HETATM 6801 O O . HOH O 9 . ? 24.856 60.204 -20.059 1.00 38.46 ? 339 HOH D O 1 HETATM 6802 O O . HOH O 9 . ? 14.393 36.626 -2.321 1.00 53.15 ? 340 HOH D O 1 HETATM 6803 O O . HOH O 9 . ? 18.361 37.692 -15.570 1.00 32.91 ? 341 HOH D O 1 HETATM 6804 O O . HOH O 9 . ? 0.109 64.354 -19.377 1.00 46.62 ? 342 HOH D O 1 HETATM 6805 O O . HOH O 9 . ? 6.412 48.715 -10.668 1.00 45.66 ? 343 HOH D O 1 HETATM 6806 O O . HOH O 9 . ? 15.365 82.781 -13.175 1.00 58.14 ? 344 HOH D O 1 HETATM 6807 O O . HOH O 9 . ? -18.577 59.246 -2.669 1.00 33.09 ? 345 HOH D O 1 HETATM 6808 O O . HOH O 9 . ? 5.641 81.672 -11.834 1.00 53.46 ? 346 HOH D O 1 HETATM 6809 O O . HOH O 9 . ? 22.247 58.887 -3.259 1.00 48.22 ? 347 HOH D O 1 HETATM 6810 O O . HOH O 9 . ? 26.012 69.080 -17.821 1.00 59.16 ? 348 HOH D O 1 HETATM 6811 O O . HOH O 9 . ? 20.940 65.073 -5.754 1.00 62.19 ? 349 HOH D O 1 HETATM 6812 O O . HOH O 9 . ? -26.724 70.294 -12.977 1.00 49.00 ? 350 HOH D O 1 HETATM 6813 O O . HOH O 9 . ? 12.589 39.671 -15.544 1.00 40.24 ? 351 HOH D O 1 HETATM 6814 O O . HOH O 9 . ? -15.974 73.460 -1.150 1.00 46.95 ? 352 HOH D O 1 HETATM 6815 O O . HOH O 9 . ? 13.114 35.717 -8.097 1.00 45.58 ? 353 HOH D O 1 HETATM 6816 O O . HOH O 9 . ? 10.427 68.806 -7.715 1.00 54.73 ? 354 HOH D O 1 HETATM 6817 O O . HOH O 9 . ? -32.034 66.619 -26.205 1.00 60.05 ? 355 HOH D O 1 HETATM 6818 O O . HOH O 9 . ? 8.710 66.165 -22.031 1.00 57.43 ? 356 HOH D O 1 HETATM 6819 O O . HOH O 9 . ? 7.740 62.433 -7.613 1.00 46.26 ? 357 HOH D O 1 HETATM 6820 O O . HOH O 9 . ? 15.607 64.004 -8.300 1.00 51.17 ? 358 HOH D O 1 HETATM 6821 O O . HOH O 9 . ? 10.084 50.368 -1.427 1.00 53.75 ? 359 HOH D O 1 HETATM 6822 O O . HOH O 9 . ? -2.952 59.610 -10.929 1.00 43.42 ? 360 HOH D O 1 HETATM 6823 O O . HOH O 9 . ? 32.256 48.397 -12.927 1.00 42.66 ? 361 HOH D O 1 HETATM 6824 O O . HOH O 9 . ? 17.113 62.279 -24.362 1.00 44.30 ? 362 HOH D O 1 HETATM 6825 O O . HOH O 9 . ? -7.751 59.243 -1.259 1.00 35.18 ? 363 HOH D O 1 HETATM 6826 O O . HOH O 9 . ? 17.048 37.535 -1.202 1.00 46.16 ? 364 HOH D O 1 HETATM 6827 O O . HOH O 9 . ? 5.665 63.916 -17.462 1.00 40.99 ? 365 HOH D O 1 HETATM 6828 O O . HOH O 9 . ? -5.038 77.638 -23.928 1.00 50.60 ? 366 HOH D O 1 HETATM 6829 O O . HOH O 9 . ? -3.166 80.015 -18.621 1.00 45.99 ? 367 HOH D O 1 HETATM 6830 O O . HOH O 9 . ? 27.917 51.991 -3.298 1.00 41.32 ? 368 HOH D O 1 HETATM 6831 O O . HOH O 9 . ? 9.884 46.539 -1.528 1.00 61.57 ? 369 HOH D O 1 HETATM 6832 O O . HOH O 9 . ? 15.303 54.576 -1.831 1.00 55.95 ? 370 HOH D O 1 HETATM 6833 O O . HOH O 9 . ? -5.340 57.571 -5.293 1.00 41.26 ? 371 HOH D O 1 HETATM 6834 O O . HOH O 9 . ? 17.901 33.819 -1.531 1.00 57.67 ? 372 HOH D O 1 HETATM 6835 O O . HOH O 9 . ? 14.714 59.797 -24.711 1.00 50.50 ? 373 HOH D O 1 HETATM 6836 O O . HOH O 9 . ? -2.079 80.548 -21.252 1.00 45.18 ? 374 HOH D O 1 HETATM 6837 O O . HOH O 9 . ? -18.194 63.098 -22.884 1.00 36.97 ? 375 HOH D O 1 HETATM 6838 O O . HOH O 9 . ? 23.619 44.004 -20.619 1.00 36.22 ? 376 HOH D O 1 HETATM 6839 O O . HOH O 9 . ? 1.227 81.164 -18.198 1.00 52.04 ? 377 HOH D O 1 HETATM 6840 O O . HOH O 9 . ? 8.615 55.110 -21.305 1.00 49.66 ? 378 HOH D O 1 HETATM 6841 O O . HOH O 9 . ? 21.774 56.260 -28.556 1.00 56.23 ? 379 HOH D O 1 HETATM 6842 O O . HOH O 9 . ? 30.442 44.239 -7.305 1.00 37.20 ? 380 HOH D O 1 HETATM 6843 O O . HOH O 9 . ? -11.906 75.841 -8.010 1.00 40.94 ? 381 HOH D O 1 HETATM 6844 O O . HOH O 9 . ? -7.021 76.787 -17.072 1.00 38.18 ? 382 HOH D O 1 HETATM 6845 O O . HOH O 9 . ? 18.112 71.127 -11.605 1.00 46.32 ? 383 HOH D O 1 HETATM 6846 O O . HOH O 9 . ? 26.435 63.844 -17.559 1.00 51.85 ? 384 HOH D O 1 HETATM 6847 O O . HOH O 9 . ? -23.868 60.188 -5.533 1.00 54.95 ? 385 HOH D O 1 HETATM 6848 O O . HOH O 9 . ? 23.073 58.777 -24.270 1.00 54.84 ? 386 HOH D O 1 HETATM 6849 O O . HOH O 9 . ? -21.344 68.839 -20.523 1.00 47.25 ? 387 HOH D O 1 HETATM 6850 O O . HOH O 9 . ? 29.299 63.297 -14.664 1.00 50.67 ? 388 HOH D O 1 HETATM 6851 O O . HOH O 9 . ? 3.065 80.240 -24.964 1.00 47.63 ? 389 HOH D O 1 HETATM 6852 O O . HOH O 9 . ? 17.498 38.403 -11.734 1.00 40.60 ? 390 HOH D O 1 HETATM 6853 O O . HOH O 9 . ? 24.135 42.308 -22.735 1.00 45.33 ? 395 HOH D O 1 HETATM 6854 O O . HOH O 9 . ? 27.371 71.771 -17.729 1.00 55.65 ? 396 HOH D O 1 HETATM 6855 O O . HOH O 9 . ? 15.164 37.216 -9.005 1.00 34.46 ? 398 HOH D O 1 HETATM 6856 O O . HOH O 9 . ? 26.819 56.183 -23.230 1.00 49.91 ? 399 HOH D O 1 HETATM 6857 O O . HOH O 9 . ? 6.836 80.602 -20.717 1.00 50.42 ? 400 HOH D O 1 HETATM 6858 O O . HOH O 9 . ? -3.589 78.945 -10.073 1.00 37.19 ? 402 HOH D O 1 HETATM 6859 O O . HOH O 9 . ? -0.323 80.846 -12.316 1.00 44.81 ? 403 HOH D O 1 HETATM 6860 O O . HOH O 9 . ? 2.360 80.747 -9.051 1.00 44.24 ? 404 HOH D O 1 HETATM 6861 O O . HOH O 9 . ? 2.304 81.855 -11.735 1.00 54.38 ? 405 HOH D O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . LYS A 6 ? 1.0920 0.5300 0.7609 0.1632 0.0226 0.0157 6 LYS A N 2 C CA . LYS A 6 ? 1.1178 0.5156 0.7790 0.1335 0.0383 0.0199 6 LYS A CA 3 C C . LYS A 6 ? 1.0610 0.5056 0.7566 0.1077 0.0377 0.0213 6 LYS A C 4 O O . LYS A 6 ? 1.0398 0.5021 0.7624 0.0803 0.0397 0.0115 6 LYS A O 5 C CB . LYS A 6 ? 1.1908 0.5182 0.8026 0.1469 0.0511 0.0343 6 LYS A CB 6 N N . ASN A 7 ? 1.0315 0.4970 0.7256 0.1182 0.0338 0.0321 7 ASN A N 7 C CA . ASN A 7 ? 0.9732 0.4837 0.6979 0.0980 0.0323 0.0335 7 ASN A CA 8 C C . ASN A 7 ? 0.8957 0.4739 0.6569 0.1016 0.0168 0.0255 7 ASN A C 9 O O . ASN A 7 ? 0.8925 0.4902 0.6517 0.1264 0.0065 0.0247 7 ASN A O 10 C CB . ASN A 7 ? 0.9974 0.4951 0.7007 0.1066 0.0367 0.0484 7 ASN A CB 11 C CG . ASN A 7 ? 1.0788 0.5066 0.7440 0.1006 0.0560 0.0585 7 ASN A CG 12 O OD1 . ASN A 7 ? 1.1188 0.5205 0.7885 0.0754 0.0685 0.0532 7 ASN A OD1 13 N ND2 . ASN A 7 ? 1.1214 0.5178 0.7477 0.1238 0.0591 0.0724 7 ASN A ND2 14 N N . TYR A 8 ? 0.8258 0.4393 0.6195 0.0774 0.0159 0.0190 8 TYR A N 15 C CA . TYR A 8 ? 0.7488 0.4201 0.5735 0.0791 0.0043 0.0127 8 TYR A CA 16 C C . TYR A 8 ? 0.7047 0.4092 0.5500 0.0650 0.0034 0.0165 8 TYR A C 17 O O . TYR A 8 ? 0.7124 0.4091 0.5630 0.0440 0.0110 0.0173 8 TYR A O 18 C CB . TYR A 8 ? 0.7336 0.4183 0.5752 0.0689 0.0021 0.0000 8 TYR A CB 19 C CG . TYR A 8 ? 0.7352 0.4005 0.5616 0.0866 0.0002 -0.0063 8 TYR A CG 20 C CD1 . TYR A 8 ? 0.7645 0.3824 0.5710 0.0821 0.0074 -0.0106 8 TYR A CD1 21 C CD2 . TYR A 8 ? 0.7083 0.4036 0.5418 0.1073 -0.0079 -0.0090 8 TYR A CD2 22 C CE1 . TYR A 8 ? 0.8036 0.4021 0.5946 0.0997 0.0057 -0.0170 8 TYR A CE1 23 C CE2 . TYR A 8 ? 0.7288 0.4091 0.5491 0.1252 -0.0092 -0.0154 8 TYR A CE2 24 C CZ . TYR A 8 ? 0.7954 0.4263 0.5931 0.1222 -0.0027 -0.0191 8 TYR A CZ 25 O OH . TYR A 8 ? 0.8610 0.4748 0.6438 0.1413 -0.0039 -0.0260 8 TYR A OH 26 N N . THR A 9 ? 0.6488 0.3908 0.5066 0.0766 -0.0054 0.0178 9 THR A N 27 C CA . THR A 9 ? 0.5926 0.3668 0.4700 0.0649 -0.0071 0.0201 9 THR A CA 28 C C . THR A 9 ? 0.5392 0.3555 0.4455 0.0579 -0.0130 0.0120 9 THR A C 29 O O . THR A 9 ? 0.5257 0.3610 0.4393 0.0696 -0.0184 0.0070 9 THR A O 30 C CB . THR A 9 ? 0.5904 0.3735 0.4594 0.0807 -0.0118 0.0269 9 THR A CB 31 O OG1 . THR A 9 ? 0.6575 0.3961 0.4929 0.0906 -0.0055 0.0355 9 THR A OG1 32 C CG2 . THR A 9 ? 0.5522 0.3622 0.4380 0.0678 -0.0121 0.0293 9 THR A CG2 33 N N . PHE A 10 ? 0.5153 0.3443 0.4364 0.0390 -0.0106 0.0107 10 PHE A N 34 C CA . PHE A 10 ? 0.4684 0.3301 0.4110 0.0318 -0.0144 0.0047 10 PHE A CA 35 C C . PHE A 10 ? 0.4470 0.3341 0.4014 0.0298 -0.0167 0.0091 10 PHE A C 36 O O . PHE A 10 ? 0.4396 0.3208 0.3915 0.0225 -0.0134 0.0140 10 PHE A O 37 C CB . PHE A 10 ? 0.4680 0.3241 0.4157 0.0150 -0.0113 -0.0008 10 PHE A CB 38 C CG . PHE A 10 ? 0.4188 0.3052 0.3834 0.0092 -0.0153 -0.0062 10 PHE A CG 39 C CD1 . PHE A 10 ? 0.4081 0.3038 0.3738 0.0162 -0.0182 -0.0119 10 PHE A CD1 40 C CD2 . PHE A 10 ? 0.3704 0.2739 0.3469 -0.0016 -0.0154 -0.0055 10 PHE A CD2 41 C CE1 . PHE A 10 ? 0.3809 0.2995 0.3562 0.0127 -0.0206 -0.0154 10 PHE A CE1 42 C CE2 . PHE A 10 ? 0.3662 0.2932 0.3531 -0.0039 -0.0191 -0.0097 10 PHE A CE2 43 C CZ . PHE A 10 ? 0.3661 0.2989 0.3507 0.0034 -0.0215 -0.0141 10 PHE A CZ 44 N N . ARG A 11 ? 0.4294 0.3434 0.3963 0.0363 -0.0211 0.0066 11 ARG A N 45 C CA . ARG A 11 ? 0.4129 0.3502 0.3914 0.0351 -0.0235 0.0088 11 ARG A CA 46 C C . ARG A 11 ? 0.3758 0.3369 0.3706 0.0289 -0.0235 0.0048 11 ARG A C 47 O O . ARG A 11 ? 0.3675 0.3370 0.3667 0.0338 -0.0232 0.0004 11 ARG A O 48 C CB . ARG A 11 ? 0.4208 0.3670 0.3984 0.0502 -0.0282 0.0082 11 ARG A CB 49 C CG . ARG A 11 ? 0.4849 0.4064 0.4408 0.0617 -0.0289 0.0132 11 ARG A CG 50 C CD . ARG A 11 ? 0.5279 0.4658 0.4846 0.0794 -0.0364 0.0103 11 ARG A CD 51 N NE . ARG A 11 ? 0.5999 0.5124 0.5301 0.0928 -0.0376 0.0167 11 ARG A NE 52 C CZ . ARG A 11 ? 0.6466 0.5332 0.5550 0.1086 -0.0378 0.0186 11 ARG A CZ 53 N NH1 . ARG A 11 ? 0.6351 0.5202 0.5472 0.1126 -0.0374 0.0133 11 ARG A NH1 54 N NH2 . ARG A 11 ? 0.6905 0.5498 0.5698 0.1219 -0.0375 0.0261 11 ARG A NH2 55 N N . CYS A 12 ? 0.3563 0.3261 0.3575 0.0195 -0.0227 0.0069 12 CYS A N 56 C CA . CYS A 12 ? 0.3394 0.3271 0.3514 0.0152 -0.0218 0.0054 12 CYS A CA 57 C C . CYS A 12 ? 0.3372 0.3378 0.3568 0.0171 -0.0232 0.0063 12 CYS A C 58 O O . CYS A 12 ? 0.3514 0.3495 0.3682 0.0155 -0.0245 0.0095 12 CYS A O 59 C CB . CYS A 12 ? 0.3254 0.3129 0.3373 0.0064 -0.0212 0.0062 12 CYS A CB 60 S SG . CYS A 12 ? 0.3786 0.3536 0.3839 0.0028 -0.0214 0.0013 12 CYS A SG 61 N N . LEU A 13 ? 0.3278 0.3427 0.3575 0.0199 -0.0222 0.0023 13 LEU A N 62 C CA . LEU A 13 ? 0.3208 0.3504 0.3608 0.0212 -0.0242 -0.0004 13 LEU A CA 63 C C . LEU A 13 ? 0.3157 0.3534 0.3647 0.0127 -0.0189 -0.0013 13 LEU A C 64 O O . LEU A 13 ? 0.3171 0.3583 0.3703 0.0107 -0.0129 -0.0033 13 LEU A O 65 C CB . LEU A 13 ? 0.3158 0.3580 0.3636 0.0308 -0.0267 -0.0069 13 LEU A CB 66 C CG . LEU A 13 ? 0.3500 0.3789 0.3836 0.0431 -0.0316 -0.0054 13 LEU A CG 67 C CD1 . LEU A 13 ? 0.3265 0.3724 0.3685 0.0562 -0.0357 -0.0133 13 LEU A CD1 68 C CD2 . LEU A 13 ? 0.3376 0.3512 0.3561 0.0452 -0.0351 0.0006 13 LEU A CD2 69 N N . GLN A 14 ? 0.2961 0.3329 0.3445 0.0083 -0.0198 0.0007 14 GLN A N 70 C CA . GLN A 14 ? 0.2938 0.3325 0.3470 0.0014 -0.0143 0.0003 14 GLN A CA 71 C C . GLN A 14 ? 0.2846 0.3358 0.3511 -0.0007 -0.0149 -0.0063 14 GLN A C 72 O O . GLN A 14 ? 0.2858 0.3414 0.3521 0.0030 -0.0219 -0.0083 14 GLN A O 73 C CB . GLN A 14 ? 0.2912 0.3201 0.3344 -0.0008 -0.0146 0.0058 14 GLN A CB 74 C CG . GLN A 14 ? 0.2983 0.3234 0.3412 -0.0050 -0.0087 0.0063 14 GLN A CG 75 C CD . GLN A 14 ? 0.3257 0.3447 0.3599 -0.0041 -0.0107 0.0103 14 GLN A CD 76 O OE1 . GLN A 14 ? 0.3339 0.3528 0.3632 -0.0021 -0.0145 0.0126 14 GLN A OE1 77 N NE2 . GLN A 14 ? 0.2995 0.3142 0.3330 -0.0059 -0.0078 0.0098 14 GLN A NE2 78 N N . MET A 15 ? 0.2765 0.3330 0.3538 -0.0071 -0.0071 -0.0108 15 MET A N 79 C CA . MET A 15 ? 0.2832 0.3523 0.3763 -0.0122 -0.0068 -0.0198 15 MET A CA 80 C C . MET A 15 ? 0.2918 0.3481 0.3834 -0.0221 0.0035 -0.0186 15 MET A C 81 O O . MET A 15 ? 0.2939 0.3418 0.3829 -0.0262 0.0145 -0.0157 15 MET A O 82 C CB . MET A 15 ? 0.2833 0.3760 0.3968 -0.0111 -0.0073 -0.0308 15 MET A CB 83 C CG . MET A 15 ? 0.3120 0.4087 0.4324 -0.0139 0.0030 -0.0318 15 MET A CG 84 S SD . MET A 15 ? 0.3605 0.4794 0.4910 -0.0011 -0.0036 -0.0387 15 MET A SD 85 C CE . MET A 15 ? 0.3567 0.4497 0.4599 0.0063 -0.0044 -0.0255 15 MET A CE 86 N N . SER A 16 ? 0.2835 0.3349 0.3728 -0.0241 0.0004 -0.0200 16 SER A N 87 C CA . SER A 16 ? 0.2985 0.3318 0.3817 -0.0312 0.0095 -0.0182 16 SER A CA 88 C C . SER A 16 ? 0.3002 0.3404 0.3992 -0.0398 0.0106 -0.0304 16 SER A C 89 O O . SER A 16 ? 0.2894 0.3404 0.3920 -0.0361 -0.0001 -0.0364 16 SER A O 90 C CB . SER A 16 ? 0.2854 0.3033 0.3489 -0.0248 0.0055 -0.0094 16 SER A CB 91 O OG . SER A 16 ? 0.3075 0.3207 0.3586 -0.0184 0.0045 -0.0007 16 SER A OG 92 N N . SER A 17 ? 0.3078 0.3402 0.4148 -0.0515 0.0244 -0.0346 17 SER A N 93 C CA . SER A 17 ? 0.3344 0.3698 0.4572 -0.0629 0.0276 -0.0479 17 SER A CA 94 C C . SER A 17 ? 0.3505 0.3518 0.4559 -0.0679 0.0382 -0.0427 17 SER A C 95 O O . SER A 17 ? 0.3670 0.3439 0.4563 -0.0689 0.0514 -0.0324 17 SER A O 96 C CB . SER A 17 ? 0.3286 0.3821 0.4788 -0.0757 0.0378 -0.0601 17 SER A CB 97 O OG . SER A 17 ? 0.3706 0.4556 0.5351 -0.0677 0.0271 -0.0651 17 SER A OG 98 N N . PHE A 18 ? 0.3424 0.3412 0.4490 -0.0694 0.0323 -0.0506 18 PHE A N 99 C CA . PHE A 18 ? 0.3667 0.3327 0.4584 -0.0740 0.0418 -0.0490 18 PHE A CA 100 C C . PHE A 18 ? 0.3915 0.3634 0.5061 -0.0899 0.0457 -0.0681 18 PHE A C 101 O O . PHE A 18 ? 0.3767 0.3667 0.5009 -0.0877 0.0322 -0.0799 18 PHE A O 102 C CB . PHE A 18 ? 0.3629 0.3204 0.4343 -0.0603 0.0306 -0.0426 18 PHE A CB 103 C CG . PHE A 18 ? 0.3544 0.3108 0.4076 -0.0460 0.0258 -0.0270 18 PHE A CG 104 C CD1 . PHE A 18 ? 0.3165 0.2984 0.3760 -0.0389 0.0140 -0.0254 18 PHE A CD1 105 C CD2 . PHE A 18 ? 0.3763 0.3052 0.4052 -0.0390 0.0327 -0.0153 18 PHE A CD2 106 C CE1 . PHE A 18 ? 0.3393 0.3204 0.3850 -0.0285 0.0103 -0.0137 18 PHE A CE1 107 C CE2 . PHE A 18 ? 0.3791 0.3120 0.3947 -0.0263 0.0268 -0.0043 18 PHE A CE2 108 C CZ . PHE A 18 ? 0.3463 0.3056 0.3721 -0.0229 0.0161 -0.0042 18 PHE A CZ 109 N N . ALA A 19 ? 0.4153 0.3716 0.5378 -0.1060 0.0647 -0.0717 19 ALA A N 110 C CA . ALA A 19 ? 0.4462 0.4087 0.5954 -0.1257 0.0720 -0.0921 19 ALA A CA 111 C C . ALA A 19 ? 0.4795 0.4101 0.6153 -0.1298 0.0750 -0.0970 19 ALA A C 112 O O . ALA A 19 ? 0.4900 0.4337 0.6474 -0.1410 0.0711 -0.1173 19 ALA A O 113 C CB . ALA A 19 ? 0.4594 0.4141 0.6218 -0.1435 0.0954 -0.0938 19 ALA A CB 114 N N . ASN A 20 ? 0.5076 0.3968 0.6078 -0.1202 0.0820 -0.0797 20 ASN A N 115 C CA . ASN A 20 ? 0.5527 0.4048 0.6328 -0.1198 0.0855 -0.0813 20 ASN A CA 116 C C . ASN A 20 ? 0.5595 0.3817 0.6001 -0.0992 0.0854 -0.0595 20 ASN A C 117 O O . ASN A 20 ? 0.5342 0.3706 0.5679 -0.0871 0.0797 -0.0467 20 ASN A O 118 C CB . ASN A 20 ? 0.6026 0.4220 0.6887 -0.1426 0.1086 -0.0910 20 ASN A CB 119 C CG . ASN A 20 ? 0.6531 0.4539 0.7333 -0.1504 0.1304 -0.0794 20 ASN A CG 120 O OD1 . ASN A 20 ? 0.6708 0.4463 0.7179 -0.1348 0.1348 -0.0586 20 ASN A OD1 121 N ND2 . ASN A 20 ? 0.7108 0.5269 0.8233 -0.1733 0.1440 -0.0934 20 ASN A ND2 122 N N . ARG A 21 ? 0.6018 0.3830 0.6171 -0.0949 0.0918 -0.0568 21 ARG A N 123 C CA . ARG A 21 ? 0.6140 0.3699 0.5925 -0.0726 0.0898 -0.0390 21 ARG A CA 124 C C . ARG A 21 ? 0.6320 0.3716 0.5901 -0.0650 0.1002 -0.0212 21 ARG A C 125 O O . ARG A 21 ? 0.6271 0.3701 0.5660 -0.0449 0.0911 -0.0087 21 ARG A O 126 C CB . ARG A 21 ? 0.6525 0.3625 0.6059 -0.0689 0.0972 -0.0405 21 ARG A CB 127 N N . SER A 22 ? 0.6592 0.3824 0.6213 -0.0806 0.1192 -0.0209 22 SER A N 128 C CA . SER A 22 ? 0.6916 0.3913 0.6265 -0.0714 0.1311 -0.0036 22 SER A CA 129 C C . SER A 22 ? 0.6665 0.4010 0.6203 -0.0754 0.1298 -0.0016 22 SER A C 130 O O . SER A 22 ? 0.6766 0.4139 0.6117 -0.0590 0.1252 0.0114 22 SER A O 131 C CB . SER A 22 ? 0.7613 0.4025 0.6714 -0.0804 0.1580 0.0007 22 SER A CB 132 O OG . SER A 22 ? 0.7838 0.4265 0.7239 -0.1088 0.1720 -0.0150 22 SER A OG 133 N N . TRP A 23 ? 0.6355 0.3987 0.6267 -0.0957 0.1326 -0.0160 23 TRP A N 134 C CA . TRP A 23 ? 0.5857 0.3823 0.5978 -0.1005 0.1330 -0.0167 23 TRP A CA 135 C C . TRP A 23 ? 0.5358 0.3800 0.5651 -0.0893 0.1083 -0.0191 23 TRP A C 136 O O . TRP A 23 ? 0.5065 0.3754 0.5547 -0.0903 0.0931 -0.0305 23 TRP A O 137 C CB . TRP A 23 ? 0.5845 0.3942 0.6318 -0.1262 0.1465 -0.0336 23 TRP A CB 138 C CG . TRP A 23 ? 0.5645 0.4008 0.6319 -0.1335 0.1541 -0.0351 23 TRP A CG 139 C CD1 . TRP A 23 ? 0.5860 0.4004 0.6476 -0.1449 0.1800 -0.0304 23 TRP A CD1 140 C CD2 . TRP A 23 ? 0.5194 0.4079 0.6149 -0.1294 0.1374 -0.0421 23 TRP A CD2 141 N NE1 . TRP A 23 ? 0.5728 0.4257 0.6593 -0.1482 0.1800 -0.0350 23 TRP A NE1 142 C CE2 . TRP A 23 ? 0.5267 0.4246 0.6339 -0.1383 0.1536 -0.0422 23 TRP A CE2 143 C CE3 . TRP A 23 ? 0.4886 0.4138 0.5977 -0.1183 0.1116 -0.0478 23 TRP A CE3 144 C CZ2 . TRP A 23 ? 0.4934 0.4374 0.6268 -0.1353 0.1435 -0.0489 23 TRP A CZ2 145 C CZ3 . TRP A 23 ? 0.4376 0.4048 0.5700 -0.1152 0.1021 -0.0532 23 TRP A CZ3 146 C CH2 . TRP A 23 ? 0.4515 0.4281 0.5961 -0.1232 0.1174 -0.0541 23 TRP A CH2 147 N N . SER A 24 ? 0.5127 0.3675 0.5333 -0.0785 0.1050 -0.0087 24 SER A N 148 C CA . SER A 24 ? 0.4667 0.3619 0.5032 -0.0703 0.0855 -0.0110 24 SER A CA 149 C C . SER A 24 ? 0.4540 0.3584 0.4871 -0.0656 0.0888 -0.0037 24 SER A C 150 O O . SER A 24 ? 0.4855 0.3635 0.4966 -0.0637 0.1036 0.0057 24 SER A O 151 C CB . SER A 24 ? 0.4569 0.3534 0.4782 -0.0541 0.0685 -0.0053 24 SER A CB 152 O OG . SER A 24 ? 0.4764 0.3647 0.4742 -0.0395 0.0663 0.0076 24 SER A OG 153 N N . ARG A 25 ? 0.4130 0.3522 0.4650 -0.0625 0.0756 -0.0085 25 ARG A N 154 C CA . ARG A 25 ? 0.4037 0.3520 0.4511 -0.0557 0.0758 -0.0025 25 ARG A CA 155 C C . ARG A 25 ? 0.3712 0.3463 0.4263 -0.0458 0.0564 -0.0037 25 ARG A C 156 O O . ARG A 25 ? 0.3467 0.3418 0.4194 -0.0473 0.0453 -0.0122 25 ARG A O 157 C CB . ARG A 25 ? 0.4172 0.3751 0.4829 -0.0679 0.0912 -0.0089 25 ARG A CB 158 C CG . ARG A 25 ? 0.4064 0.4027 0.5093 -0.0756 0.0844 -0.0246 25 ARG A CG 159 C CD . ARG A 25 ? 0.4424 0.4503 0.5622 -0.0856 0.1013 -0.0301 25 ARG A CD 160 N NE . ARG A 25 ? 0.4321 0.4418 0.5383 -0.0744 0.1017 -0.0215 25 ARG A NE 161 C CZ . ARG A 25 ? 0.4918 0.4899 0.5892 -0.0776 0.1207 -0.0168 25 ARG A CZ 162 N NH1 . ARG A 25 ? 0.5121 0.4925 0.6117 -0.0929 0.1433 -0.0183 25 ARG A NH1 163 N NH2 . ARG A 25 ? 0.4602 0.4613 0.5441 -0.0656 0.1184 -0.0105 25 ARG A NH2 164 N N . THR A 26 ? 0.3619 0.3346 0.4011 -0.0353 0.0529 0.0044 26 THR A N 165 C CA . THR A 26 ? 0.3331 0.3244 0.3763 -0.0271 0.0376 0.0041 26 THR A CA 166 C C . THR A 26 ? 0.3379 0.3367 0.3814 -0.0242 0.0407 0.0047 26 THR A C 167 O O . THR A 26 ? 0.3505 0.3340 0.3757 -0.0205 0.0488 0.0110 26 THR A O 168 C CB . THR A 26 ? 0.3333 0.3150 0.3574 -0.0172 0.0284 0.0114 26 THR A CB 169 O OG1 . THR A 26 ? 0.3379 0.3155 0.3629 -0.0187 0.0251 0.0099 26 THR A OG1 170 C CG2 . THR A 26 ? 0.3059 0.3024 0.3327 -0.0111 0.0160 0.0113 26 THR A CG2 171 N N . ASP A 27 ? 0.3194 0.3406 0.3810 -0.0237 0.0337 -0.0021 27 ASP A N 172 C CA . ASP A 27 ? 0.3147 0.3444 0.3775 -0.0190 0.0346 -0.0030 27 ASP A CA 173 C C . ASP A 27 ? 0.3044 0.3429 0.3675 -0.0107 0.0199 -0.0037 27 ASP A C 174 O O . ASP A 27 ? 0.2940 0.3425 0.3668 -0.0101 0.0111 -0.0076 27 ASP A O 175 C CB . ASP A 27 ? 0.3206 0.3686 0.4063 -0.0257 0.0435 -0.0122 27 ASP A CB 176 C CG . ASP A 27 ? 0.3571 0.3932 0.4435 -0.0371 0.0616 -0.0120 27 ASP A CG 177 O OD1 . ASP A 27 ? 0.4037 0.4241 0.4737 -0.0362 0.0742 -0.0056 27 ASP A OD1 178 O OD2 . ASP A 27 ? 0.3982 0.4378 0.4990 -0.0467 0.0638 -0.0183 27 ASP A OD2 179 N N . SER A 28 ? 0.2999 0.3323 0.3501 -0.0041 0.0181 -0.0004 28 SER A N 180 C CA . SER A 28 ? 0.2999 0.3348 0.3481 0.0025 0.0070 -0.0010 28 SER A CA 181 C C . SER A 28 ? 0.2930 0.3311 0.3403 0.0085 0.0083 -0.0041 28 SER A C 182 O O . SER A 28 ? 0.3034 0.3384 0.3448 0.0090 0.0170 -0.0037 28 SER A O 183 C CB . SER A 28 ? 0.3011 0.3233 0.3341 0.0040 0.0010 0.0041 28 SER A CB 184 O OG . SER A 28 ? 0.3279 0.3471 0.3601 0.0002 0.0009 0.0069 28 SER A OG 185 N N . VAL A 29 ? 0.2841 0.3259 0.3345 0.0145 0.0003 -0.0068 29 VAL A N 186 C CA . VAL A 29 ? 0.2990 0.3398 0.3455 0.0225 -0.0002 -0.0099 29 VAL A CA 187 C C . VAL A 29 ? 0.3006 0.3257 0.3345 0.0264 -0.0088 -0.0074 29 VAL A C 188 O O . VAL A 29 ? 0.2988 0.3201 0.3319 0.0242 -0.0139 -0.0045 29 VAL A O 189 C CB . VAL A 29 ? 0.2998 0.3606 0.3632 0.0284 0.0002 -0.0174 29 VAL A CB 190 C CG1 . VAL A 29 ? 0.2841 0.3620 0.3637 0.0215 0.0123 -0.0218 29 VAL A CG1 191 C CG2 . VAL A 29 ? 0.3086 0.3767 0.3791 0.0312 -0.0089 -0.0191 29 VAL A CG2 192 N N . VAL A 30 ? 0.3001 0.3146 0.3236 0.0316 -0.0092 -0.0092 30 VAL A N 193 C CA . VAL A 30 ? 0.3031 0.2987 0.3146 0.0326 -0.0148 -0.0079 30 VAL A CA 194 C C . VAL A 30 ? 0.3236 0.3112 0.3294 0.0436 -0.0161 -0.0117 30 VAL A C 195 O O . VAL A 30 ? 0.3340 0.3269 0.3401 0.0491 -0.0125 -0.0161 30 VAL A O 196 C CB . VAL A 30 ? 0.3071 0.2929 0.3091 0.0265 -0.0150 -0.0080 30 VAL A CB 197 C CG1 . VAL A 30 ? 0.2961 0.2625 0.2890 0.0245 -0.0188 -0.0093 30 VAL A CG1 198 C CG2 . VAL A 30 ? 0.2756 0.2692 0.2813 0.0191 -0.0144 -0.0043 30 VAL A CG2 199 N N . TRP A 31 ? 0.3342 0.3075 0.3326 0.0482 -0.0203 -0.0096 31 TRP A N 200 C CA . TRP A 31 ? 0.3537 0.3139 0.3421 0.0617 -0.0219 -0.0123 31 TRP A CA 201 C C . TRP A 31 ? 0.3835 0.3099 0.3531 0.0598 -0.0222 -0.0100 31 TRP A C 202 O O . TRP A 31 ? 0.4014 0.3170 0.3674 0.0507 -0.0219 -0.0052 31 TRP A O 203 C CB . TRP A 31 ? 0.3514 0.3222 0.3439 0.0737 -0.0262 -0.0121 31 TRP A CB 204 C CG . TRP A 31 ? 0.3542 0.3602 0.3691 0.0741 -0.0258 -0.0170 31 TRP A CG 205 C CD1 . TRP A 31 ? 0.3345 0.3577 0.3630 0.0645 -0.0257 -0.0160 31 TRP A CD1 206 C CD2 . TRP A 31 ? 0.3502 0.3787 0.3782 0.0837 -0.0241 -0.0251 31 TRP A CD2 207 N NE1 . TRP A 31 ? 0.3297 0.3826 0.3793 0.0655 -0.0234 -0.0233 31 TRP A NE1 208 C CE2 . TRP A 31 ? 0.3302 0.3893 0.3814 0.0768 -0.0220 -0.0292 31 TRP A CE2 209 C CE3 . TRP A 31 ? 0.3694 0.3953 0.3923 0.0972 -0.0232 -0.0303 31 TRP A CE3 210 C CZ2 . TRP A 31 ? 0.3279 0.4179 0.4006 0.0810 -0.0179 -0.0389 31 TRP A CZ2 211 C CZ3 . TRP A 31 ? 0.3782 0.4366 0.4215 0.1039 -0.0201 -0.0395 31 TRP A CZ3 212 C CH2 . TRP A 31 ? 0.3335 0.4247 0.4028 0.0947 -0.0170 -0.0439 31 TRP A CH2 213 N N . LEU A 32 ? 0.3981 0.3069 0.3559 0.0680 -0.0214 -0.0144 32 LEU A N 214 C CA . LEU A 32 ? 0.4097 0.2810 0.3480 0.0678 -0.0201 -0.0135 32 LEU A CA 215 C C . LEU A 32 ? 0.4274 0.2850 0.3522 0.0882 -0.0217 -0.0133 32 LEU A C 216 O O . LEU A 32 ? 0.4298 0.2933 0.3547 0.0996 -0.0221 -0.0194 32 LEU A O 217 C CB . LEU A 32 ? 0.4120 0.2709 0.3453 0.0608 -0.0183 -0.0210 32 LEU A CB 218 C CG . LEU A 32 ? 0.4462 0.2636 0.3614 0.0559 -0.0152 -0.0220 32 LEU A CG 219 C CD1 . LEU A 32 ? 0.3889 0.1954 0.3039 0.0429 -0.0121 -0.0149 32 LEU A CD1 220 C CD2 . LEU A 32 ? 0.4074 0.2164 0.3206 0.0475 -0.0150 -0.0327 32 LEU A CD2 221 N N . GLY A 33 ? 0.4422 0.2819 0.3537 0.0948 -0.0224 -0.0063 33 GLY A N 222 C CA . GLY A 33 ? 0.4608 0.2939 0.3593 0.1189 -0.0262 -0.0060 33 GLY A CA 223 C C . GLY A 33 ? 0.4354 0.3166 0.3585 0.1272 -0.0316 -0.0116 33 GLY A C 224 O O . GLY A 33 ? 0.3926 0.3011 0.3340 0.1170 -0.0330 -0.0104 33 GLY A O 225 N N . ASP A 34 ? 0.4418 0.3332 0.3665 0.1447 -0.0337 -0.0187 34 ASP A N 226 C CA . ASP A 34 ? 0.4350 0.3744 0.3869 0.1508 -0.0366 -0.0265 34 ASP A CA 227 C C . ASP A 34 ? 0.4164 0.3763 0.3854 0.1416 -0.0301 -0.0332 34 ASP A C 228 O O . ASP A 34 ? 0.4165 0.4120 0.4061 0.1480 -0.0292 -0.0410 34 ASP A O 229 C CB . ASP A 34 ? 0.4442 0.3906 0.3904 0.1788 -0.0434 -0.0315 34 ASP A CB 230 C CG . ASP A 34 ? 0.4974 0.4189 0.4253 0.1938 -0.0412 -0.0348 34 ASP A CG 231 O OD1 . ASP A 34 ? 0.4884 0.3913 0.4112 0.1807 -0.0345 -0.0349 34 ASP A OD1 232 O OD2 . ASP A 34 ? 0.5355 0.4568 0.4537 0.2199 -0.0469 -0.0386 34 ASP A OD2 233 N N . LEU A 35 ? 0.4135 0.3523 0.3737 0.1269 -0.0251 -0.0310 35 LEU A N 234 C CA . LEU A 35 ? 0.3984 0.3530 0.3687 0.1190 -0.0190 -0.0360 35 LEU A CA 235 C C . LEU A 35 ? 0.3806 0.3470 0.3620 0.0987 -0.0162 -0.0318 35 LEU A C 236 O O . LEU A 35 ? 0.3769 0.3257 0.3509 0.0875 -0.0182 -0.0262 35 LEU A O 237 C CB . LEU A 35 ? 0.4222 0.3463 0.3722 0.1213 -0.0169 -0.0394 35 LEU A CB 238 C CG . LEU A 35 ? 0.4671 0.3736 0.4018 0.1431 -0.0184 -0.0444 35 LEU A CG 239 C CD1 . LEU A 35 ? 0.4607 0.3363 0.3759 0.1422 -0.0159 -0.0493 35 LEU A CD1 240 C CD2 . LEU A 35 ? 0.4482 0.3916 0.4002 0.1591 -0.0173 -0.0513 35 LEU A CD2 241 N N . GLN A 36 ? 0.3623 0.3576 0.3607 0.0945 -0.0105 -0.0346 36 GLN A N 242 C CA . GLN A 36 ? 0.3408 0.3448 0.3466 0.0783 -0.0070 -0.0303 36 GLN A CA 243 C C . GLN A 36 ? 0.3543 0.3421 0.3452 0.0726 -0.0045 -0.0304 36 GLN A C 244 O O . GLN A 36 ? 0.3692 0.3545 0.3524 0.0799 -0.0007 -0.0357 36 GLN A O 245 C CB . GLN A 36 ? 0.3263 0.3622 0.3536 0.0749 0.0004 -0.0329 36 GLN A CB 246 C CG . GLN A 36 ? 0.3021 0.3416 0.3342 0.0592 0.0043 -0.0272 36 GLN A CG 247 C CD . GLN A 36 ? 0.3116 0.3767 0.3634 0.0534 0.0150 -0.0300 36 GLN A CD 248 O OE1 . GLN A 36 ? 0.2893 0.3759 0.3570 0.0596 0.0187 -0.0373 36 GLN A OE1 249 N NE2 . GLN A 36 ? 0.2793 0.3413 0.3301 0.0415 0.0207 -0.0248 36 GLN A NE2 250 N N . THR A 37 ? 0.3423 0.3212 0.3290 0.0610 -0.0072 -0.0260 37 THR A N 251 C CA . THR A 37 ? 0.3642 0.3304 0.3373 0.0566 -0.0078 -0.0282 37 THR A CA 252 C C . THR A 37 ? 0.3569 0.3346 0.3311 0.0498 -0.0040 -0.0250 37 THR A C 253 O O . THR A 37 ? 0.3784 0.3521 0.3398 0.0514 -0.0029 -0.0279 37 THR A O 254 C CB . THR A 37 ? 0.3731 0.3183 0.3388 0.0496 -0.0143 -0.0284 37 THR A CB 255 O OG1 . THR A 37 ? 0.3696 0.3208 0.3447 0.0412 -0.0161 -0.0220 37 THR A OG1 256 C CG2 . THR A 37 ? 0.3854 0.3086 0.3422 0.0571 -0.0161 -0.0310 37 THR A CG2 257 N N . HIS A 38 ? 0.3414 0.3311 0.3278 0.0437 -0.0024 -0.0194 38 HIS A N 258 C CA . HIS A 38 ? 0.3421 0.3378 0.3268 0.0385 0.0022 -0.0153 38 HIS A CA 259 C C . HIS A 38 ? 0.3356 0.3464 0.3363 0.0348 0.0093 -0.0121 38 HIS A C 260 O O . HIS A 38 ? 0.3171 0.3370 0.3323 0.0350 0.0070 -0.0134 38 HIS A O 261 C CB . HIS A 38 ? 0.3333 0.3235 0.3144 0.0319 -0.0047 -0.0127 38 HIS A CB 262 C CG . HIS A 38 ? 0.3496 0.3285 0.3210 0.0319 -0.0121 -0.0184 38 HIS A CG 263 N ND1 . HIS A 38 ? 0.3688 0.3370 0.3425 0.0300 -0.0166 -0.0213 38 HIS A ND1 264 C CD2 . HIS A 38 ? 0.3294 0.3058 0.2888 0.0330 -0.0159 -0.0228 38 HIS A CD2 265 C CE1 . HIS A 38 ? 0.3616 0.3209 0.3277 0.0275 -0.0214 -0.0281 38 HIS A CE1 266 N NE2 . HIS A 38 ? 0.3643 0.3312 0.3229 0.0297 -0.0224 -0.0301 38 HIS A NE2 267 N N . ARG A 39 ? 0.3435 0.3553 0.3395 0.0319 0.0180 -0.0086 39 ARG A N 268 C CA . ARG A 39 ? 0.3535 0.3754 0.3636 0.0252 0.0264 -0.0064 39 ARG A CA 269 C C . ARG A 39 ? 0.3519 0.3619 0.3481 0.0216 0.0297 0.0001 39 ARG A C 270 O O . ARG A 39 ? 0.3710 0.3697 0.3461 0.0271 0.0316 0.0022 39 ARG A O 271 C CB . ARG A 39 ? 0.3648 0.3974 0.3819 0.0265 0.0398 -0.0100 39 ARG A CB 272 C CG . ARG A 39 ? 0.4283 0.4687 0.4590 0.0167 0.0528 -0.0090 39 ARG A CG 273 C CD . ARG A 39 ? 0.4769 0.5286 0.5152 0.0161 0.0698 -0.0130 39 ARG A CD 274 N NE . ARG A 39 ? 0.5327 0.5709 0.5459 0.0244 0.0760 -0.0103 39 ARG A NE 275 C CZ . ARG A 39 ? 0.5693 0.6140 0.5804 0.0340 0.0756 -0.0158 39 ARG A CZ 276 N NH1 . ARG A 39 ? 0.5424 0.6072 0.5753 0.0380 0.0694 -0.0240 39 ARG A NH1 277 N NH2 . ARG A 39 ? 0.5792 0.6094 0.5638 0.0418 0.0813 -0.0133 39 ARG A NH2 278 N N . TRP A 40 ? 0.3353 0.3472 0.3410 0.0146 0.0297 0.0027 40 TRP A N 279 C CA . TRP A 40 ? 0.3445 0.3429 0.3356 0.0133 0.0337 0.0090 40 TRP A CA 280 C C . TRP A 40 ? 0.3600 0.3593 0.3628 0.0042 0.0444 0.0101 40 TRP A C 281 O O . TRP A 40 ? 0.3520 0.3573 0.3688 -0.0012 0.0391 0.0086 40 TRP A O 282 C CB . TRP A 40 ? 0.3272 0.3224 0.3129 0.0150 0.0206 0.0106 40 TRP A CB 283 C CG . TRP A 40 ? 0.3422 0.3242 0.3091 0.0186 0.0229 0.0161 40 TRP A CG 284 C CD1 . TRP A 40 ? 0.3728 0.3403 0.3198 0.0230 0.0344 0.0209 40 TRP A CD1 285 C CD2 . TRP A 40 ? 0.3269 0.3082 0.2899 0.0207 0.0136 0.0175 40 TRP A CD2 286 N NE1 . TRP A 40 ? 0.3847 0.3404 0.3137 0.0294 0.0319 0.0256 40 TRP A NE1 287 C CE2 . TRP A 40 ? 0.3697 0.3363 0.3101 0.0282 0.0185 0.0227 40 TRP A CE2 288 C CE3 . TRP A 40 ? 0.3017 0.2929 0.2772 0.0177 0.0027 0.0148 40 TRP A CE3 289 C CZ2 . TRP A 40 ? 0.3434 0.3082 0.2753 0.0342 0.0112 0.0243 40 TRP A CZ2 290 C CZ3 . TRP A 40 ? 0.3142 0.3053 0.2839 0.0211 -0.0028 0.0161 40 TRP A CZ3 291 C CH2 . TRP A 40 ? 0.3381 0.3177 0.2871 0.0301 0.0005 0.0202 40 TRP A CH2 292 N N . SER A 41 ? 0.3823 0.3743 0.3785 0.0021 0.0607 0.0120 41 SER A N 293 C CA . SER A 41 ? 0.4061 0.3973 0.4149 -0.0091 0.0744 0.0113 41 SER A CA 294 C C . SER A 41 ? 0.4257 0.3933 0.4163 -0.0098 0.0769 0.0187 41 SER A C 295 O O . SER A 41 ? 0.4398 0.3907 0.4031 0.0005 0.0738 0.0255 41 SER A O 296 C CB . SER A 41 ? 0.4145 0.4034 0.4212 -0.0121 0.0942 0.0111 41 SER A CB 297 O OG . SER A 41 ? 0.4726 0.4545 0.4882 -0.0253 0.1104 0.0108 41 SER A OG 298 N N . ASN A 42 ? 0.4291 0.3962 0.4345 -0.0207 0.0819 0.0161 42 ASN A N 299 C CA . ASN A 42 ? 0.4561 0.3972 0.4431 -0.0210 0.0869 0.0228 42 ASN A CA 300 C C . ASN A 42 ? 0.4973 0.4076 0.4518 -0.0161 0.1041 0.0324 42 ASN A C 301 O O . ASN A 42 ? 0.5142 0.4009 0.4410 -0.0064 0.1027 0.0403 42 ASN A O 302 C CB . ASN A 42 ? 0.4491 0.3919 0.4574 -0.0353 0.0923 0.0164 42 ASN A CB 303 C CG . ASN A 42 ? 0.4682 0.3832 0.4564 -0.0332 0.0936 0.0226 42 ASN A CG 304 O OD1 . ASN A 42 ? 0.4024 0.3222 0.3899 -0.0271 0.0784 0.0226 42 ASN A OD1 305 N ND2 . ASN A 42 ? 0.5262 0.4102 0.4964 -0.0375 0.1131 0.0281 42 ASN A ND2 306 N N . ASP A 43 ? 0.5215 0.4328 0.4783 -0.0210 0.1204 0.0315 43 ASP A N 307 C CA . ASP A 43 ? 0.5754 0.4553 0.4989 -0.0167 0.1407 0.0412 43 ASP A CA 308 C C . ASP A 43 ? 0.5764 0.4468 0.4652 0.0037 0.1315 0.0481 43 ASP A C 309 O O . ASP A 43 ? 0.6081 0.4493 0.4607 0.0127 0.1450 0.0574 43 ASP A O 310 C CB . ASP A 43 ? 0.6004 0.4899 0.5396 -0.0281 0.1614 0.0368 43 ASP A CB 311 C CG . ASP A 43 ? 0.6446 0.5532 0.6253 -0.0492 0.1693 0.0254 43 ASP A CG 312 O OD1 . ASP A 43 ? 0.6757 0.5672 0.6576 -0.0583 0.1737 0.0257 43 ASP A OD1 313 O OD2 . ASP A 43 ? 0.6874 0.6292 0.6998 -0.0558 0.1705 0.0147 43 ASP A OD2 314 N N . SER A 44 ? 0.5264 0.4205 0.4255 0.0110 0.1091 0.0427 44 SER A N 315 C CA . SER A 44 ? 0.5236 0.4166 0.3980 0.0278 0.0991 0.0444 44 SER A CA 316 C C . SER A 44 ? 0.5095 0.4011 0.3714 0.0393 0.0800 0.0455 44 SER A C 317 O O . SER A 44 ? 0.4875 0.3947 0.3720 0.0338 0.0669 0.0410 44 SER A O 318 C CB . SER A 44 ? 0.4933 0.4128 0.3876 0.0270 0.0913 0.0357 44 SER A CB 319 O OG . SER A 44 ? 0.4932 0.4127 0.3665 0.0418 0.0784 0.0346 44 SER A OG 320 N N . ALA A 45 ? 0.5278 0.4021 0.3532 0.0563 0.0786 0.0507 45 ALA A N 321 C CA . ALA A 45 ? 0.5226 0.3995 0.3361 0.0694 0.0606 0.0499 45 ALA A CA 322 C C . ALA A 45 ? 0.4920 0.3986 0.3246 0.0701 0.0408 0.0391 45 ALA A C 323 O O . ALA A 45 ? 0.4747 0.3946 0.3153 0.0732 0.0252 0.0347 45 ALA A O 324 C CB . ALA A 45 ? 0.5562 0.4070 0.3227 0.0905 0.0642 0.0574 45 ALA A CB 325 N N . THR A 46 ? 0.4865 0.4021 0.3265 0.0665 0.0432 0.0345 46 THR A N 326 C CA . THR A 46 ? 0.4645 0.4008 0.3175 0.0673 0.0272 0.0242 46 THR A CA 327 C C . THR A 46 ? 0.4403 0.3915 0.3247 0.0537 0.0279 0.0191 46 THR A C 328 O O . THR A 46 ? 0.4311 0.3803 0.3247 0.0463 0.0418 0.0216 46 THR A O 329 C CB . THR A 46 ? 0.4832 0.4150 0.3090 0.0814 0.0250 0.0208 46 THR A CB 330 O OG1 . THR A 46 ? 0.5194 0.4392 0.3346 0.0809 0.0432 0.0254 46 THR A OG1 331 C CG2 . THR A 46 ? 0.5091 0.4306 0.3016 0.0998 0.0187 0.0232 46 THR A CG2 332 N N . ILE A 47 ? 0.4158 0.3815 0.3157 0.0511 0.0133 0.0111 47 ILE A N 333 C CA . ILE A 47 ? 0.4063 0.3822 0.3294 0.0426 0.0120 0.0061 47 ILE A CA 334 C C . ILE A 47 ? 0.4237 0.3973 0.3367 0.0485 0.0164 0.0021 47 ILE A C 335 O O . ILE A 47 ? 0.4554 0.4249 0.3487 0.0578 0.0110 -0.0018 47 ILE A O 336 C CB . ILE A 47 ? 0.3846 0.3699 0.3215 0.0384 -0.0026 -0.0002 47 ILE A CB 337 C CG1 . ILE A 47 ? 0.3675 0.3568 0.3137 0.0337 -0.0061 0.0034 47 ILE A CG1 338 C CG2 . ILE A 47 ? 0.3571 0.3461 0.3103 0.0330 -0.0035 -0.0042 47 ILE A CG2 339 C CD1 . ILE A 47 ? 0.3476 0.3462 0.3014 0.0314 -0.0187 -0.0027 47 ILE A CD1 340 N N . SER A 48 ? 0.4200 0.3983 0.3466 0.0443 0.0253 0.0015 48 SER A N 341 C CA . SER A 48 ? 0.4331 0.4104 0.3509 0.0509 0.0309 -0.0026 48 SER A CA 342 C C . SER A 48 ? 0.4202 0.4032 0.3504 0.0509 0.0215 -0.0107 48 SER A C 343 O O . SER A 48 ? 0.4034 0.3935 0.3544 0.0447 0.0179 -0.0112 48 SER A O 344 C CB . SER A 48 ? 0.4377 0.4185 0.3623 0.0478 0.0493 0.0007 48 SER A CB 345 O OG . SER A 48 ? 0.4644 0.4356 0.3806 0.0443 0.0598 0.0089 48 SER A OG 346 N N . PHE A 49 ? 0.4288 0.4059 0.3432 0.0592 0.0180 -0.0172 49 PHE A N 347 C CA . PHE A 49 ? 0.4315 0.4075 0.3524 0.0610 0.0117 -0.0253 49 PHE A CA 348 C C . PHE A 49 ? 0.4349 0.4187 0.3655 0.0644 0.0225 -0.0259 49 PHE A C 349 O O . PHE A 49 ? 0.4427 0.4292 0.3651 0.0684 0.0352 -0.0239 49 PHE A O 350 C CB . PHE A 49 ? 0.4443 0.4106 0.3443 0.0687 0.0047 -0.0342 49 PHE A CB 351 C CG . PHE A 49 ? 0.4695 0.4341 0.3635 0.0660 -0.0074 -0.0377 49 PHE A CG 352 C CD1 . PHE A 49 ? 0.4492 0.4187 0.3601 0.0558 -0.0133 -0.0345 49 PHE A CD1 353 C CD2 . PHE A 49 ? 0.4791 0.4400 0.3513 0.0745 -0.0135 -0.0457 49 PHE A CD2 354 C CE1 . PHE A 49 ? 0.4079 0.3809 0.3168 0.0535 -0.0239 -0.0394 49 PHE A CE1 355 C CE2 . PHE A 49 ? 0.4733 0.4388 0.3437 0.0727 -0.0260 -0.0517 49 PHE A CE2 356 C CZ . PHE A 49 ? 0.4438 0.4166 0.3342 0.0617 -0.0307 -0.0486 49 PHE A CZ 357 N N . THR A 50 ? 0.4251 0.4126 0.3721 0.0638 0.0183 -0.0288 50 THR A N 358 C CA . THR A 50 ? 0.4212 0.4211 0.3800 0.0697 0.0264 -0.0318 50 THR A CA 359 C C . THR A 50 ? 0.4383 0.4272 0.3874 0.0802 0.0212 -0.0399 50 THR A C 360 O O . THR A 50 ? 0.4480 0.4458 0.4041 0.0890 0.0258 -0.0444 50 THR A O 361 C CB . THR A 50 ? 0.4048 0.4211 0.3897 0.0647 0.0262 -0.0299 50 THR A CB 362 O OG1 . THR A 50 ? 0.4081 0.4145 0.3949 0.0627 0.0137 -0.0291 50 THR A OG1 363 C CG2 . THR A 50 ? 0.3788 0.4043 0.3729 0.0542 0.0336 -0.0238 50 THR A CG2 364 N N . LYS A 51 ? 0.4367 0.4068 0.3699 0.0796 0.0118 -0.0432 51 LYS A N 365 C CA . LYS A 51 ? 0.4375 0.3915 0.3575 0.0884 0.0075 -0.0523 51 LYS A CA 366 C C . LYS A 51 ? 0.4396 0.3831 0.3380 0.0896 0.0040 -0.0580 51 LYS A C 367 O O . LYS A 51 ? 0.4356 0.3813 0.3310 0.0827 0.0004 -0.0552 51 LYS A O 368 C CB . LYS A 51 ? 0.4443 0.3819 0.3684 0.0850 -0.0016 -0.0535 51 LYS A CB 369 C CG . LYS A 51 ? 0.4336 0.3788 0.3729 0.0901 -0.0003 -0.0499 51 LYS A CG 370 C CD . LYS A 51 ? 0.4465 0.3941 0.3826 0.1063 0.0041 -0.0563 51 LYS A CD 371 C CE . LYS A 51 ? 0.4444 0.4027 0.3950 0.1150 0.0030 -0.0549 51 LYS A CE 372 N NZ . LYS A 51 ? 0.4323 0.4194 0.4057 0.1075 0.0059 -0.0495 51 LYS A NZ 373 N N . PRO A 52 ? 0.4548 0.3872 0.3371 0.0999 0.0041 -0.0674 52 PRO A N 374 C CA . PRO A 52 ? 0.4692 0.3925 0.3304 0.1011 -0.0022 -0.0753 52 PRO A CA 375 C C . PRO A 52 ? 0.4668 0.3809 0.3324 0.0890 -0.0150 -0.0800 52 PRO A C 376 O O . PRO A 52 ? 0.4779 0.3961 0.3349 0.0869 -0.0214 -0.0839 52 PRO A O 377 C CB . PRO A 52 ? 0.4948 0.4053 0.3392 0.1140 -0.0009 -0.0865 52 PRO A CB 378 C CG . PRO A 52 ? 0.4937 0.4106 0.3503 0.1215 0.0081 -0.0829 52 PRO A CG 379 C CD . PRO A 52 ? 0.4589 0.3863 0.3401 0.1117 0.0078 -0.0728 52 PRO A CD 380 N N . TRP A 53 ? 0.4538 0.3570 0.3326 0.0820 -0.0180 -0.0794 53 TRP A N 381 C CA . TRP A 53 ? 0.4535 0.3460 0.3386 0.0684 -0.0267 -0.0843 53 TRP A CA 382 C C . TRP A 53 ? 0.4268 0.3314 0.3297 0.0563 -0.0279 -0.0744 53 TRP A C 383 O O . TRP A 53 ? 0.4136 0.3103 0.3243 0.0444 -0.0325 -0.0775 53 TRP A O 384 C CB . TRP A 53 ? 0.4605 0.3256 0.3437 0.0677 -0.0270 -0.0893 53 TRP A CB 385 C CG . TRP A 53 ? 0.4552 0.3176 0.3425 0.0771 -0.0204 -0.0804 53 TRP A CG 386 C CD1 . TRP A 53 ? 0.4403 0.3013 0.3193 0.0932 -0.0155 -0.0826 53 TRP A CD1 387 C CD2 . TRP A 53 ? 0.4233 0.2865 0.3237 0.0732 -0.0189 -0.0696 53 TRP A CD2 388 N NE1 . TRP A 53 ? 0.4263 0.2899 0.3145 0.0997 -0.0121 -0.0748 53 TRP A NE1 389 C CE2 . TRP A 53 ? 0.4244 0.2884 0.3242 0.0882 -0.0145 -0.0667 53 TRP A CE2 390 C CE3 . TRP A 53 ? 0.4156 0.2799 0.3273 0.0598 -0.0209 -0.0630 53 TRP A CE3 391 C CZ2 . TRP A 53 ? 0.4179 0.2840 0.3269 0.0912 -0.0139 -0.0581 53 TRP A CZ2 392 C CZ3 . TRP A 53 ? 0.4260 0.2891 0.3446 0.0622 -0.0188 -0.0533 53 TRP A CZ3 393 C CH2 . TRP A 53 ? 0.4122 0.2763 0.3288 0.0783 -0.0162 -0.0512 53 TRP A CH2 394 N N . SER A 54 ? 0.4093 0.3320 0.3184 0.0588 -0.0226 -0.0634 54 SER A N 395 C CA . SER A 54 ? 0.3954 0.3285 0.3202 0.0493 -0.0229 -0.0542 54 SER A CA 396 C C . SER A 54 ? 0.3990 0.3391 0.3265 0.0404 -0.0304 -0.0577 54 SER A C 397 O O . SER A 54 ? 0.3803 0.3277 0.3204 0.0325 -0.0310 -0.0513 54 SER A O 398 C CB . SER A 54 ? 0.3864 0.3357 0.3157 0.0534 -0.0149 -0.0441 54 SER A CB 399 O OG . SER A 54 ? 0.3862 0.3366 0.3203 0.0602 -0.0084 -0.0422 54 SER A OG 400 N N . GLN A 55 ? 0.4190 0.3595 0.3347 0.0432 -0.0366 -0.0688 55 GLN A N 401 C CA . GLN A 55 ? 0.4175 0.3692 0.3388 0.0361 -0.0456 -0.0756 55 GLN A CA 402 C C . GLN A 55 ? 0.4174 0.3585 0.3506 0.0222 -0.0496 -0.0859 55 GLN A C 403 O O . GLN A 55 ? 0.4083 0.3611 0.3529 0.0128 -0.0557 -0.0931 55 GLN A O 404 C CB . GLN A 55 ? 0.4353 0.3953 0.3383 0.0467 -0.0523 -0.0852 55 GLN A CB 405 C CG . GLN A 55 ? 0.4357 0.4153 0.3442 0.0444 -0.0622 -0.0908 55 GLN A CG 406 C CD . GLN A 55 ? 0.4625 0.4504 0.3481 0.0596 -0.0697 -0.0992 55 GLN A CD 407 O OE1 . GLN A 55 ? 0.4833 0.4678 0.3482 0.0730 -0.0634 -0.0895 55 GLN A OE1 408 N NE2 . GLN A 55 ? 0.4397 0.4384 0.3281 0.0576 -0.0828 -0.1182 55 GLN A NE2 409 N N . GLY A 56 ? 0.4280 0.3462 0.3581 0.0212 -0.0450 -0.0868 56 GLY A N 410 C CA . GLY A 56 ? 0.4569 0.3567 0.3941 0.0077 -0.0455 -0.0955 56 GLY A CA 411 C C . GLY A 56 ? 0.4889 0.3916 0.4251 0.0023 -0.0540 -0.1155 56 GLY A C 412 O O . GLY A 56 ? 0.4981 0.4018 0.4189 0.0135 -0.0584 -0.1241 56 GLY A O 413 N N . LYS A 57 ? 0.5009 0.4070 0.4541 -0.0147 -0.0560 -0.1242 57 LYS A N 414 C CA . LYS A 57 ? 0.5304 0.4450 0.4892 -0.0228 -0.0651 -0.1469 57 LYS A CA 415 C C . LYS A 57 ? 0.5161 0.4700 0.4888 -0.0234 -0.0745 -0.1519 57 LYS A C 416 O O . LYS A 57 ? 0.5273 0.4982 0.5114 -0.0311 -0.0836 -0.1721 57 LYS A O 417 C CB . LYS A 57 ? 0.5524 0.4427 0.5227 -0.0437 -0.0595 -0.1574 57 LYS A CB 418 C CG . LYS A 57 ? 0.6066 0.4533 0.5584 -0.0410 -0.0521 -0.1573 57 LYS A CG 419 C CD . LYS A 57 ? 0.6750 0.5162 0.6110 -0.0319 -0.0602 -0.1753 57 LYS A CD 420 C CE . LYS A 57 ? 0.7355 0.5304 0.6534 -0.0297 -0.0524 -0.1768 57 LYS A CE 421 N NZ . LYS A 57 ? 0.7813 0.5695 0.6821 -0.0198 -0.0599 -0.1948 57 LYS A NZ 422 N N . LEU A 58 ? 0.4914 0.4601 0.4630 -0.0142 -0.0726 -0.1349 58 LEU A N 423 C CA . LEU A 58 ? 0.4806 0.4830 0.4590 -0.0093 -0.0815 -0.1377 58 LEU A CA 424 C C . LEU A 58 ? 0.4964 0.5115 0.4546 0.0084 -0.0927 -0.1482 58 LEU A C 425 O O . LEU A 58 ? 0.5005 0.5023 0.4347 0.0232 -0.0894 -0.1402 58 LEU A O 426 C CB . LEU A 58 ? 0.4540 0.4618 0.4323 -0.0033 -0.0751 -0.1163 58 LEU A CB 427 C CG . LEU A 58 ? 0.4491 0.4504 0.4455 -0.0179 -0.0659 -0.1059 58 LEU A CG 428 C CD1 . LEU A 58 ? 0.4085 0.4193 0.4040 -0.0104 -0.0624 -0.0886 58 LEU A CD1 429 C CD2 . LEU A 58 ? 0.4627 0.4780 0.4838 -0.0360 -0.0680 -0.1199 58 LEU A CD2 430 N N . SER A 59 ? 0.5048 0.5466 0.4726 0.0075 -0.1057 -0.1671 59 SER A N 431 C CA . SER A 59 ? 0.5222 0.5810 0.4683 0.0284 -0.1181 -0.1755 59 SER A CA 432 C C . SER A 59 ? 0.5169 0.5777 0.4438 0.0464 -0.1140 -0.1543 59 SER A C 433 O O . SER A 59 ? 0.4877 0.5482 0.4265 0.0405 -0.1057 -0.1383 59 SER A O 434 C CB . SER A 59 ? 0.5249 0.6196 0.4894 0.0253 -0.1339 -0.1991 59 SER A CB 435 O OG . SER A 59 ? 0.4913 0.6098 0.4720 0.0251 -0.1348 -0.1919 59 SER A OG 436 N N . ASN A 60 ? 0.5488 0.6093 0.4443 0.0681 -0.1189 -0.1547 60 ASN A N 437 C CA . ASN A 60 ? 0.5577 0.6165 0.4301 0.0862 -0.1142 -0.1363 60 ASN A CA 438 C C . ASN A 60 ? 0.5506 0.6322 0.4381 0.0864 -0.1195 -0.1337 60 ASN A C 439 O O . ASN A 60 ? 0.5487 0.6225 0.4329 0.0888 -0.1098 -0.1145 60 ASN A O 440 C CB . ASN A 60 ? 0.5889 0.6462 0.4227 0.1107 -0.1210 -0.1414 60 ASN A CB 441 C CG . ASN A 60 ? 0.6121 0.6447 0.4252 0.1146 -0.1121 -0.1394 60 ASN A CG 442 O OD1 . ASN A 60 ? 0.5988 0.6138 0.4228 0.1024 -0.0989 -0.1293 60 ASN A OD1 443 N ND2 . ASN A 60 ? 0.6401 0.6723 0.4214 0.1336 -0.1198 -0.1497 60 ASN A ND2 444 N N . GLN A 61 ? 0.5619 0.6726 0.4677 0.0834 -0.1345 -0.1544 61 GLN A N 445 C CA . GLN A 61 ? 0.5665 0.7045 0.4875 0.0864 -0.1413 -0.1554 61 GLN A CA 446 C C . GLN A 61 ? 0.5348 0.6694 0.4846 0.0662 -0.1291 -0.1429 61 GLN A C 447 O O . GLN A 61 ? 0.5254 0.6639 0.4743 0.0725 -0.1258 -0.1297 61 GLN A O 448 C CB . GLN A 61 ? 0.5804 0.7563 0.5217 0.0850 -0.1599 -0.1844 61 GLN A CB 449 C CG . GLN A 61 ? 0.6290 0.8375 0.5674 0.1049 -0.1735 -0.1899 61 GLN A CG 450 C CD . GLN A 61 ? 0.6954 0.9482 0.6578 0.1038 -0.1936 -0.2230 61 GLN A CD 451 O OE1 . GLN A 61 ? 0.7415 1.0058 0.6819 0.1233 -0.2091 -0.2388 61 GLN A OE1 452 N NE2 . GLN A 61 ? 0.6754 0.9541 0.6836 0.0805 -0.1928 -0.2347 61 GLN A NE2 453 N N . GLN A 62 ? 0.5242 0.6490 0.4964 0.0434 -0.1224 -0.1471 62 GLN A N 454 C CA . GLN A 62 ? 0.5035 0.6227 0.4995 0.0251 -0.1106 -0.1359 62 GLN A CA 455 C C . GLN A 62 ? 0.4906 0.5828 0.4701 0.0297 -0.0973 -0.1113 62 GLN A C 456 O O . GLN A 62 ? 0.4726 0.5653 0.4622 0.0251 -0.0905 -0.0989 62 GLN A O 457 C CB . GLN A 62 ? 0.5184 0.6265 0.5351 0.0019 -0.1053 -0.1455 62 GLN A CB 458 C CG . GLN A 62 ? 0.5427 0.6748 0.5805 -0.0086 -0.1161 -0.1731 62 GLN A CG 459 C CD . GLN A 62 ? 0.6015 0.7087 0.6488 -0.0293 -0.1083 -0.1809 62 GLN A CD 460 O OE1 . GLN A 62 ? 0.6288 0.7100 0.6556 -0.0244 -0.1069 -0.1804 62 GLN A OE1 461 N NE2 . GLN A 62 ? 0.6244 0.7366 0.7008 -0.0520 -0.1015 -0.1873 62 GLN A NE2 462 N N . TRP A 63 ? 0.4915 0.5618 0.4472 0.0384 -0.0933 -0.1059 63 TRP A N 463 C CA . TRP A 63 ? 0.4751 0.5242 0.4175 0.0428 -0.0805 -0.0853 63 TRP A CA 464 C C . TRP A 63 ? 0.4725 0.5269 0.4014 0.0567 -0.0797 -0.0739 63 TRP A C 465 O O . TRP A 63 ? 0.4482 0.4969 0.3833 0.0527 -0.0712 -0.0602 63 TRP A O 466 C CB . TRP A 63 ? 0.4745 0.5031 0.3953 0.0502 -0.0750 -0.0830 63 TRP A CB 467 C CG . TRP A 63 ? 0.4395 0.4536 0.3518 0.0538 -0.0616 -0.0642 63 TRP A CG 468 C CD1 . TRP A 63 ? 0.4337 0.4399 0.3212 0.0681 -0.0553 -0.0549 63 TRP A CD1 469 C CD2 . TRP A 63 ? 0.3903 0.3971 0.3194 0.0425 -0.0524 -0.0534 63 TRP A CD2 470 N NE1 . TRP A 63 ? 0.3778 0.3741 0.2699 0.0638 -0.0421 -0.0405 63 TRP A NE1 471 C CE2 . TRP A 63 ? 0.3858 0.3840 0.3033 0.0493 -0.0417 -0.0400 63 TRP A CE2 472 C CE3 . TRP A 63 ? 0.3740 0.3796 0.3250 0.0278 -0.0516 -0.0541 63 TRP A CE3 473 C CZ2 . TRP A 63 ? 0.3499 0.3434 0.2806 0.0419 -0.0325 -0.0298 63 TRP A CZ2 474 C CZ3 . TRP A 63 ? 0.3538 0.3518 0.3127 0.0232 -0.0427 -0.0420 63 TRP A CZ3 475 C CH2 . TRP A 63 ? 0.3496 0.3440 0.3000 0.0303 -0.0345 -0.0312 63 TRP A CH2 476 N N . GLU A 64 ? 0.4954 0.5585 0.4033 0.0743 -0.0887 -0.0803 64 GLU A N 477 C CA . GLU A 64 ? 0.5143 0.5767 0.4024 0.0909 -0.0879 -0.0696 64 GLU A CA 478 C C . GLU A 64 ? 0.4869 0.5655 0.3961 0.0859 -0.0901 -0.0677 64 GLU A C 479 O O . GLU A 64 ? 0.4790 0.5464 0.3804 0.0900 -0.0820 -0.0530 64 GLU A O 480 C CB . GLU A 64 ? 0.5410 0.6103 0.3995 0.1140 -0.0994 -0.0785 64 GLU A CB 481 C CG . GLU A 64 ? 0.5939 0.6364 0.4158 0.1270 -0.0896 -0.0687 64 GLU A CG 482 N N . LYS A 65 ? 0.4836 0.5883 0.4198 0.0761 -0.1001 -0.0835 65 LYS A N 483 C CA . LYS A 65 ? 0.4717 0.5964 0.4320 0.0698 -0.1017 -0.0842 65 LYS A CA 484 C C . LYS A 65 ? 0.4420 0.5508 0.4167 0.0533 -0.0878 -0.0699 65 LYS A C 485 O O . LYS A 65 ? 0.4389 0.5503 0.4182 0.0546 -0.0843 -0.0614 65 LYS A O 486 C CB . LYS A 65 ? 0.4758 0.6332 0.4651 0.0596 -0.1131 -0.1068 65 LYS A CB 487 C CG . LYS A 65 ? 0.4853 0.6592 0.5086 0.0419 -0.1086 -0.1083 65 LYS A CG 488 N N . LEU A 66 ? 0.4277 0.5198 0.4077 0.0399 -0.0807 -0.0680 66 LEU A N 489 C CA . LEU A 66 ? 0.4055 0.4835 0.3968 0.0268 -0.0694 -0.0561 66 LEU A CA 490 C C . LEU A 66 ? 0.4025 0.4616 0.3756 0.0354 -0.0606 -0.0395 66 LEU A C 491 O O . LEU A 66 ? 0.3825 0.4394 0.3620 0.0322 -0.0551 -0.0304 66 LEU A O 492 C CB . LEU A 66 ? 0.4026 0.4671 0.4020 0.0131 -0.0653 -0.0598 66 LEU A CB 493 C CG . LEU A 66 ? 0.4050 0.4544 0.4133 0.0021 -0.0550 -0.0487 66 LEU A CG 494 C CD1 . LEU A 66 ? 0.3983 0.4615 0.4257 -0.0071 -0.0538 -0.0490 66 LEU A CD1 495 C CD2 . LEU A 66 ? 0.3955 0.4271 0.4047 -0.0063 -0.0515 -0.0523 66 LEU A CD2 496 N N . GLN A 67 ? 0.4124 0.4584 0.3631 0.0459 -0.0586 -0.0368 67 GLN A N 497 C CA . GLN A 67 ? 0.4220 0.4507 0.3565 0.0524 -0.0482 -0.0228 67 GLN A CA 498 C C . GLN A 67 ? 0.4347 0.4657 0.3610 0.0619 -0.0489 -0.0170 67 GLN A C 499 O O . GLN A 67 ? 0.4263 0.4469 0.3544 0.0585 -0.0402 -0.0067 67 GLN A O 500 C CB . GLN A 67 ? 0.4433 0.4588 0.3527 0.0631 -0.0446 -0.0218 67 GLN A CB 501 C CG . GLN A 67 ? 0.4630 0.4593 0.3559 0.0678 -0.0306 -0.0079 67 GLN A CG 502 C CD . GLN A 67 ? 0.5143 0.4973 0.3830 0.0770 -0.0239 -0.0065 67 GLN A CD 503 O OE1 . GLN A 67 ? 0.4989 0.4734 0.3711 0.0710 -0.0126 -0.0022 67 GLN A OE1 504 N NE2 . GLN A 67 ? 0.5221 0.5050 0.3653 0.0931 -0.0311 -0.0112 67 GLN A NE2 505 N N . HIS A 68 ? 0.4451 0.4897 0.3620 0.0750 -0.0598 -0.0248 68 HIS A N 506 C CA . HIS A 68 ? 0.4680 0.5143 0.3745 0.0877 -0.0617 -0.0203 68 HIS A CA 507 C C . HIS A 68 ? 0.4384 0.4942 0.3694 0.0767 -0.0599 -0.0180 68 HIS A C 508 O O . HIS A 68 ? 0.4525 0.4954 0.3750 0.0810 -0.0535 -0.0082 68 HIS A O 509 C CB . HIS A 68 ? 0.4876 0.5531 0.3826 0.1059 -0.0763 -0.0317 68 HIS A CB 510 C CG . HIS A 68 ? 0.5465 0.6101 0.4252 0.1236 -0.0782 -0.0262 68 HIS A CG 511 N ND1 . HIS A 68 ? 0.5677 0.6609 0.4619 0.1296 -0.0899 -0.0364 68 HIS A ND1 512 C CD2 . HIS A 68 ? 0.6043 0.6381 0.4525 0.1363 -0.0685 -0.0117 68 HIS A CD2 513 C CE1 . HIS A 68 ? 0.5909 0.6724 0.4628 0.1480 -0.0888 -0.0283 68 HIS A CE1 514 N NE2 . HIS A 68 ? 0.6112 0.6540 0.4537 0.1518 -0.0754 -0.0128 68 HIS A NE2 515 N N . MET A 69 ? 0.4123 0.4878 0.3715 0.0624 -0.0642 -0.0271 69 MET A N 516 C CA . MET A 69 ? 0.3932 0.4746 0.3729 0.0512 -0.0601 -0.0238 69 MET A CA 517 C C . MET A 69 ? 0.3757 0.4336 0.3521 0.0443 -0.0482 -0.0107 69 MET A C 518 O O . MET A 69 ? 0.3714 0.4251 0.3479 0.0455 -0.0443 -0.0044 69 MET A O 519 C CB . MET A 69 ? 0.3859 0.4855 0.3928 0.0353 -0.0628 -0.0343 69 MET A CB 520 C CG . MET A 69 ? 0.4284 0.5349 0.4534 0.0256 -0.0577 -0.0310 69 MET A CG 521 S SD . MET A 69 ? 0.5479 0.6332 0.5788 0.0094 -0.0470 -0.0222 69 MET A SD 522 C CE . MET A 69 ? 0.4778 0.5775 0.5288 -0.0048 -0.0494 -0.0360 69 MET A CE 523 N N . PHE A 70 ? 0.3561 0.4003 0.3298 0.0381 -0.0430 -0.0080 70 PHE A N 524 C CA . PHE A 70 ? 0.3429 0.3707 0.3163 0.0324 -0.0330 0.0012 70 PHE A CA 525 C C . PHE A 70 ? 0.3583 0.3696 0.3123 0.0416 -0.0261 0.0094 70 PHE A C 526 O O . PHE A 70 ? 0.3570 0.3603 0.3146 0.0373 -0.0198 0.0149 70 PHE A O 527 C CB . PHE A 70 ? 0.3353 0.3561 0.3121 0.0255 -0.0294 0.0007 70 PHE A CB 528 C CG . PHE A 70 ? 0.3399 0.3670 0.3340 0.0147 -0.0320 -0.0037 70 PHE A CG 529 C CD1 . PHE A 70 ? 0.3261 0.3532 0.3315 0.0078 -0.0291 0.0002 70 PHE A CD1 530 C CD2 . PHE A 70 ? 0.3363 0.3665 0.3328 0.0120 -0.0366 -0.0121 70 PHE A CD2 531 C CE1 . PHE A 70 ? 0.3483 0.3758 0.3639 -0.0006 -0.0295 -0.0021 70 PHE A CE1 532 C CE2 . PHE A 70 ? 0.3725 0.4017 0.3815 0.0015 -0.0365 -0.0153 70 PHE A CE2 533 C CZ . PHE A 70 ? 0.3733 0.4000 0.3906 -0.0043 -0.0322 -0.0093 70 PHE A CZ 534 N N . GLN A 71 ? 0.3751 0.3790 0.3066 0.0544 -0.0267 0.0099 71 GLN A N 535 C CA . GLN A 71 ? 0.4018 0.3836 0.3097 0.0639 -0.0177 0.0189 71 GLN A CA 536 C C . GLN A 71 ? 0.4065 0.3874 0.3142 0.0683 -0.0191 0.0214 71 GLN A C 537 O O . GLN A 71 ? 0.4174 0.3790 0.3187 0.0662 -0.0090 0.0285 71 GLN A O 538 C CB . GLN A 71 ? 0.4198 0.3920 0.2971 0.0810 -0.0190 0.0194 71 GLN A CB 539 C CG . GLN A 71 ? 0.4395 0.4083 0.3123 0.0783 -0.0152 0.0177 71 GLN A CG 540 C CD . GLN A 71 ? 0.4703 0.4332 0.3119 0.0967 -0.0190 0.0160 71 GLN A CD 541 O OE1 . GLN A 71 ? 0.5143 0.4907 0.3492 0.1093 -0.0322 0.0093 71 GLN A OE1 542 N NE2 . GLN A 71 ? 0.4807 0.4257 0.3034 0.0991 -0.0075 0.0211 71 GLN A NE2 543 N N . VAL A 72 ? 0.4079 0.4101 0.3231 0.0743 -0.0309 0.0144 72 VAL A N 544 C CA . VAL A 72 ? 0.4106 0.4156 0.3273 0.0801 -0.0327 0.0155 72 VAL A CA 545 C C . VAL A 72 ? 0.3927 0.4003 0.3318 0.0641 -0.0281 0.0169 72 VAL A C 546 O O . VAL A 72 ? 0.4020 0.3974 0.3367 0.0658 -0.0233 0.0213 72 VAL A O 547 C CB . VAL A 72 ? 0.4168 0.4514 0.3411 0.0901 -0.0465 0.0052 72 VAL A CB 548 C CG1 . VAL A 72 ? 0.4213 0.4613 0.3478 0.0976 -0.0480 0.0056 72 VAL A CG1 549 C CG2 . VAL A 72 ? 0.4485 0.4825 0.3478 0.1094 -0.0535 0.0021 72 VAL A CG2 550 N N . TYR A 73 ? 0.3592 0.3800 0.3193 0.0501 -0.0296 0.0128 73 TYR A N 551 C CA . TYR A 73 ? 0.3384 0.3604 0.3151 0.0376 -0.0259 0.0141 73 TYR A CA 552 C C . TYR A 73 ? 0.3496 0.3499 0.3197 0.0338 -0.0162 0.0204 73 TYR A C 553 O O . TYR A 73 ? 0.3434 0.3395 0.3177 0.0307 -0.0134 0.0217 73 TYR A O 554 C CB . TYR A 73 ? 0.3277 0.3602 0.3208 0.0260 -0.0279 0.0101 73 TYR A CB 555 C CG . TYR A 73 ? 0.3195 0.3467 0.3221 0.0162 -0.0232 0.0130 73 TYR A CG 556 C CD1 . TYR A 73 ? 0.2950 0.3280 0.3055 0.0134 -0.0233 0.0132 73 TYR A CD1 557 C CD2 . TYR A 73 ? 0.3291 0.3472 0.3319 0.0117 -0.0190 0.0146 73 TYR A CD2 558 C CE1 . TYR A 73 ? 0.2989 0.3277 0.3150 0.0072 -0.0206 0.0149 73 TYR A CE1 559 C CE2 . TYR A 73 ? 0.3072 0.3242 0.3189 0.0055 -0.0168 0.0155 73 TYR A CE2 560 C CZ . TYR A 73 ? 0.3084 0.3301 0.3253 0.0038 -0.0182 0.0156 73 TYR A CZ 561 O OH . TYR A 73 ? 0.2895 0.3106 0.3117 0.0004 -0.0177 0.0155 73 TYR A OH 562 N N . ARG A 74 ? 0.3461 0.3340 0.3068 0.0335 -0.0104 0.0229 74 ARG A N 563 C CA . ARG A 74 ? 0.3476 0.3205 0.3093 0.0260 -0.0001 0.0261 74 ARG A CA 564 C C . ARG A 74 ? 0.3571 0.3104 0.3051 0.0305 0.0063 0.0302 74 ARG A C 565 O O . ARG A 74 ? 0.3494 0.2982 0.3062 0.0228 0.0103 0.0291 74 ARG A O 566 C CB . ARG A 74 ? 0.3519 0.3178 0.3085 0.0239 0.0069 0.0272 74 ARG A CB 567 C CG . ARG A 74 ? 0.3401 0.2952 0.3025 0.0144 0.0192 0.0282 74 ARG A CG 568 C CD . ARG A 74 ? 0.3425 0.2953 0.3023 0.0127 0.0270 0.0284 74 ARG A CD 569 N NE . ARG A 74 ? 0.3752 0.3064 0.3070 0.0217 0.0358 0.0347 74 ARG A NE 570 C CZ . ARG A 74 ? 0.4027 0.3251 0.3255 0.0212 0.0473 0.0368 74 ARG A CZ 571 N NH1 . ARG A 74 ? 0.3665 0.3035 0.3093 0.0124 0.0505 0.0318 74 ARG A NH1 572 N NH2 . ARG A 74 ? 0.4556 0.3541 0.3475 0.0313 0.0562 0.0438 74 ARG A NH2 573 N N . VAL A 75 ? 0.3812 0.3224 0.3059 0.0445 0.0063 0.0338 75 VAL A N 574 C CA . VAL A 75 ? 0.4029 0.3208 0.3090 0.0527 0.0118 0.0382 75 VAL A CA 575 C C . VAL A 75 ? 0.3907 0.3201 0.3086 0.0532 0.0051 0.0345 75 VAL A C 576 O O . VAL A 75 ? 0.4141 0.3265 0.3284 0.0509 0.0112 0.0355 75 VAL A O 577 C CB . VAL A 75 ? 0.4336 0.3380 0.3086 0.0728 0.0105 0.0426 75 VAL A CB 578 C CG1 . VAL A 75 ? 0.4687 0.3464 0.3208 0.0850 0.0152 0.0474 75 VAL A CG1 579 C CG2 . VAL A 75 ? 0.4414 0.3281 0.2983 0.0737 0.0202 0.0476 75 VAL A CG2 580 N N . SER A 76 ? 0.3678 0.3253 0.2993 0.0557 -0.0063 0.0296 76 SER A N 581 C CA . SER A 76 ? 0.3579 0.3293 0.2996 0.0575 -0.0115 0.0261 76 SER A CA 582 C C . SER A 76 ? 0.3500 0.3236 0.3088 0.0432 -0.0087 0.0242 76 SER A C 583 O O . SER A 76 ? 0.3598 0.3253 0.3164 0.0444 -0.0067 0.0235 76 SER A O 584 C CB . SER A 76 ? 0.3434 0.3464 0.2988 0.0605 -0.0219 0.0202 76 SER A CB 585 O OG . SER A 76 ? 0.3422 0.3478 0.2826 0.0760 -0.0271 0.0192 76 SER A OG 586 N N . PHE A 77 ? 0.3273 0.3117 0.3010 0.0317 -0.0095 0.0225 77 PHE A N 587 C CA . PHE A 77 ? 0.3161 0.3037 0.3037 0.0206 -0.0082 0.0201 77 PHE A CA 588 C C . PHE A 77 ? 0.3296 0.2970 0.3118 0.0174 -0.0008 0.0198 77 PHE A C 589 O O . PHE A 77 ? 0.3312 0.2984 0.3180 0.0147 -0.0013 0.0163 77 PHE A O 590 C CB . PHE A 77 ? 0.3043 0.2987 0.3019 0.0126 -0.0084 0.0193 77 PHE A CB 591 C CG . PHE A 77 ? 0.3020 0.2987 0.3112 0.0042 -0.0074 0.0159 77 PHE A CG 592 C CD1 . PHE A 77 ? 0.2926 0.3013 0.3096 0.0026 -0.0126 0.0140 77 PHE A CD1 593 C CD2 . PHE A 77 ? 0.2936 0.2812 0.3053 -0.0013 -0.0007 0.0140 77 PHE A CD2 594 C CE1 . PHE A 77 ? 0.2861 0.2984 0.3110 -0.0014 -0.0137 0.0099 77 PHE A CE1 595 C CE2 . PHE A 77 ? 0.2993 0.2948 0.3246 -0.0078 -0.0018 0.0079 77 PHE A CE2 596 C CZ . PHE A 77 ? 0.2767 0.2850 0.3074 -0.0064 -0.0095 0.0057 77 PHE A CZ 597 N N . THR A 78 ? 0.3463 0.2956 0.3181 0.0170 0.0070 0.0228 78 THR A N 598 C CA . THR A 78 ? 0.3586 0.2862 0.3272 0.0102 0.0173 0.0216 78 THR A CA 599 C C . THR A 78 ? 0.3756 0.2862 0.3317 0.0166 0.0186 0.0215 78 THR A C 600 O O . THR A 78 ? 0.3760 0.2830 0.3400 0.0093 0.0202 0.0155 78 THR A O 601 C CB . THR A 78 ? 0.3764 0.2851 0.3326 0.0091 0.0286 0.0264 78 THR A CB 602 O OG1 . THR A 78 ? 0.3540 0.2809 0.3237 0.0035 0.0268 0.0249 78 THR A OG1 603 C CG2 . THR A 78 ? 0.3960 0.2801 0.3503 -0.0010 0.0428 0.0246 78 THR A CG2 604 N N . ARG A 79 ? 0.3873 0.2900 0.3243 0.0318 0.0166 0.0265 79 ARG A N 605 C CA . ARG A 79 ? 0.3947 0.2817 0.3182 0.0413 0.0171 0.0261 79 ARG A CA 606 C C . ARG A 79 ? 0.3755 0.2851 0.3146 0.0401 0.0087 0.0200 79 ARG A C 607 O O . ARG A 79 ? 0.3849 0.2828 0.3214 0.0395 0.0107 0.0161 79 ARG A O 608 C CB . ARG A 79 ? 0.4129 0.2903 0.3124 0.0615 0.0151 0.0318 79 ARG A CB 609 C CG . ARG A 79 ? 0.4636 0.3052 0.3380 0.0724 0.0220 0.0340 79 ARG A CG 610 C CD . ARG A 79 ? 0.4606 0.2992 0.3117 0.0975 0.0165 0.0380 79 ARG A CD 611 N NE . ARG A 79 ? 0.4270 0.3056 0.2954 0.1051 0.0032 0.0321 79 ARG A NE 612 C CZ . ARG A 79 ? 0.4502 0.3436 0.3094 0.1258 -0.0052 0.0316 79 ARG A CZ 613 N NH1 . ARG A 79 ? 0.4084 0.2790 0.2373 0.1442 -0.0038 0.0374 79 ARG A NH1 614 N NH2 . ARG A 79 ? 0.4185 0.3510 0.2988 0.1287 -0.0148 0.0246 79 ARG A NH2 615 N N . ASP A 80 ? 0.3555 0.2957 0.3095 0.0394 0.0003 0.0190 80 ASP A N 616 C CA . ASP A 80 ? 0.3484 0.3083 0.3142 0.0383 -0.0051 0.0147 80 ASP A CA 617 C C . ASP A 80 ? 0.3490 0.3057 0.3233 0.0275 -0.0038 0.0092 80 ASP A C 618 O O . ASP A 80 ? 0.3606 0.3163 0.3327 0.0303 -0.0050 0.0051 80 ASP A O 619 C CB . ASP A 80 ? 0.3226 0.3106 0.3017 0.0368 -0.0111 0.0150 80 ASP A CB 620 C CG . ASP A 80 ? 0.3369 0.3378 0.3123 0.0491 -0.0150 0.0154 80 ASP A CG 621 O OD1 . ASP A 80 ? 0.3267 0.3142 0.2861 0.0621 -0.0142 0.0167 80 ASP A OD1 622 O OD2 . ASP A 80 ? 0.3332 0.3574 0.3216 0.0462 -0.0188 0.0136 80 ASP A OD2 623 N N . ILE A 81 ? 0.3440 0.3016 0.3281 0.0165 -0.0022 0.0077 81 ILE A N 624 C CA . ILE A 81 ? 0.3446 0.3026 0.3383 0.0074 -0.0023 0.0000 81 ILE A CA 625 C C . ILE A 81 ? 0.3727 0.3063 0.3575 0.0064 0.0035 -0.0046 81 ILE A C 626 O O . ILE A 81 ? 0.3703 0.3047 0.3562 0.0062 0.0005 -0.0119 81 ILE A O 627 C CB . ILE A 81 ? 0.3397 0.3045 0.3470 -0.0029 -0.0008 -0.0021 81 ILE A CB 628 C CG1 . ILE A 81 ? 0.3204 0.3053 0.3342 -0.0012 -0.0068 0.0016 81 ILE A CG1 629 C CG2 . ILE A 81 ? 0.3619 0.3320 0.3819 -0.0113 -0.0023 -0.0131 81 ILE A CG2 630 C CD1 . ILE A 81 ? 0.2831 0.2831 0.2985 0.0026 -0.0141 0.0005 81 ILE A CD1 631 N N . GLN A 82 ? 0.3927 0.3017 0.3657 0.0066 0.0127 -0.0004 82 GLN A N 632 C CA . GLN A 82 ? 0.4259 0.3041 0.3877 0.0046 0.0211 -0.0041 82 GLN A CA 633 C C . GLN A 82 ? 0.4359 0.3079 0.3850 0.0167 0.0171 -0.0056 82 GLN A C 634 O O . GLN A 82 ? 0.4528 0.3090 0.3997 0.0127 0.0197 -0.0139 82 GLN A O 635 C CB . GLN A 82 ? 0.4514 0.2988 0.3950 0.0064 0.0333 0.0038 82 GLN A CB 636 C CG . GLN A 82 ? 0.4806 0.3320 0.4361 -0.0063 0.0401 0.0043 82 GLN A CG 637 C CD . GLN A 82 ? 0.5390 0.3596 0.4717 -0.0022 0.0531 0.0142 82 GLN A CD 638 O OE1 . GLN A 82 ? 0.5676 0.3729 0.4753 0.0146 0.0523 0.0226 82 GLN A OE1 639 N NE2 . GLN A 82 ? 0.5261 0.3390 0.4664 -0.0164 0.0652 0.0128 82 GLN A NE2 640 N N . GLU A 83 ? 0.4169 0.3034 0.3598 0.0309 0.0109 0.0006 83 GLU A N 641 C CA . GLU A 83 ? 0.4221 0.3082 0.3547 0.0443 0.0075 -0.0009 83 GLU A CA 642 C C . GLU A 83 ? 0.4054 0.3158 0.3512 0.0408 0.0006 -0.0078 83 GLU A C 643 O O . GLU A 83 ? 0.4253 0.3292 0.3637 0.0467 -0.0001 -0.0134 83 GLU A O 644 C CB . GLU A 83 ? 0.4162 0.3135 0.3404 0.0609 0.0039 0.0059 83 GLU A CB 645 C CG . GLU A 83 ? 0.4486 0.3181 0.3510 0.0710 0.0097 0.0129 83 GLU A CG 646 C CD . GLU A 83 ? 0.4638 0.2918 0.3432 0.0772 0.0178 0.0120 83 GLU A CD 647 O OE1 . GLU A 83 ? 0.5073 0.3015 0.3711 0.0744 0.0278 0.0164 83 GLU A OE1 648 O OE2 . GLU A 83 ? 0.4735 0.3000 0.3489 0.0848 0.0156 0.0069 83 GLU A OE2 649 N N . LEU A 84 ? 0.3697 0.3049 0.3314 0.0331 -0.0040 -0.0073 84 LEU A N 650 C CA . LEU A 84 ? 0.3634 0.3170 0.3325 0.0311 -0.0096 -0.0129 84 LEU A CA 651 C C . LEU A 84 ? 0.3808 0.3238 0.3516 0.0238 -0.0102 -0.0241 84 LEU A C 652 O O . LEU A 84 ? 0.3968 0.3452 0.3637 0.0279 -0.0143 -0.0305 84 LEU A O 653 C CB . LEU A 84 ? 0.3389 0.3158 0.3201 0.0263 -0.0136 -0.0092 84 LEU A CB 654 C CG . LEU A 84 ? 0.3340 0.3266 0.3162 0.0322 -0.0138 -0.0017 84 LEU A CG 655 C CD1 . LEU A 84 ? 0.2901 0.2965 0.2825 0.0253 -0.0157 0.0020 84 LEU A CD1 656 C CD2 . LEU A 84 ? 0.3105 0.3138 0.2879 0.0406 -0.0139 -0.0028 84 LEU A CD2 657 N N . VAL A 85 ? 0.3813 0.3095 0.3575 0.0131 -0.0054 -0.0276 85 VAL A N 658 C CA . VAL A 85 ? 0.3998 0.3185 0.3815 0.0036 -0.0049 -0.0412 85 VAL A CA 659 C C . VAL A 85 ? 0.4348 0.3272 0.4000 0.0095 -0.0012 -0.0459 85 VAL A C 660 O O . VAL A 85 ? 0.4457 0.3403 0.4094 0.0108 -0.0061 -0.0569 85 VAL A O 661 C CB . VAL A 85 ? 0.4088 0.3193 0.4034 -0.0113 0.0023 -0.0442 85 VAL A CB 662 C CG1 . VAL A 85 ? 0.4271 0.3265 0.4304 -0.0238 0.0050 -0.0609 85 VAL A CG1 663 C CG2 . VAL A 85 ? 0.3796 0.3180 0.3909 -0.0155 -0.0026 -0.0421 85 VAL A CG2 664 N N . LYS A 86 ? 0.4536 0.3200 0.4035 0.0154 0.0070 -0.0378 86 LYS A N 665 C CA . LYS A 86 ? 0.4843 0.3247 0.4143 0.0259 0.0102 -0.0402 86 LYS A CA 666 C C . LYS A 86 ? 0.4772 0.3372 0.4028 0.0390 0.0019 -0.0427 86 LYS A C 667 O O . LYS A 86 ? 0.4961 0.3429 0.4125 0.0426 0.0014 -0.0521 86 LYS A O 668 C CB . LYS A 86 ? 0.5052 0.3201 0.4151 0.0376 0.0177 -0.0284 86 LYS A CB 669 C CG . LYS A 86 ? 0.5206 0.3063 0.4263 0.0271 0.0295 -0.0248 86 LYS A CG 670 C CD . LYS A 86 ? 0.5222 0.2837 0.4022 0.0439 0.0351 -0.0123 86 LYS A CD 671 C CE . LYS A 86 ? 0.5417 0.2819 0.4167 0.0351 0.0465 -0.0051 86 LYS A CE 672 N NZ . LYS A 86 ? 0.5246 0.2437 0.3706 0.0557 0.0496 0.0073 86 LYS A NZ 673 N N . MET A 87 ? 0.4577 0.3473 0.3889 0.0457 -0.0030 -0.0347 87 MET A N 674 C CA . MET A 87 ? 0.4660 0.3750 0.3931 0.0572 -0.0076 -0.0356 87 MET A CA 675 C C . MET A 87 ? 0.4784 0.3978 0.4087 0.0527 -0.0134 -0.0462 87 MET A C 676 O O . MET A 87 ? 0.4860 0.4066 0.4056 0.0623 -0.0149 -0.0514 87 MET A O 677 C CB . MET A 87 ? 0.4431 0.3807 0.3784 0.0610 -0.0094 -0.0255 87 MET A CB 678 C CG . MET A 87 ? 0.4272 0.3863 0.3605 0.0708 -0.0106 -0.0252 87 MET A CG 679 S SD . MET A 87 ? 0.4778 0.4678 0.4240 0.0719 -0.0099 -0.0153 87 MET A SD 680 C CE . MET A 87 ? 0.4252 0.4072 0.3680 0.0813 -0.0085 -0.0110 87 MET A CE 681 N N . MET A 88 ? 0.4850 0.4135 0.4290 0.0401 -0.0170 -0.0501 88 MET A N 682 C CA . MET A 88 ? 0.5121 0.4548 0.4583 0.0387 -0.0248 -0.0605 88 MET A CA 683 C C . MET A 88 ? 0.5531 0.4798 0.5004 0.0314 -0.0266 -0.0776 88 MET A C 684 O O . MET A 88 ? 0.5649 0.5015 0.5100 0.0335 -0.0345 -0.0894 88 MET A O 685 C CB . MET A 88 ? 0.4799 0.4446 0.4398 0.0323 -0.0297 -0.0574 88 MET A CB 686 C CG . MET A 88 ? 0.4867 0.4666 0.4456 0.0376 -0.0281 -0.0429 88 MET A CG 687 S SD . MET A 88 ? 0.5459 0.5336 0.4880 0.0519 -0.0266 -0.0397 88 MET A SD 688 C CE . MET A 88 ? 0.5654 0.5486 0.5074 0.0570 -0.0190 -0.0309 88 MET A CE 689 N N . SER A 89 ? 0.5875 0.4880 0.5366 0.0230 -0.0189 -0.0796 89 SER A N 690 C CA . SER A 89 ? 0.6278 0.5132 0.5835 0.0106 -0.0184 -0.0974 89 SER A CA 691 C C . SER A 89 ? 0.6597 0.5357 0.6008 0.0187 -0.0228 -0.1106 89 SER A C 692 O O . SER A 89 ? 0.6695 0.5400 0.5921 0.0343 -0.0216 -0.1036 89 SER A O 693 C CB . SER A 89 ? 0.6507 0.5033 0.6075 -0.0007 -0.0054 -0.0954 89 SER A CB 694 O OG . SER A 89 ? 0.6947 0.5141 0.6285 0.0095 0.0017 -0.0914 89 SER A OG 695 N N . PRO A 90 ? 0.6819 0.5594 0.6325 0.0088 -0.0283 -0.1312 90 PRO A N 696 C CA . PRO A 90 ? 0.6794 0.5692 0.6563 -0.0097 -0.0299 -0.1431 90 PRO A CA 697 C C . PRO A 90 ? 0.6591 0.5904 0.6482 -0.0063 -0.0436 -0.1465 90 PRO A C 698 O O . PRO A 90 ? 0.6621 0.6111 0.6735 -0.0182 -0.0490 -0.1624 90 PRO A O 699 C CB . PRO A 90 ? 0.7122 0.5830 0.6916 -0.0200 -0.0296 -0.1667 90 PRO A CB 700 C CG . PRO A 90 ? 0.7290 0.5954 0.6842 -0.0023 -0.0365 -0.1707 90 PRO A CG 701 C CD . PRO A 90 ? 0.7134 0.5813 0.6496 0.0160 -0.0334 -0.1469 90 PRO A CD 702 N N . LYS A 91 ? 0.6438 0.5899 0.6184 0.0099 -0.0482 -0.1323 91 LYS A N 703 C CA . LYS A 91 ? 0.6336 0.6120 0.6109 0.0173 -0.0600 -0.1325 91 LYS A CA 704 C C . LYS A 91 ? 0.6086 0.6033 0.6099 0.0062 -0.0601 -0.1309 91 LYS A C 705 O O . LYS A 91 ? 0.6001 0.6189 0.6147 0.0049 -0.0706 -0.1441 91 LYS A O 706 C CB . LYS A 91 ? 0.6333 0.6164 0.5903 0.0335 -0.0586 -0.1133 91 LYS A CB 707 C CG . LYS A 91 ? 0.6480 0.6560 0.6016 0.0424 -0.0670 -0.1081 91 LYS A CG 708 C CD . LYS A 91 ? 0.6830 0.6984 0.6155 0.0572 -0.0765 -0.1176 91 LYS A CD 709 C CE . LYS A 91 ? 0.7026 0.7404 0.6352 0.0641 -0.0888 -0.1229 91 LYS A CE 710 N NZ . LYS A 91 ? 0.7754 0.8184 0.6849 0.0797 -0.0992 -0.1354 91 LYS A NZ 711 N N . GLU A 92 ? 0.5864 0.5692 0.5920 0.0001 -0.0489 -0.1153 92 GLU A N 712 C CA . GLU A 92 ? 0.5666 0.5627 0.5927 -0.0094 -0.0471 -0.1123 92 GLU A CA 713 C C . GLU A 92 ? 0.5688 0.5436 0.6072 -0.0262 -0.0342 -0.1153 92 GLU A C 714 O O . GLU A 92 ? 0.5937 0.5391 0.6176 -0.0256 -0.0242 -0.1070 92 GLU A O 715 C CB . GLU A 92 ? 0.5495 0.5510 0.5681 -0.0014 -0.0448 -0.0913 92 GLU A CB 716 C CG . GLU A 92 ? 0.5785 0.5983 0.5848 0.0131 -0.0546 -0.0869 92 GLU A CG 717 C CD . GLU A 92 ? 0.6292 0.6719 0.6434 0.0160 -0.0676 -0.1028 92 GLU A CD 718 O OE1 . GLU A 92 ? 0.6475 0.7050 0.6836 0.0077 -0.0700 -0.1106 92 GLU A OE1 719 O OE2 . GLU A 92 ? 0.6657 0.7130 0.6632 0.0282 -0.0758 -0.1084 92 GLU A OE2 720 N N . ASP A 93 ? 0.5455 0.5346 0.6093 -0.0401 -0.0339 -0.1277 93 ASP A N 721 C CA . ASP A 93 ? 0.5361 0.5048 0.6119 -0.0578 -0.0185 -0.1293 93 ASP A CA 722 C C . ASP A 93 ? 0.5030 0.4898 0.5985 -0.0653 -0.0142 -0.1244 93 ASP A C 723 O O . ASP A 93 ? 0.4722 0.4909 0.5773 -0.0584 -0.0252 -0.1250 93 ASP A O 724 C CB . ASP A 93 ? 0.5744 0.5372 0.6654 -0.0733 -0.0166 -0.1537 93 ASP A CB 725 N N . TYR A 94 ? 0.4889 0.4515 0.5867 -0.0780 0.0029 -0.1189 94 TYR A N 726 C CA . TYR A 94 ? 0.4584 0.4335 0.5763 -0.0889 0.0112 -0.1178 94 TYR A CA 727 C C . TYR A 94 ? 0.4438 0.4506 0.5967 -0.1029 0.0068 -0.1429 94 TYR A C 728 O O . TYR A 94 ? 0.4622 0.4680 0.6217 -0.1092 0.0030 -0.1610 94 TYR A O 729 C CB . TYR A 94 ? 0.4766 0.4112 0.5831 -0.0990 0.0327 -0.1077 94 TYR A CB 730 C CG . TYR A 94 ? 0.4790 0.3883 0.5524 -0.0825 0.0348 -0.0848 94 TYR A CG 731 C CD1 . TYR A 94 ? 0.4848 0.3552 0.5323 -0.0774 0.0415 -0.0792 94 TYR A CD1 732 C CD2 . TYR A 94 ? 0.4364 0.3624 0.5054 -0.0712 0.0293 -0.0705 94 TYR A CD2 733 C CE1 . TYR A 94 ? 0.5006 0.3541 0.5203 -0.0602 0.0418 -0.0604 94 TYR A CE1 734 C CE2 . TYR A 94 ? 0.4646 0.3733 0.5073 -0.0566 0.0300 -0.0526 94 TYR A CE2 735 C CZ . TYR A 94 ? 0.4886 0.3637 0.5079 -0.0507 0.0357 -0.0480 94 TYR A CZ 736 O OH . TYR A 94 ? 0.4822 0.3468 0.4786 -0.0347 0.0346 -0.0326 94 TYR A OH 737 N N . PRO A 95 ? 0.4080 0.4454 0.5845 -0.1068 0.0065 -0.1460 95 PRO A N 738 C CA . PRO A 95 ? 0.3810 0.4225 0.5514 -0.0992 0.0098 -0.1274 95 PRO A CA 739 C C . PRO A 95 ? 0.3576 0.4139 0.5114 -0.0773 -0.0072 -0.1163 95 PRO A C 740 O O . PRO A 95 ? 0.3537 0.4306 0.5093 -0.0684 -0.0230 -0.1267 95 PRO A O 741 C CB . PRO A 95 ? 0.3632 0.4380 0.5690 -0.1109 0.0132 -0.1414 95 PRO A CB 742 C CG . PRO A 95 ? 0.3765 0.4788 0.6084 -0.1183 0.0033 -0.1685 95 PRO A CG 743 C CD . PRO A 95 ? 0.4079 0.4799 0.6227 -0.1210 0.0036 -0.1723 95 PRO A CD 744 N N . ILE A 96 ? 0.3347 0.3788 0.4711 -0.0691 -0.0032 -0.0960 96 ILE A N 745 C CA . ILE A 96 ? 0.3198 0.3727 0.4400 -0.0513 -0.0155 -0.0844 96 ILE A CA 746 C C . ILE A 96 ? 0.3042 0.3668 0.4283 -0.0485 -0.0131 -0.0749 96 ILE A C 747 O O . ILE A 96 ? 0.3023 0.3498 0.4250 -0.0554 0.0001 -0.0670 96 ILE A O 748 C CB . ILE A 96 ? 0.3219 0.3482 0.4136 -0.0424 -0.0145 -0.0700 96 ILE A CB 749 C CG1 . ILE A 96 ? 0.3405 0.3622 0.4259 -0.0402 -0.0206 -0.0803 96 ILE A CG1 750 C CG2 . ILE A 96 ? 0.2982 0.3299 0.3751 -0.0284 -0.0212 -0.0554 96 ILE A CG2 751 C CD1 . ILE A 96 ? 0.2928 0.2897 0.3536 -0.0324 -0.0175 -0.0690 96 ILE A CD1 752 N N A GLU A 97 ? 0.2884 0.3737 0.4149 -0.0372 -0.0254 -0.0760 97 GLU A N 753 N N B GLU A 97 ? 0.2929 0.3778 0.4188 -0.0370 -0.0255 -0.0758 97 GLU A N 754 C CA A GLU A 97 ? 0.2777 0.3686 0.4027 -0.0313 -0.0248 -0.0662 97 GLU A CA 755 C CA B GLU A 97 ? 0.2869 0.3788 0.4125 -0.0312 -0.0252 -0.0668 97 GLU A CA 756 C C A GLU A 97 ? 0.2814 0.3628 0.3826 -0.0178 -0.0316 -0.0524 97 GLU A C 757 C C B GLU A 97 ? 0.2863 0.3686 0.3879 -0.0176 -0.0318 -0.0526 97 GLU A C 758 O O A GLU A 97 ? 0.2898 0.3761 0.3820 -0.0086 -0.0415 -0.0547 97 GLU A O 759 O O B GLU A 97 ? 0.2946 0.3826 0.3874 -0.0079 -0.0421 -0.0548 97 GLU A O 760 C CB A GLU A 97 ? 0.2713 0.3939 0.4177 -0.0282 -0.0318 -0.0788 97 GLU A CB 761 C CB B GLU A 97 ? 0.2843 0.4088 0.4317 -0.0280 -0.0330 -0.0805 97 GLU A CB 762 C CG A GLU A 97 ? 0.2214 0.3480 0.3646 -0.0204 -0.0315 -0.0697 97 GLU A CG 763 C CG B GLU A 97 ? 0.2767 0.4199 0.4547 -0.0427 -0.0280 -0.1000 97 GLU A CG 764 C CD A GLU A 97 ? 0.1837 0.3000 0.3318 -0.0308 -0.0162 -0.0638 97 GLU A CD 765 C CD B GLU A 97 ? 0.2757 0.4091 0.4642 -0.0576 -0.0094 -0.0969 97 GLU A CD 766 O OE1 A GLU A 97 ? 0.2028 0.3153 0.3631 -0.0450 -0.0049 -0.0700 97 GLU A OE1 767 O OE1 B GLU A 97 ? 0.2836 0.4043 0.4585 -0.0531 -0.0038 -0.0818 97 GLU A OE1 768 O OE2 A GLU A 97 ? 0.1537 0.2636 0.2915 -0.0248 -0.0145 -0.0533 97 GLU A OE2 769 O OE2 B GLU A 97 ? 0.2635 0.4008 0.4729 -0.0740 0.0004 -0.1099 97 GLU A OE2 770 N N . ILE A 98 ? 0.2858 0.3534 0.3764 -0.0171 -0.0253 -0.0390 98 ILE A N 771 C CA . ILE A 98 ? 0.2873 0.3473 0.3596 -0.0075 -0.0295 -0.0273 98 ILE A CA 772 C C . ILE A 98 ? 0.2933 0.3565 0.3667 -0.0044 -0.0288 -0.0224 98 ILE A C 773 O O . ILE A 98 ? 0.3125 0.3739 0.3926 -0.0102 -0.0212 -0.0217 98 ILE A O 774 C CB . ILE A 98 ? 0.2915 0.3329 0.3498 -0.0087 -0.0241 -0.0180 98 ILE A CB 775 C CG1 . ILE A 98 ? 0.3142 0.3520 0.3686 -0.0086 -0.0262 -0.0234 98 ILE A CG1 776 C CG2 . ILE A 98 ? 0.2552 0.2924 0.3000 -0.0020 -0.0263 -0.0076 98 ILE A CG2 777 C CD1 . ILE A 98 ? 0.3311 0.3534 0.3729 -0.0075 -0.0216 -0.0164 98 ILE A CD1 778 N N . GLN A 99 ? 0.2873 0.3524 0.3515 0.0053 -0.0356 -0.0190 99 GLN A N 779 C CA . GLN A 99 ? 0.2821 0.3453 0.3436 0.0093 -0.0350 -0.0142 99 GLN A CA 780 C C . GLN A 99 ? 0.2964 0.3439 0.3399 0.0129 -0.0349 -0.0037 99 GLN A C 781 O O . GLN A 99 ? 0.2933 0.3363 0.3258 0.0168 -0.0376 -0.0013 99 GLN A O 782 C CB . GLN A 99 ? 0.2819 0.3605 0.3500 0.0186 -0.0421 -0.0218 99 GLN A CB 783 C CG . GLN A 99 ? 0.2564 0.3574 0.3486 0.0136 -0.0418 -0.0355 99 GLN A CG 784 C CD . GLN A 99 ? 0.2993 0.4214 0.3978 0.0253 -0.0532 -0.0466 99 GLN A CD 785 O OE1 . GLN A 99 ? 0.3299 0.4610 0.4308 0.0265 -0.0596 -0.0548 99 GLN A OE1 786 N NE2 . GLN A 99 ? 0.2590 0.3893 0.3586 0.0360 -0.0568 -0.0480 99 GLN A NE2 787 N N . LEU A 100 ? 0.2985 0.3380 0.3393 0.0108 -0.0308 0.0013 100 LEU A N 788 C CA . LEU A 100 ? 0.3110 0.3370 0.3384 0.0120 -0.0299 0.0087 100 LEU A CA 789 C C . LEU A 100 ? 0.3151 0.3356 0.3390 0.0171 -0.0307 0.0091 100 LEU A C 790 O O . LEU A 100 ? 0.3079 0.3339 0.3398 0.0166 -0.0295 0.0057 100 LEU A O 791 C CB . LEU A 100 ? 0.3018 0.3234 0.3291 0.0049 -0.0253 0.0122 100 LEU A CB 792 C CG . LEU A 100 ? 0.3255 0.3475 0.3501 0.0024 -0.0240 0.0143 100 LEU A CG 793 C CD1 . LEU A 100 ? 0.3591 0.3863 0.3891 0.0016 -0.0240 0.0105 100 LEU A CD1 794 C CD2 . LEU A 100 ? 0.3409 0.3617 0.3653 -0.0014 -0.0214 0.0164 100 LEU A CD2 795 N N . SER A 101 ? 0.3233 0.3307 0.3328 0.0227 -0.0316 0.0134 101 SER A N 796 C CA . SER A 101 ? 0.3302 0.3239 0.3312 0.0273 -0.0308 0.0152 101 SER A CA 797 C C . SER A 101 ? 0.3366 0.3120 0.3276 0.0200 -0.0249 0.0210 101 SER A C 798 O O . SER A 101 ? 0.3451 0.3105 0.3248 0.0203 -0.0223 0.0258 101 SER A O 799 C CB . SER A 101 ? 0.3474 0.3370 0.3368 0.0421 -0.0360 0.0147 101 SER A CB 800 O OG . SER A 101 ? 0.3763 0.3450 0.3518 0.0480 -0.0341 0.0179 101 SER A OG 801 N N . ALA A 102 ? 0.3346 0.3067 0.3301 0.0132 -0.0223 0.0195 102 ALA A N 802 C CA . ALA A 102 ? 0.3450 0.3057 0.3375 0.0035 -0.0169 0.0212 102 ALA A CA 803 C C . ALA A 102 ? 0.3692 0.3151 0.3573 0.0026 -0.0155 0.0186 102 ALA A C 804 O O . ALA A 102 ? 0.3821 0.3336 0.3739 0.0071 -0.0187 0.0146 102 ALA A O 805 C CB . ALA A 102 ? 0.3069 0.2849 0.3125 -0.0047 -0.0169 0.0185 102 ALA A CB 806 N N . GLY A 103 ? 0.3860 0.3123 0.3664 -0.0042 -0.0095 0.0199 103 GLY A N 807 C CA . GLY A 103 ? 0.4072 0.3159 0.3827 -0.0066 -0.0077 0.0158 103 GLY A CA 808 C C . GLY A 103 ? 0.4514 0.3302 0.4134 -0.0130 0.0014 0.0191 103 GLY A C 809 O O . GLY A 103 ? 0.4568 0.3355 0.4200 -0.0214 0.0077 0.0224 103 GLY A O 810 N N . CYS A 104 ? 0.4746 0.3261 0.4225 -0.0090 0.0037 0.0183 104 CYS A N 811 C CA . CYS A 104 ? 0.5334 0.3485 0.4656 -0.0162 0.0148 0.0212 104 CYS A CA 812 C C . CYS A 104 ? 0.5794 0.3614 0.4881 -0.0019 0.0151 0.0236 104 CYS A C 813 O O . CYS A 104 ? 0.5681 0.3586 0.4800 0.0074 0.0074 0.0182 104 CYS A O 814 C CB . CYS A 104 ? 0.5322 0.3484 0.4795 -0.0368 0.0200 0.0114 104 CYS A CB 815 S SG . CYS A 104 ? 0.5471 0.3848 0.5112 -0.0390 0.0096 -0.0031 104 CYS A SG 816 N N . GLU A 105 ? 0.6343 0.3777 0.5172 0.0016 0.0249 0.0321 105 GLU A N 817 C CA . GLU A 105 ? 0.6907 0.3940 0.5465 0.0154 0.0272 0.0346 105 GLU A CA 818 C C . GLU A 105 ? 0.7297 0.3959 0.5789 -0.0020 0.0400 0.0305 105 GLU A C 819 O O . GLU A 105 ? 0.7421 0.3965 0.5925 -0.0197 0.0524 0.0327 105 GLU A O 820 C CB . GLU A 105 ? 0.7290 0.4078 0.5536 0.0350 0.0294 0.0470 105 GLU A CB 821 C CG . GLU A 105 ? 0.8188 0.4558 0.6118 0.0551 0.0301 0.0498 105 GLU A CG 822 C CD . GLU A 105 ? 0.8963 0.5189 0.6587 0.0821 0.0268 0.0602 105 GLU A CD 823 O OE1 . GLU A 105 ? 0.8858 0.5288 0.6504 0.0840 0.0246 0.0651 105 GLU A OE1 824 O OE2 . GLU A 105 ? 0.9705 0.5613 0.7053 0.1032 0.0257 0.0625 105 GLU A OE2 825 N N . MET A 106 ? 0.7562 0.4057 0.6002 0.0021 0.0374 0.0230 106 MET A N 826 C CA . MET A 106 ? 0.7981 0.4130 0.6381 -0.0150 0.0479 0.0153 106 MET A CA 827 C C . MET A 106 ? 0.8675 0.4197 0.6679 -0.0040 0.0590 0.0234 106 MET A C 828 O O . MET A 106 ? 0.8814 0.4204 0.6611 0.0211 0.0522 0.0270 106 MET A O 829 C CB . MET A 106 ? 0.7801 0.4136 0.6366 -0.0166 0.0381 0.0004 106 MET A CB 830 C CG . MET A 106 ? 0.7365 0.4283 0.6244 -0.0198 0.0257 -0.0059 106 MET A CG 831 S SD . MET A 106 ? 0.7380 0.4614 0.6554 -0.0460 0.0294 -0.0108 106 MET A SD 832 C CE . MET A 106 ? 0.7147 0.4160 0.6391 -0.0692 0.0370 -0.0273 106 MET A CE 833 N N . TYR A 107 ? 0.9219 0.4352 0.7116 -0.0229 0.0769 0.0256 107 TYR A N 834 C CA . TYR A 107 ? 1.0039 0.4474 0.7512 -0.0155 0.0919 0.0349 107 TYR A CA 835 C C . TYR A 107 ? 1.0529 0.4598 0.8003 -0.0350 0.1020 0.0222 107 TYR A C 836 O O . TYR A 107 ? 1.0221 0.4627 0.8046 -0.0557 0.0972 0.0059 107 TYR A O 837 C CB . TYR A 107 ? 1.0288 0.4487 0.7587 -0.0225 0.1089 0.0491 107 TYR A CB 838 C CG . TYR A 107 ? 1.0006 0.4561 0.7300 -0.0044 0.0989 0.0597 107 TYR A CG 839 C CD1 . TYR A 107 ? 1.0225 0.4664 0.7211 0.0294 0.0897 0.0698 107 TYR A CD1 840 C CD2 . TYR A 107 ? 0.9558 0.4583 0.7162 -0.0202 0.0977 0.0579 107 TYR A CD2 841 C CE1 . TYR A 107 ? 1.0038 0.4822 0.7037 0.0451 0.0794 0.0767 107 TYR A CE1 842 C CE2 . TYR A 107 ? 0.9279 0.4615 0.6876 -0.0043 0.0884 0.0660 107 TYR A CE2 843 C CZ . TYR A 107 ? 0.9554 0.4770 0.6855 0.0272 0.0793 0.0749 107 TYR A CZ 844 O OH . TYR A 107 ? 0.9358 0.4894 0.6666 0.0419 0.0695 0.0803 107 TYR A OH 845 N N . PRO A 108 ? 1.1358 0.4722 0.8421 -0.0274 0.1158 0.0287 108 PRO A N 846 C CA . PRO A 108 ? 1.1853 0.4812 0.8902 -0.0476 0.1268 0.0151 108 PRO A CA 847 C C . PRO A 108 ? 1.2001 0.4943 0.9285 -0.0869 0.1447 0.0077 108 PRO A C 848 O O . PRO A 108 ? 1.2042 0.5034 0.9332 -0.0951 0.1558 0.0187 108 PRO A O 849 C CB . PRO A 108 ? 1.2640 0.4797 0.9133 -0.0270 0.1392 0.0277 108 PRO A CB 850 C CG . PRO A 108 ? 1.2758 0.4832 0.8981 -0.0080 0.1433 0.0491 108 PRO A CG 851 C CD . PRO A 108 ? 1.1835 0.4716 0.8405 0.0003 0.1221 0.0480 108 PRO A CD 852 N N . GLY A 109 ? 1.2142 0.5025 0.9622 -0.1105 0.1477 -0.0122 109 GLY A N 853 C CA . GLY A 109 ? 1.2088 0.5183 0.9939 -0.1487 0.1587 -0.0264 109 GLY A CA 854 C C . GLY A 109 ? 1.1275 0.5226 0.9579 -0.1511 0.1386 -0.0352 109 GLY A C 855 O O . GLY A 109 ? 1.0845 0.5155 0.9209 -0.1302 0.1169 -0.0376 109 GLY A O 856 N N . ASN A 110 ? 1.1066 0.5335 0.9680 -0.1760 0.1468 -0.0400 110 ASN A N 857 C CA . ASN A 110 ? 1.0305 0.5348 0.9309 -0.1761 0.1289 -0.0469 110 ASN A CA 858 C C . ASN A 110 ? 0.9887 0.5141 0.8845 -0.1642 0.1299 -0.0276 110 ASN A C 859 O O . ASN A 110 ? 0.9461 0.5263 0.8741 -0.1723 0.1240 -0.0322 110 ASN A O 860 C CB . ASN A 110 ? 1.0280 0.5680 0.9729 -0.2086 0.1311 -0.0710 110 ASN A CB 861 C CG . ASN A 110 ? 1.0359 0.5943 0.9965 -0.2096 0.1140 -0.0936 110 ASN A CG 862 O OD1 . ASN A 110 ? 1.0136 0.6138 0.9817 -0.1905 0.0922 -0.0957 110 ASN A OD1 863 N ND2 . ASN A 110 ? 1.0816 0.6068 1.0455 -0.2319 0.1248 -0.1110 110 ASN A ND2 864 N N . ALA A 111 ? 0.9979 0.4791 0.8518 -0.1434 0.1368 -0.0069 111 ALA A N 865 C CA . ALA A 111 ? 0.9593 0.4553 0.8027 -0.1287 0.1370 0.0112 111 ALA A CA 866 C C . ALA A 111 ? 0.8848 0.4291 0.7363 -0.1031 0.1119 0.0136 111 ALA A C 867 O O . ALA A 111 ? 0.8692 0.4119 0.7136 -0.0866 0.0984 0.0099 111 ALA A O 868 C CB . ALA A 111 ? 1.0172 0.4465 0.8097 -0.1148 0.1540 0.0313 111 ALA A CB 869 N N . SER A 112 ? 0.8292 0.4157 0.6964 -0.1013 0.1072 0.0189 112 SER A N 870 C CA . SER A 112 ? 0.7638 0.3898 0.6353 -0.0785 0.0875 0.0233 112 SER A CA 871 C C . SER A 112 ? 0.7449 0.3914 0.6172 -0.0757 0.0905 0.0341 112 SER A C 872 O O . SER A 112 ? 0.7606 0.3996 0.6363 -0.0932 0.1068 0.0360 112 SER A O 873 C CB . SER A 112 ? 0.7133 0.3890 0.6192 -0.0826 0.0706 0.0078 112 SER A CB 874 O OG . SER A 112 ? 0.6858 0.3986 0.6238 -0.1028 0.0727 -0.0010 112 SER A OG 875 N N . GLU A 113 ? 0.7005 0.3732 0.5706 -0.0544 0.0755 0.0397 113 GLU A N 876 C CA . GLU A 113 ? 0.6790 0.3763 0.5512 -0.0490 0.0742 0.0474 113 GLU A CA 877 C C . GLU A 113 ? 0.6076 0.3553 0.5042 -0.0406 0.0550 0.0413 113 GLU A C 878 O O . GLU A 113 ? 0.5989 0.3508 0.4924 -0.0257 0.0429 0.0393 113 GLU A O 879 C CB . GLU A 113 ? 0.7169 0.3842 0.5507 -0.0259 0.0758 0.0622 113 GLU A CB 880 C CG . GLU A 113 ? 0.8357 0.4518 0.6367 -0.0296 0.0967 0.0734 113 GLU A CG 881 C CD . GLU A 113 ? 0.9360 0.5391 0.7032 -0.0060 0.0961 0.0875 113 GLU A CD 882 O OE1 . GLU A 113 ? 1.0052 0.5566 0.7301 0.0081 0.1051 0.0984 113 GLU A OE1 883 O OE2 . GLU A 113 ? 0.9169 0.5601 0.6980 -0.0006 0.0863 0.0871 113 GLU A OE2 884 N N . SER A 114 ? 0.5540 0.3380 0.4736 -0.0496 0.0536 0.0383 114 SER A N 885 C CA . SER A 114 ? 0.5058 0.3317 0.4452 -0.0425 0.0382 0.0336 114 SER A CA 886 C C . SER A 114 ? 0.4862 0.3237 0.4172 -0.0295 0.0346 0.0418 114 SER A C 887 O O . SER A 114 ? 0.4994 0.3205 0.4143 -0.0296 0.0450 0.0498 114 SER A O 888 C CB . SER A 114 ? 0.4773 0.3361 0.4474 -0.0589 0.0370 0.0226 114 SER A CB 889 O OG . SER A 114 ? 0.5018 0.3559 0.4807 -0.0677 0.0357 0.0121 114 SER A OG 890 N N . PHE A 115 ? 0.4476 0.3126 0.3889 -0.0192 0.0211 0.0390 115 PHE A N 891 C CA . PHE A 115 ? 0.4324 0.3110 0.3687 -0.0075 0.0158 0.0435 115 PHE A CA 892 C C . PHE A 115 ? 0.3965 0.3105 0.3556 -0.0077 0.0055 0.0369 115 PHE A C 893 O O . PHE A 115 ? 0.3690 0.2934 0.3413 -0.0105 0.0005 0.0306 115 PHE A O 894 C CB . PHE A 115 ? 0.4528 0.3148 0.3666 0.0119 0.0104 0.0482 115 PHE A CB 895 C CG . PHE A 115 ? 0.4548 0.3196 0.3740 0.0187 0.0021 0.0426 115 PHE A CG 896 C CD1 . PHE A 115 ? 0.4162 0.3120 0.3543 0.0228 -0.0083 0.0362 115 PHE A CD1 897 C CD2 . PHE A 115 ? 0.4680 0.3030 0.3732 0.0204 0.0065 0.0434 115 PHE A CD2 898 C CE1 . PHE A 115 ? 0.4291 0.3289 0.3727 0.0286 -0.0137 0.0309 115 PHE A CE1 899 C CE2 . PHE A 115 ? 0.4550 0.2933 0.3648 0.0277 -0.0004 0.0376 115 PHE A CE2 900 C CZ . PHE A 115 ? 0.4179 0.2904 0.3476 0.0318 -0.0103 0.0314 115 PHE A CZ 901 N N . LEU A 116 ? 0.3806 0.3100 0.3418 -0.0047 0.0038 0.0384 116 LEU A N 902 C CA . LEU A 116 ? 0.3440 0.3001 0.3214 -0.0030 -0.0045 0.0334 116 LEU A CA 903 C C . LEU A 116 ? 0.3466 0.3070 0.3151 0.0070 -0.0080 0.0357 116 LEU A C 904 O O . LEU A 116 ? 0.3505 0.3117 0.3139 0.0055 -0.0031 0.0385 116 LEU A O 905 C CB . LEU A 116 ? 0.3262 0.2996 0.3203 -0.0139 -0.0020 0.0296 116 LEU A CB 906 C CG . LEU A 116 ? 0.3050 0.2988 0.3132 -0.0129 -0.0091 0.0244 116 LEU A CG 907 C CD1 . LEU A 116 ? 0.3107 0.3197 0.3307 -0.0199 -0.0069 0.0209 116 LEU A CD1 908 C CD2 . LEU A 116 ? 0.2906 0.2917 0.2973 -0.0049 -0.0139 0.0247 116 LEU A CD2 909 N N . HIS A 117 ? 0.3270 0.2920 0.2944 0.0173 -0.0163 0.0329 117 HIS A N 910 C CA . HIS A 117 ? 0.3394 0.3105 0.2994 0.0279 -0.0219 0.0318 117 HIS A CA 911 C C . HIS A 117 ? 0.3224 0.3162 0.3012 0.0264 -0.0285 0.0238 117 HIS A C 912 O O . HIS A 117 ? 0.3205 0.3217 0.3128 0.0232 -0.0302 0.0198 117 HIS A O 913 C CB . HIS A 117 ? 0.3633 0.3222 0.3060 0.0430 -0.0265 0.0329 117 HIS A CB 914 C CG . HIS A 117 ? 0.3991 0.3278 0.3155 0.0468 -0.0182 0.0424 117 HIS A CG 915 N ND1 . HIS A 117 ? 0.4749 0.3859 0.3666 0.0641 -0.0212 0.0457 117 HIS A ND1 916 C CD2 . HIS A 117 ? 0.4029 0.3148 0.3129 0.0356 -0.0058 0.0488 117 HIS A CD2 917 C CE1 . HIS A 117 ? 0.5038 0.3827 0.3714 0.0633 -0.0096 0.0555 117 HIS A CE1 918 N NE2 . HIS A 117 ? 0.4820 0.3622 0.3624 0.0445 0.0005 0.0570 117 HIS A NE2 919 N N . VAL A 118 ? 0.3139 0.3160 0.2918 0.0285 -0.0308 0.0214 118 VAL A N 920 C CA . VAL A 118 ? 0.3058 0.3243 0.2994 0.0254 -0.0349 0.0136 118 VAL A CA 921 C C . VAL A 118 ? 0.3224 0.3505 0.3139 0.0347 -0.0432 0.0059 118 VAL A C 922 O O . VAL A 118 ? 0.3415 0.3648 0.3162 0.0430 -0.0450 0.0075 118 VAL A O 923 C CB . VAL A 118 ? 0.3029 0.3233 0.2995 0.0186 -0.0302 0.0148 118 VAL A CB 924 C CG1 . VAL A 118 ? 0.2801 0.3101 0.2891 0.0156 -0.0328 0.0072 118 VAL A CG1 925 C CG2 . VAL A 118 ? 0.2748 0.2917 0.2761 0.0107 -0.0240 0.0195 118 VAL A CG2 926 N N . ALA A 119 ? 0.3143 0.3572 0.3229 0.0334 -0.0478 -0.0033 119 ALA A N 927 C CA . ALA A 119 ? 0.3236 0.3818 0.3366 0.0402 -0.0568 -0.0148 119 ALA A CA 928 C C . ALA A 119 ? 0.3141 0.3813 0.3439 0.0296 -0.0554 -0.0236 119 ALA A C 929 O O . ALA A 119 ? 0.3040 0.3700 0.3468 0.0189 -0.0487 -0.0230 119 ALA A O 930 C CB . ALA A 119 ? 0.3271 0.3987 0.3479 0.0485 -0.0637 -0.0219 119 ALA A CB 931 N N . PHE A 120 ? 0.3293 0.4020 0.3553 0.0334 -0.0610 -0.0313 120 PHE A N 932 C CA . PHE A 120 ? 0.3226 0.3996 0.3619 0.0238 -0.0596 -0.0412 120 PHE A CA 933 C C . PHE A 120 ? 0.3309 0.4297 0.3838 0.0269 -0.0697 -0.0587 120 PHE A C 934 O O . PHE A 120 ? 0.3544 0.4606 0.3948 0.0410 -0.0799 -0.0628 120 PHE A O 935 C CB . PHE A 120 ? 0.3338 0.3987 0.3566 0.0259 -0.0578 -0.0372 120 PHE A CB 936 C CG . PHE A 120 ? 0.3223 0.3866 0.3535 0.0184 -0.0569 -0.0479 120 PHE A CG 937 C CD1 . PHE A 120 ? 0.2975 0.3493 0.3351 0.0077 -0.0472 -0.0446 120 PHE A CD1 938 C CD2 . PHE A 120 ? 0.3201 0.3933 0.3492 0.0235 -0.0656 -0.0614 120 PHE A CD2 939 C CE1 . PHE A 120 ? 0.3410 0.3855 0.3825 0.0013 -0.0448 -0.0537 120 PHE A CE1 940 C CE2 . PHE A 120 ? 0.3367 0.4056 0.3726 0.0156 -0.0641 -0.0725 120 PHE A CE2 941 C CZ . PHE A 120 ? 0.3100 0.3625 0.3517 0.0041 -0.0529 -0.0683 120 PHE A CZ 942 N N . GLN A 121 ? 0.3175 0.4273 0.3956 0.0145 -0.0665 -0.0698 121 GLN A N 943 C CA . GLN A 121 ? 0.3071 0.4448 0.4067 0.0148 -0.0754 -0.0900 121 GLN A CA 944 C C . GLN A 121 ? 0.3100 0.4652 0.4065 0.0316 -0.0862 -0.0915 121 GLN A C 945 O O . GLN A 121 ? 0.3110 0.4878 0.4104 0.0426 -0.0993 -0.1058 121 GLN A O 946 C CB . GLN A 121 ? 0.3190 0.4618 0.4175 0.0152 -0.0828 -0.1044 121 GLN A CB 947 C CG . GLN A 121 ? 0.3324 0.4523 0.4282 0.0019 -0.0724 -0.1026 121 GLN A CG 948 C CD . GLN A 121 ? 0.3336 0.4516 0.4543 -0.0179 -0.0605 -0.1095 121 GLN A CD 949 O OE1 . GLN A 121 ? 0.3301 0.4482 0.4600 -0.0233 -0.0523 -0.1024 121 GLN A OE1 950 N NE2 . GLN A 121 ? 0.3460 0.4603 0.4761 -0.0287 -0.0583 -0.1238 121 GLN A NE2 951 N N . GLY A 122 ? 0.3055 0.4504 0.3943 0.0351 -0.0811 -0.0773 122 GLY A N 952 C CA . GLY A 122 ? 0.3050 0.4620 0.3895 0.0517 -0.0897 -0.0782 122 GLY A CA 953 C C . GLY A 122 ? 0.3288 0.4725 0.3795 0.0718 -0.0978 -0.0700 122 GLY A C 954 O O . GLY A 122 ? 0.3394 0.4908 0.3811 0.0899 -0.1067 -0.0718 122 GLY A O 955 N N . LYS A 123 ? 0.3203 0.4434 0.3506 0.0701 -0.0939 -0.0610 123 LYS A N 956 C CA . LYS A 123 ? 0.3501 0.4551 0.3451 0.0871 -0.0969 -0.0504 123 LYS A CA 957 C C . LYS A 123 ? 0.3505 0.4254 0.3278 0.0804 -0.0834 -0.0307 123 LYS A C 958 O O . LYS A 123 ? 0.3280 0.3964 0.3125 0.0660 -0.0748 -0.0270 123 LYS A O 959 C CB . LYS A 123 ? 0.3696 0.4817 0.3517 0.0969 -0.1065 -0.0602 123 LYS A CB 960 N N . TYR A 124 ? 0.3710 0.4278 0.3257 0.0914 -0.0813 -0.0192 124 TYR A N 961 C CA . TYR A 124 ? 0.3674 0.3972 0.3070 0.0844 -0.0680 -0.0026 124 TYR A CA 962 C C . TYR A 124 ? 0.3712 0.3915 0.2929 0.0849 -0.0638 0.0017 124 TYR A C 963 O O . TYR A 124 ? 0.4008 0.4162 0.2978 0.1007 -0.0688 0.0016 124 TYR A O 964 C CB . TYR A 124 ? 0.3889 0.3981 0.3051 0.0972 -0.0665 0.0067 124 TYR A CB 965 C CG . TYR A 124 ? 0.4122 0.3912 0.3095 0.0910 -0.0523 0.0222 124 TYR A CG 966 C CD1 . TYR A 124 ? 0.3933 0.3714 0.3077 0.0718 -0.0426 0.0257 124 TYR A CD1 967 C CD2 . TYR A 124 ? 0.4642 0.4149 0.3260 0.1048 -0.0480 0.0326 124 TYR A CD2 968 C CE1 . TYR A 124 ? 0.4185 0.3745 0.3214 0.0639 -0.0296 0.0366 124 TYR A CE1 969 C CE2 . TYR A 124 ? 0.4896 0.4119 0.3371 0.0953 -0.0320 0.0456 124 TYR A CE2 970 C CZ . TYR A 124 ? 0.4400 0.3685 0.3117 0.0738 -0.0235 0.0461 124 TYR A CZ 971 O OH . TYR A 124 ? 0.4400 0.3477 0.3050 0.0621 -0.0085 0.0551 124 TYR A OH 972 N N . VAL A 125 ? 0.3545 0.3731 0.2869 0.0699 -0.0549 0.0051 125 VAL A N 973 C CA . VAL A 125 ? 0.3654 0.3800 0.2858 0.0699 -0.0507 0.0069 125 VAL A CA 974 C C . VAL A 125 ? 0.3669 0.3681 0.2835 0.0599 -0.0363 0.0186 125 VAL A C 975 O O . VAL A 125 ? 0.3899 0.3842 0.2903 0.0627 -0.0299 0.0231 125 VAL A O 976 C CB . VAL A 125 ? 0.3410 0.3721 0.2802 0.0632 -0.0554 -0.0053 125 VAL A CB 977 C CG1 . VAL A 125 ? 0.3583 0.4050 0.2988 0.0733 -0.0693 -0.0201 125 VAL A CG1 978 C CG2 . VAL A 125 ? 0.3073 0.3443 0.2733 0.0482 -0.0519 -0.0071 125 VAL A CG2 979 N N . VAL A 126 ? 0.3433 0.3433 0.2758 0.0487 -0.0314 0.0221 126 VAL A N 980 C CA . VAL A 126 ? 0.3353 0.3314 0.2732 0.0374 -0.0202 0.0285 126 VAL A CA 981 C C . VAL A 126 ? 0.3437 0.3291 0.2844 0.0311 -0.0149 0.0341 126 VAL A C 982 O O . VAL A 126 ? 0.3359 0.3224 0.2840 0.0319 -0.0205 0.0314 126 VAL A O 983 C CB . VAL A 126 ? 0.3229 0.3339 0.2821 0.0290 -0.0212 0.0226 126 VAL A CB 984 C CG1 . VAL A 126 ? 0.2806 0.2931 0.2503 0.0188 -0.0128 0.0266 126 VAL A CG1 985 C CG2 . VAL A 126 ? 0.3287 0.3451 0.2822 0.0340 -0.0229 0.0178 126 VAL A CG2 986 N N . ARG A 127 ? 0.3518 0.3275 0.2876 0.0241 -0.0032 0.0407 127 ARG A N 987 C CA . ARG A 127 ? 0.3417 0.3087 0.2840 0.0149 0.0022 0.0433 127 ARG A CA 988 C C . ARG A 127 ? 0.3356 0.3108 0.2917 0.0017 0.0117 0.0431 127 ARG A C 989 O O . ARG A 127 ? 0.3260 0.3093 0.2813 0.0012 0.0169 0.0434 127 ARG A O 990 C CB . ARG A 127 ? 0.3712 0.3107 0.2890 0.0205 0.0080 0.0509 127 ARG A CB 991 C CG . ARG A 127 ? 0.4052 0.3294 0.3042 0.0190 0.0220 0.0585 127 ARG A CG 992 C CD . ARG A 127 ? 0.4386 0.3284 0.3099 0.0244 0.0296 0.0672 127 ARG A CD 993 N NE . ARG A 127 ? 0.4907 0.3595 0.3382 0.0237 0.0459 0.0762 127 ARG A NE 994 C CZ . ARG A 127 ? 0.5626 0.3937 0.3816 0.0262 0.0580 0.0858 127 ARG A CZ 995 N NH1 . ARG A 127 ? 0.5968 0.4089 0.4091 0.0305 0.0539 0.0867 127 ARG A NH1 996 N NH2 . ARG A 127 ? 0.5887 0.3985 0.3841 0.0249 0.0755 0.0948 127 ARG A NH2 997 N N . PHE A 128 ? 0.3256 0.3015 0.2952 -0.0079 0.0133 0.0409 128 PHE A N 998 C CA . PHE A 128 ? 0.3168 0.2995 0.2993 -0.0210 0.0230 0.0391 128 PHE A CA 999 C C . PHE A 128 ? 0.3523 0.3092 0.3203 -0.0271 0.0360 0.0451 128 PHE A C 1000 O O . PHE A 128 ? 0.3716 0.3066 0.3279 -0.0247 0.0351 0.0478 128 PHE A O 1001 C CB . PHE A 128 ? 0.2938 0.2914 0.2978 -0.0282 0.0175 0.0314 128 PHE A CB 1002 C CG . PHE A 128 ? 0.2718 0.2897 0.2948 -0.0385 0.0231 0.0254 128 PHE A CG 1003 C CD1 . PHE A 128 ? 0.2677 0.3099 0.3019 -0.0341 0.0186 0.0211 128 PHE A CD1 1004 C CD2 . PHE A 128 ? 0.2559 0.2684 0.2854 -0.0523 0.0339 0.0232 128 PHE A CD2 1005 C CE1 . PHE A 128 ? 0.2458 0.3121 0.2990 -0.0409 0.0228 0.0140 128 PHE A CE1 1006 C CE2 . PHE A 128 ? 0.2843 0.3221 0.3360 -0.0624 0.0392 0.0150 128 PHE A CE2 1007 C CZ . PHE A 128 ? 0.2415 0.3088 0.3057 -0.0555 0.0328 0.0101 128 PHE A CZ 1008 N N . TRP A 129 ? 0.3595 0.3176 0.3280 -0.0352 0.0496 0.0468 129 TRP A N 1009 C CA . TRP A 129 ? 0.4134 0.3421 0.3649 -0.0422 0.0659 0.0536 129 TRP A CA 1010 C C . TRP A 129 ? 0.4168 0.3592 0.3869 -0.0595 0.0813 0.0495 129 TRP A C 1011 O O . TRP A 129 ? 0.4097 0.3720 0.3853 -0.0583 0.0853 0.0487 129 TRP A O 1012 C CB . TRP A 129 ? 0.4488 0.3539 0.3655 -0.0276 0.0700 0.0644 129 TRP A CB 1013 C CG . TRP A 129 ? 0.5377 0.4028 0.4273 -0.0315 0.0885 0.0743 129 TRP A CG 1014 C CD1 . TRP A 129 ? 0.6049 0.4561 0.4779 -0.0352 0.1077 0.0816 129 TRP A CD1 1015 C CD2 . TRP A 129 ? 0.6006 0.4309 0.4737 -0.0311 0.0912 0.0784 129 TRP A CD2 1016 N NE1 . TRP A 129 ? 0.6779 0.4841 0.5230 -0.0380 0.1233 0.0909 129 TRP A NE1 1017 C CE2 . TRP A 129 ? 0.6804 0.4726 0.5249 -0.0349 0.1129 0.0890 129 TRP A CE2 1018 C CE3 . TRP A 129 ? 0.6204 0.4461 0.4980 -0.0271 0.0785 0.0745 129 TRP A CE3 1019 C CZ2 . TRP A 129 ? 0.7428 0.4893 0.5618 -0.0343 0.1217 0.0958 129 TRP A CZ2 1020 C CZ3 . TRP A 129 ? 0.6873 0.4714 0.5418 -0.0260 0.0862 0.0802 129 TRP A CZ3 1021 C CH2 . TRP A 129 ? 0.7282 0.4717 0.5530 -0.0294 0.1074 0.0909 129 TRP A CH2 1022 N N . GLY A 130 ? 0.4272 0.3603 0.4080 -0.0757 0.0901 0.0453 130 GLY A N 1023 C CA . GLY A 130 ? 0.4421 0.3914 0.4460 -0.0952 0.1057 0.0383 130 GLY A CA 1024 C C . GLY A 130 ? 0.4113 0.4083 0.4511 -0.0978 0.0935 0.0243 130 GLY A C 1025 O O . GLY A 130 ? 0.3916 0.3991 0.4481 -0.1021 0.0834 0.0149 130 GLY A O 1026 N N . THR A 131 ? 0.4083 0.4327 0.4566 -0.0928 0.0944 0.0229 131 THR A N 1027 C CA . THR A 131 ? 0.3813 0.4500 0.4597 -0.0911 0.0830 0.0102 131 THR A CA 1028 C C . THR A 131 ? 0.3686 0.4498 0.4389 -0.0714 0.0696 0.0130 131 THR A C 1029 O O . THR A 131 ? 0.3589 0.4732 0.4487 -0.0670 0.0624 0.0042 131 THR A O 1030 C CB . THR A 131 ? 0.3928 0.4916 0.4978 -0.1049 0.0973 0.0009 131 THR A CB 1031 O OG1 . THR A 131 ? 0.4001 0.4940 0.4898 -0.1000 0.1100 0.0096 131 THR A OG1 1032 C CG2 . THR A 131 ? 0.4126 0.5008 0.5303 -0.1285 0.1131 -0.0046 131 THR A CG2 1033 N N . SER A 132 ? 0.3622 0.4174 0.4040 -0.0592 0.0662 0.0239 132 SER A N 1034 C CA . SER A 132 ? 0.3418 0.4057 0.3760 -0.0432 0.0557 0.0251 132 SER A CA 1035 C C . SER A 132 ? 0.3392 0.3785 0.3499 -0.0316 0.0459 0.0321 132 SER A C 1036 O O . SER A 132 ? 0.3527 0.3664 0.3480 -0.0329 0.0484 0.0380 132 SER A O 1037 C CB . SER A 132 ? 0.3627 0.4354 0.3919 -0.0402 0.0668 0.0270 132 SER A CB 1038 O OG . SER A 132 ? 0.4120 0.4562 0.4155 -0.0411 0.0800 0.0372 132 SER A OG 1039 N N . TRP A 133 ? 0.3157 0.3639 0.3251 -0.0200 0.0345 0.0300 133 TRP A N 1040 C CA . TRP A 133 ? 0.3136 0.3458 0.3047 -0.0092 0.0258 0.0336 133 TRP A CA 1041 C C . TRP A 133 ? 0.3443 0.3646 0.3128 -0.0024 0.0328 0.0392 133 TRP A C 1042 O O . TRP A 133 ? 0.3431 0.3728 0.3116 -0.0028 0.0418 0.0391 133 TRP A O 1043 C CB . TRP A 133 ? 0.2933 0.3378 0.2916 -0.0018 0.0145 0.0281 133 TRP A CB 1044 C CG . TRP A 133 ? 0.2893 0.3430 0.3040 -0.0054 0.0081 0.0236 133 TRP A CG 1045 C CD1 . TRP A 133 ? 0.2819 0.3548 0.3118 -0.0062 0.0071 0.0181 133 TRP A CD1 1046 C CD2 . TRP A 133 ? 0.2876 0.3321 0.3027 -0.0065 0.0016 0.0237 133 TRP A CD2 1047 N NE1 . TRP A 133 ? 0.2820 0.3560 0.3187 -0.0070 0.0002 0.0155 133 TRP A NE1 1048 C CE2 . TRP A 133 ? 0.2850 0.3415 0.3134 -0.0082 -0.0023 0.0190 133 TRP A CE2 1049 C CE3 . TRP A 133 ? 0.2774 0.3059 0.2823 -0.0045 -0.0012 0.0268 133 TRP A CE3 1050 C CZ2 . TRP A 133 ? 0.2722 0.3234 0.3025 -0.0089 -0.0076 0.0180 133 TRP A CZ2 1051 C CZ3 . TRP A 133 ? 0.3003 0.3263 0.3106 -0.0058 -0.0065 0.0250 133 TRP A CZ3 1052 C CH2 . TRP A 133 ? 0.2638 0.3001 0.2859 -0.0084 -0.0090 0.0211 133 TRP A CH2 1053 N N . GLN A 134 ? 0.3686 0.3690 0.3166 0.0052 0.0287 0.0437 134 GLN A N 1054 C CA . GLN A 134 ? 0.4133 0.4019 0.3350 0.0160 0.0321 0.0482 134 GLN A CA 1055 C C . GLN A 134 ? 0.4164 0.3985 0.3255 0.0288 0.0177 0.0459 134 GLN A C 1056 O O . GLN A 134 ? 0.4146 0.3946 0.3313 0.0280 0.0096 0.0442 134 GLN A O 1057 C CB . GLN A 134 ? 0.4438 0.4098 0.3456 0.0126 0.0483 0.0578 134 GLN A CB 1058 C CG . GLN A 134 ? 0.4932 0.4355 0.3841 0.0128 0.0472 0.0627 134 GLN A CG 1059 C CD . GLN A 134 ? 0.5821 0.4924 0.4453 0.0115 0.0650 0.0737 134 GLN A CD 1060 O OE1 . GLN A 134 ? 0.6506 0.5338 0.4884 0.0215 0.0632 0.0798 134 GLN A OE1 1061 N NE2 . GLN A 134 ? 0.5857 0.4983 0.4537 -0.0005 0.0831 0.0759 134 GLN A NE2 1062 N N . THR A 135 ? 0.4230 0.4042 0.3140 0.0409 0.0143 0.0445 135 THR A N 1063 C CA . THR A 135 ? 0.4250 0.4026 0.3034 0.0540 0.0007 0.0404 135 THR A CA 1064 C C . THR A 135 ? 0.4587 0.4120 0.3063 0.0640 0.0049 0.0494 135 THR A C 1065 O O . THR A 135 ? 0.4817 0.4185 0.3115 0.0623 0.0201 0.0589 135 THR A O 1066 C CB . THR A 135 ? 0.4304 0.4179 0.3017 0.0636 -0.0065 0.0323 135 THR A CB 1067 O OG1 . THR A 135 ? 0.4581 0.4387 0.3091 0.0676 0.0053 0.0380 135 THR A OG1 1068 C CG2 . THR A 135 ? 0.3890 0.3940 0.2874 0.0554 -0.0112 0.0233 135 THR A CG2 1069 N N . VAL A 136 ? 0.4573 0.4076 0.2985 0.0746 -0.0073 0.0463 136 VAL A N 1070 C CA . VAL A 136 ? 0.4909 0.4162 0.2996 0.0886 -0.0056 0.0545 136 VAL A CA 1071 C C . VAL A 136 ? 0.5236 0.4483 0.3034 0.1100 -0.0149 0.0510 136 VAL A C 1072 O O . VAL A 136 ? 0.5115 0.4567 0.3011 0.1117 -0.0236 0.0404 136 VAL A O 1073 C CB . VAL A 136 ? 0.4885 0.4125 0.3075 0.0899 -0.0139 0.0524 136 VAL A CB 1074 C CG1 . VAL A 136 ? 0.4516 0.3794 0.2995 0.0694 -0.0067 0.0534 136 VAL A CG1 1075 C CG2 . VAL A 136 ? 0.4553 0.4052 0.2906 0.0979 -0.0330 0.0382 136 VAL A CG2 1076 N N . PRO A 137 ? 0.5743 0.4734 0.3156 0.1279 -0.0133 0.0593 137 PRO A N 1077 C CA . PRO A 137 ? 0.6049 0.5045 0.3151 0.1507 -0.0230 0.0551 137 PRO A CA 1078 C C . PRO A 137 ? 0.5845 0.5151 0.3130 0.1605 -0.0471 0.0365 137 PRO A C 1079 O O . PRO A 137 ? 0.5691 0.5107 0.3192 0.1585 -0.0560 0.0310 137 PRO A O 1080 C CB . PRO A 137 ? 0.6598 0.5217 0.3230 0.1693 -0.0160 0.0689 137 PRO A CB 1081 C CG . PRO A 137 ? 0.6713 0.5084 0.3395 0.1487 0.0066 0.0830 137 PRO A CG 1082 C CD . PRO A 137 ? 0.6001 0.4638 0.3183 0.1283 0.0007 0.0739 137 PRO A CD 1083 N N . GLY A 138 ? 0.5828 0.5284 0.3041 0.1700 -0.0564 0.0259 138 GLY A N 1084 C CA . GLY A 138 ? 0.5557 0.5336 0.2990 0.1755 -0.0780 0.0049 138 GLY A CA 1085 C C . GLY A 138 ? 0.5064 0.5085 0.2950 0.1527 -0.0795 -0.0066 138 GLY A C 1086 O O . GLY A 138 ? 0.5009 0.5283 0.3113 0.1527 -0.0943 -0.0249 138 GLY A O 1087 N N . ALA A 139 ? 0.4735 0.4675 0.2758 0.1338 -0.0639 0.0029 139 ALA A N 1088 C CA . ALA A 139 ? 0.4545 0.4656 0.2946 0.1144 -0.0638 -0.0055 139 ALA A CA 1089 C C . ALA A 139 ? 0.4510 0.4687 0.2874 0.1159 -0.0658 -0.0146 139 ALA A C 1090 O O . ALA A 139 ? 0.4833 0.4897 0.2900 0.1266 -0.0604 -0.0091 139 ALA A O 1091 C CB . ALA A 139 ? 0.4210 0.4233 0.2762 0.0967 -0.0483 0.0067 139 ALA A CB 1092 N N . PRO A 140 ? 0.4335 0.4671 0.2977 0.1058 -0.0726 -0.0288 140 PRO A N 1093 C CA . PRO A 140 ? 0.4430 0.4801 0.3017 0.1084 -0.0754 -0.0395 140 PRO A CA 1094 C C . PRO A 140 ? 0.4276 0.4542 0.2838 0.1010 -0.0602 -0.0293 140 PRO A C 1095 O O . PRO A 140 ? 0.3997 0.4228 0.2702 0.0893 -0.0501 -0.0189 140 PRO A O 1096 C CB . PRO A 140 ? 0.4250 0.4779 0.3154 0.0975 -0.0850 -0.0576 140 PRO A CB 1097 C CG . PRO A 140 ? 0.4146 0.4694 0.3298 0.0842 -0.0804 -0.0512 140 PRO A CG 1098 C CD . PRO A 140 ? 0.4136 0.4606 0.3117 0.0932 -0.0777 -0.0370 140 PRO A CD 1099 N N . SER A 141 ? 0.4386 0.4626 0.2765 0.1093 -0.0592 -0.0336 141 SER A N 1100 C CA . SER A 141 ? 0.4363 0.4536 0.2687 0.1063 -0.0445 -0.0247 141 SER A CA 1101 C C . SER A 141 ? 0.4148 0.4356 0.2744 0.0926 -0.0405 -0.0275 141 SER A C 1102 O O . SER A 141 ? 0.4162 0.4359 0.2794 0.0881 -0.0282 -0.0183 141 SER A O 1103 C CB . SER A 141 ? 0.4635 0.4779 0.2686 0.1205 -0.0451 -0.0306 141 SER A CB 1104 O OG . SER A 141 ? 0.4952 0.5031 0.2685 0.1360 -0.0474 -0.0263 141 SER A OG 1105 N N . TRP A 142 ? 0.4001 0.4249 0.2781 0.0864 -0.0503 -0.0407 142 TRP A N 1106 C CA . TRP A 142 ? 0.3847 0.4063 0.2814 0.0761 -0.0456 -0.0428 142 TRP A CA 1107 C C . TRP A 142 ? 0.3601 0.3824 0.2716 0.0669 -0.0369 -0.0295 142 TRP A C 1108 O O . TRP A 142 ? 0.3633 0.3836 0.2820 0.0636 -0.0302 -0.0264 142 TRP A O 1109 C CB . TRP A 142 ? 0.3786 0.3993 0.2911 0.0689 -0.0542 -0.0588 142 TRP A CB 1110 C CG . TRP A 142 ? 0.3670 0.3959 0.2970 0.0614 -0.0604 -0.0617 142 TRP A CG 1111 C CD1 . TRP A 142 ? 0.3765 0.4172 0.3065 0.0661 -0.0723 -0.0727 142 TRP A CD1 1112 C CD2 . TRP A 142 ? 0.3360 0.3643 0.2858 0.0498 -0.0556 -0.0549 142 TRP A CD2 1113 N NE1 . TRP A 142 ? 0.3641 0.4131 0.3147 0.0577 -0.0743 -0.0729 142 TRP A NE1 1114 C CE2 . TRP A 142 ? 0.3553 0.3955 0.3173 0.0472 -0.0636 -0.0616 142 TRP A CE2 1115 C CE3 . TRP A 142 ? 0.3539 0.3744 0.3113 0.0430 -0.0459 -0.0446 142 TRP A CE3 1116 C CZ2 . TRP A 142 ? 0.3506 0.3933 0.3317 0.0370 -0.0606 -0.0576 142 TRP A CZ2 1117 C CZ3 . TRP A 142 ? 0.3568 0.3785 0.3308 0.0335 -0.0439 -0.0405 142 TRP A CZ3 1118 C CH2 . TRP A 142 ? 0.3636 0.3956 0.3493 0.0301 -0.0505 -0.0467 142 TRP A CH2 1119 N N . LEU A 143 ? 0.3632 0.3883 0.2770 0.0647 -0.0376 -0.0225 143 LEU A N 1120 C CA . LEU A 143 ? 0.3527 0.3785 0.2802 0.0557 -0.0305 -0.0116 143 LEU A CA 1121 C C . LEU A 143 ? 0.3637 0.3907 0.2864 0.0560 -0.0184 -0.0019 143 LEU A C 1122 O O . LEU A 143 ? 0.3655 0.3963 0.3021 0.0485 -0.0130 0.0038 143 LEU A O 1123 C CB . LEU A 143 ? 0.3432 0.3690 0.2706 0.0551 -0.0337 -0.0072 143 LEU A CB 1124 C CG . LEU A 143 ? 0.3346 0.3651 0.2791 0.0499 -0.0424 -0.0152 143 LEU A CG 1125 C CD1 . LEU A 143 ? 0.3201 0.3519 0.2583 0.0556 -0.0475 -0.0127 143 LEU A CD1 1126 C CD2 . LEU A 143 ? 0.2856 0.3156 0.2500 0.0383 -0.0377 -0.0124 143 LEU A CD2 1127 N N . ASP A 144 ? 0.3807 0.4068 0.2848 0.0647 -0.0139 -0.0014 144 ASP A N 1128 C CA . ASP A 144 ? 0.3826 0.4140 0.2854 0.0642 -0.0008 0.0055 144 ASP A CA 1129 C C . ASP A 144 ? 0.3695 0.4098 0.2906 0.0609 0.0011 0.0025 144 ASP A C 1130 O O . ASP A 144 ? 0.3566 0.4078 0.2881 0.0569 0.0103 0.0073 144 ASP A O 1131 C CB . ASP A 144 ? 0.4010 0.4300 0.2795 0.0754 0.0043 0.0052 144 ASP A CB 1132 C CG . ASP A 144 ? 0.4447 0.4625 0.2986 0.0813 0.0062 0.0118 144 ASP A CG 1133 O OD1 . ASP A 144 ? 0.4297 0.4417 0.2869 0.0759 0.0058 0.0181 144 ASP A OD1 1134 O OD2 . ASP A 144 ? 0.4824 0.4952 0.3105 0.0932 0.0084 0.0108 144 ASP A OD2 1135 N N . LEU A 145 ? 0.3653 0.4006 0.2894 0.0634 -0.0066 -0.0061 145 LEU A N 1136 C CA . LEU A 145 ? 0.3664 0.4047 0.3021 0.0638 -0.0050 -0.0083 145 LEU A CA 1137 C C . LEU A 145 ? 0.3464 0.3874 0.2997 0.0550 -0.0060 -0.0039 145 LEU A C 1138 O O . LEU A 145 ? 0.3486 0.4019 0.3119 0.0544 -0.0011 -0.0006 145 LEU A O 1139 C CB . LEU A 145 ? 0.3715 0.3966 0.3007 0.0694 -0.0105 -0.0182 145 LEU A CB 1140 C CG . LEU A 145 ? 0.3978 0.4200 0.3312 0.0746 -0.0081 -0.0198 145 LEU A CG 1141 C CD1 . LEU A 145 ? 0.3616 0.4038 0.3000 0.0807 -0.0003 -0.0154 145 LEU A CD1 1142 C CD2 . LEU A 145 ? 0.3871 0.3911 0.3074 0.0819 -0.0110 -0.0301 145 LEU A CD2 1143 N N . PRO A 146 ? 0.3484 0.3805 0.3062 0.0486 -0.0123 -0.0050 146 PRO A N 1144 C CA . PRO A 146 ? 0.3366 0.3712 0.3080 0.0410 -0.0123 -0.0002 146 PRO A CA 1145 C C . PRO A 146 ? 0.3234 0.3702 0.3008 0.0368 -0.0068 0.0066 146 PRO A C 1146 O O . PRO A 146 ? 0.3218 0.3764 0.3104 0.0341 -0.0054 0.0082 146 PRO A O 1147 C CB . PRO A 146 ? 0.3259 0.3523 0.2994 0.0355 -0.0184 -0.0029 146 PRO A CB 1148 C CG . PRO A 146 ? 0.3470 0.3647 0.3137 0.0390 -0.0222 -0.0121 146 PRO A CG 1149 C CD . PRO A 146 ? 0.3560 0.3775 0.3090 0.0480 -0.0196 -0.0128 146 PRO A CD 1150 N N . ILE A 147 ? 0.3358 0.3830 0.3044 0.0366 -0.0031 0.0099 147 ILE A N 1151 C CA . ILE A 147 ? 0.3416 0.3958 0.3149 0.0303 0.0052 0.0162 147 ILE A CA 1152 C C . ILE A 147 ? 0.3370 0.4089 0.3206 0.0305 0.0128 0.0149 147 ILE A C 1153 O O . ILE A 147 ? 0.3313 0.4154 0.3308 0.0237 0.0158 0.0150 147 ILE A O 1154 C CB . ILE A 147 ? 0.3569 0.4008 0.3118 0.0320 0.0099 0.0213 147 ILE A CB 1155 C CG1 . ILE A 147 ? 0.3853 0.4170 0.3341 0.0328 0.0012 0.0216 147 ILE A CG1 1156 C CG2 . ILE A 147 ? 0.3813 0.4275 0.3384 0.0241 0.0228 0.0277 147 ILE A CG2 1157 C CD1 . ILE A 147 ? 0.3589 0.3890 0.3203 0.0241 0.0003 0.0245 147 ILE A CD1 1158 N N . LYS A 148 ? 0.3433 0.4188 0.3190 0.0392 0.0151 0.0117 148 LYS A N 1159 C CA . LYS A 148 ? 0.3483 0.4442 0.3345 0.0425 0.0216 0.0085 148 LYS A CA 1160 C C . LYS A 148 ? 0.3262 0.4318 0.3282 0.0440 0.0150 0.0046 148 LYS A C 1161 O O . LYS A 148 ? 0.3177 0.4452 0.3364 0.0420 0.0185 0.0021 148 LYS A O 1162 C CB . LYS A 148 ? 0.3702 0.4634 0.3413 0.0545 0.0228 0.0049 148 LYS A CB 1163 C CG . LYS A 148 ? 0.4301 0.5446 0.4086 0.0620 0.0297 0.0004 148 LYS A CG 1164 C CD . LYS A 148 ? 0.5172 0.6225 0.4743 0.0735 0.0315 -0.0023 148 LYS A CD 1165 C CE . LYS A 148 ? 0.5686 0.6958 0.5295 0.0803 0.0428 -0.0052 148 LYS A CE 1166 N NZ . LYS A 148 ? 0.6308 0.7741 0.6027 0.0684 0.0570 -0.0002 148 LYS A NZ 1167 N N . VAL A 149 ? 0.3231 0.4123 0.3190 0.0477 0.0060 0.0035 149 VAL A N 1168 C CA . VAL A 149 ? 0.3133 0.4052 0.3163 0.0522 0.0006 0.0012 149 VAL A CA 1169 C C . VAL A 149 ? 0.3067 0.4048 0.3224 0.0428 -0.0013 0.0033 149 VAL A C 1170 O O . VAL A 149 ? 0.2968 0.4099 0.3227 0.0461 -0.0035 0.0004 149 VAL A O 1171 C CB . VAL A 149 ? 0.3294 0.3960 0.3192 0.0570 -0.0051 0.0000 149 VAL A CB 1172 C CG1 . VAL A 149 ? 0.2921 0.3535 0.2832 0.0613 -0.0091 0.0003 149 VAL A CG1 1173 C CG2 . VAL A 149 ? 0.3425 0.4012 0.3192 0.0671 -0.0038 -0.0043 149 VAL A CG2 1174 N N . LEU A 150 ? 0.2977 0.3846 0.3114 0.0330 -0.0013 0.0074 150 LEU A N 1175 C CA . LEU A 150 ? 0.2874 0.3781 0.3115 0.0244 -0.0026 0.0087 150 LEU A CA 1176 C C . LEU A 150 ? 0.2877 0.4000 0.3265 0.0179 0.0038 0.0067 150 LEU A C 1177 O O . LEU A 150 ? 0.2794 0.4046 0.3315 0.0143 0.0014 0.0031 150 LEU A O 1178 C CB . LEU A 150 ? 0.2884 0.3617 0.3058 0.0175 -0.0038 0.0130 150 LEU A CB 1179 C CG . LEU A 150 ? 0.2848 0.3415 0.2948 0.0200 -0.0098 0.0126 150 LEU A CG 1180 C CD1 . LEU A 150 ? 0.2849 0.3320 0.2905 0.0152 -0.0108 0.0151 150 LEU A CD1 1181 C CD2 . LEU A 150 ? 0.2574 0.3119 0.2717 0.0204 -0.0134 0.0121 150 LEU A CD2 1182 N N . ASN A 151 ? 0.2916 0.4082 0.3280 0.0161 0.0126 0.0079 151 ASN A N 1183 C CA . ASN A 151 ? 0.2977 0.4328 0.3488 0.0065 0.0229 0.0059 151 ASN A CA 1184 C C . ASN A 151 ? 0.2884 0.4548 0.3573 0.0118 0.0234 -0.0026 151 ASN A C 1185 O O . ASN A 151 ? 0.2920 0.4806 0.3800 0.0027 0.0311 -0.0076 151 ASN A O 1186 C CB . ASN A 151 ? 0.3143 0.4390 0.3523 0.0029 0.0352 0.0117 151 ASN A CB 1187 C CG . ASN A 151 ? 0.3369 0.4357 0.3611 -0.0039 0.0369 0.0192 151 ASN A CG 1188 O OD1 . ASN A 151 ? 0.3446 0.4382 0.3753 -0.0100 0.0320 0.0190 151 ASN A OD1 1189 N ND2 . ASN A 151 ? 0.3232 0.4051 0.3262 -0.0010 0.0436 0.0256 151 ASN A ND2 1190 N N . ALA A 152 ? 0.2826 0.4507 0.3456 0.0269 0.0157 -0.0052 152 ALA A N 1191 C CA . ALA A 152 ? 0.2822 0.4810 0.3607 0.0365 0.0136 -0.0142 152 ALA A CA 1192 C C . ALA A 152 ? 0.2675 0.4797 0.3594 0.0362 0.0045 -0.0198 152 ALA A C 1193 O O . ALA A 152 ? 0.2677 0.5122 0.3776 0.0418 0.0019 -0.0296 152 ALA A O 1194 C CB . ALA A 152 ? 0.2862 0.4766 0.3490 0.0553 0.0086 -0.0147 152 ALA A CB 1195 N N . ASP A 153 ? 0.2552 0.4447 0.3383 0.0307 -0.0007 -0.0148 153 ASP A N 1196 C CA . ASP A 153 ? 0.2488 0.4461 0.3383 0.0329 -0.0101 -0.0195 153 ASP A CA 1197 C C . ASP A 153 ? 0.2285 0.4427 0.3388 0.0163 -0.0066 -0.0252 153 ASP A C 1198 O O . ASP A 153 ? 0.2252 0.4194 0.3305 0.0050 -0.0049 -0.0203 153 ASP A O 1199 C CB . ASP A 153 ? 0.2486 0.4131 0.3177 0.0359 -0.0160 -0.0119 153 ASP A CB 1200 C CG . ASP A 153 ? 0.2776 0.4462 0.3474 0.0402 -0.0249 -0.0157 153 ASP A CG 1201 O OD1 . ASP A 153 ? 0.2874 0.4855 0.3740 0.0414 -0.0288 -0.0255 153 ASP A OD1 1202 O OD2 . ASP A 153 ? 0.2948 0.4378 0.3484 0.0423 -0.0277 -0.0096 153 ASP A OD2 1203 N N . GLN A 154 ? 0.2253 0.4768 0.3597 0.0147 -0.0049 -0.0368 154 GLN A N 1204 C CA . GLN A 154 ? 0.2281 0.4992 0.3871 -0.0037 0.0004 -0.0455 154 GLN A CA 1205 C C . GLN A 154 ? 0.2280 0.4929 0.3869 -0.0068 -0.0095 -0.0491 154 GLN A C 1206 O O . GLN A 154 ? 0.2330 0.4854 0.3959 -0.0239 -0.0038 -0.0484 154 GLN A O 1207 C CB . GLN A 154 ? 0.2346 0.5540 0.4237 -0.0030 0.0027 -0.0607 154 GLN A CB 1208 C CG . GLN A 154 ? 0.3053 0.6318 0.4962 -0.0030 0.0163 -0.0576 154 GLN A CG 1209 C CD . GLN A 154 ? 0.3826 0.7607 0.6077 -0.0051 0.0222 -0.0735 154 GLN A CD 1210 O OE1 . GLN A 154 ? 0.4094 0.8235 0.6516 0.0070 0.0104 -0.0873 154 GLN A OE1 1211 N NE2 . GLN A 154 ? 0.4289 0.8113 0.6630 -0.0194 0.0412 -0.0719 154 GLN A NE2 1212 N N . GLY A 155 ? 0.2175 0.4865 0.3674 0.0110 -0.0235 -0.0519 155 GLY A N 1213 C CA . GLY A 155 ? 0.2156 0.4801 0.3618 0.0117 -0.0334 -0.0558 155 GLY A CA 1214 C C . GLY A 155 ? 0.2304 0.4550 0.3583 0.0026 -0.0299 -0.0438 155 GLY A C 1215 O O . GLY A 155 ? 0.2236 0.4448 0.3573 -0.0086 -0.0305 -0.0480 155 GLY A O 1216 N N . THR A 156 ? 0.2360 0.4319 0.3432 0.0075 -0.0262 -0.0306 156 THR A N 1217 C CA . THR A 156 ? 0.2434 0.4063 0.3358 0.0002 -0.0233 -0.0207 156 THR A CA 1218 C C . THR A 156 ? 0.2611 0.4188 0.3625 -0.0176 -0.0131 -0.0198 156 THR A C 1219 O O . THR A 156 ? 0.2723 0.4119 0.3688 -0.0254 -0.0123 -0.0175 156 THR A O 1220 C CB . THR A 156 ? 0.2479 0.3857 0.3200 0.0084 -0.0219 -0.0097 156 THR A CB 1221 O OG1 . THR A 156 ? 0.2629 0.3943 0.3216 0.0229 -0.0289 -0.0088 156 THR A OG1 1222 C CG2 . THR A 156 ? 0.2236 0.3348 0.2856 0.0003 -0.0186 -0.0020 156 THR A CG2 1223 N N . SER A 157 ? 0.2554 0.4258 0.3670 -0.0231 -0.0041 -0.0211 157 SER A N 1224 C CA . SER A 157 ? 0.2701 0.4295 0.3849 -0.0394 0.0084 -0.0184 157 SER A CA 1225 C C . SER A 157 ? 0.2648 0.4334 0.3973 -0.0537 0.0095 -0.0288 157 SER A C 1226 O O . SER A 157 ? 0.2736 0.4180 0.3991 -0.0637 0.0145 -0.0251 157 SER A O 1227 C CB . SER A 157 ? 0.2772 0.4482 0.3977 -0.0423 0.0204 -0.0175 157 SER A CB 1228 O OG . SER A 157 ? 0.2958 0.4603 0.4228 -0.0598 0.0350 -0.0174 157 SER A OG 1229 N N . ALA A 158 ? 0.2551 0.4585 0.4098 -0.0535 0.0040 -0.0429 158 ALA A N 1230 C CA . ALA A 158 ? 0.2731 0.4888 0.4472 -0.0677 0.0036 -0.0563 158 ALA A CA 1231 C C . ALA A 158 ? 0.2790 0.4714 0.4380 -0.0650 -0.0056 -0.0547 158 ALA A C 1232 O O . ALA A 158 ? 0.2960 0.4735 0.4576 -0.0791 -0.0008 -0.0579 158 ALA A O 1233 C CB . ALA A 158 ? 0.2597 0.5238 0.4617 -0.0645 -0.0038 -0.0746 158 ALA A CB 1234 N N . THR A 159 ? 0.2741 0.4598 0.4153 -0.0470 -0.0169 -0.0489 159 THR A N 1235 C CA . THR A 159 ? 0.2737 0.4403 0.4000 -0.0425 -0.0248 -0.0475 159 THR A CA 1236 C C . THR A 159 ? 0.2802 0.4098 0.3906 -0.0493 -0.0171 -0.0357 159 THR A C 1237 O O . THR A 159 ? 0.2912 0.4061 0.3983 -0.0553 -0.0177 -0.0385 159 THR A O 1238 C CB . THR A 159 ? 0.2748 0.4403 0.3838 -0.0220 -0.0350 -0.0425 159 THR A CB 1239 O OG1 . THR A 159 ? 0.2632 0.4610 0.3824 -0.0116 -0.0442 -0.0542 159 THR A OG1 1240 C CG2 . THR A 159 ? 0.2741 0.4164 0.3649 -0.0174 -0.0396 -0.0385 159 THR A CG2 1241 N N . VAL A 160 ? 0.2716 0.3869 0.3713 -0.0468 -0.0106 -0.0238 160 VAL A N 1242 C CA . VAL A 160 ? 0.2833 0.3666 0.3667 -0.0495 -0.0048 -0.0133 160 VAL A CA 1243 C C . VAL A 160 ? 0.3013 0.3725 0.3897 -0.0657 0.0063 -0.0154 160 VAL A C 1244 O O . VAL A 160 ? 0.3191 0.3650 0.3967 -0.0688 0.0082 -0.0127 160 VAL A O 1245 C CB . VAL A 160 ? 0.2808 0.3548 0.3514 -0.0416 -0.0020 -0.0024 160 VAL A CB 1246 C CG1 . VAL A 160 ? 0.2978 0.3427 0.3522 -0.0431 0.0034 0.0063 160 VAL A CG1 1247 C CG2 . VAL A 160 ? 0.2562 0.3332 0.3195 -0.0281 -0.0108 -0.0002 160 VAL A CG2 1248 N N . GLN A 161 ? 0.3047 0.3928 0.4091 -0.0758 0.0147 -0.0207 161 GLN A N 1249 C CA . GLN A 161 ? 0.3324 0.4081 0.4432 -0.0939 0.0281 -0.0240 161 GLN A CA 1250 C C . GLN A 161 ? 0.3427 0.4148 0.4606 -0.1015 0.0230 -0.0351 161 GLN A C 1251 O O . GLN A 161 ? 0.3568 0.3979 0.4645 -0.1102 0.0308 -0.0327 161 GLN A O 1252 C CB . GLN A 161 ? 0.3244 0.4274 0.4579 -0.1052 0.0383 -0.0316 161 GLN A CB 1253 C CG . GLN A 161 ? 0.3359 0.4309 0.4575 -0.1020 0.0497 -0.0197 161 GLN A CG 1254 C CD . GLN A 161 ? 0.3242 0.4522 0.4706 -0.1113 0.0595 -0.0284 161 GLN A CD 1255 O OE1 . GLN A 161 ? 0.3356 0.4676 0.4992 -0.1305 0.0725 -0.0366 161 GLN A OE1 1256 N NE2 . GLN A 161 ? 0.3042 0.4565 0.4538 -0.0981 0.0540 -0.0280 161 GLN A NE2 1257 N N . MET A 162 ? 0.3355 0.4368 0.4671 -0.0959 0.0096 -0.0471 162 MET A N 1258 C CA . MET A 162 ? 0.3587 0.4606 0.4965 -0.1011 0.0027 -0.0599 162 MET A CA 1259 C C . MET A 162 ? 0.3535 0.4232 0.4665 -0.0919 -0.0018 -0.0513 162 MET A C 1260 O O . MET A 162 ? 0.3723 0.4212 0.4816 -0.1001 0.0008 -0.0558 162 MET A O 1261 C CB . MET A 162 ? 0.3525 0.4944 0.5064 -0.0930 -0.0118 -0.0746 162 MET A CB 1262 C CG . MET A 162 ? 0.4293 0.5778 0.5922 -0.0992 -0.0195 -0.0918 162 MET A CG 1263 S SD . MET A 162 ? 0.5339 0.7238 0.7032 -0.0807 -0.0405 -0.1065 162 MET A SD 1264 C CE . MET A 162 ? 0.5075 0.6676 0.6398 -0.0587 -0.0468 -0.0880 162 MET A CE 1265 N N . LEU A 163 ? 0.3411 0.4065 0.4380 -0.0753 -0.0077 -0.0396 163 LEU A N 1266 C CA . LEU A 163 ? 0.3406 0.3819 0.4177 -0.0660 -0.0116 -0.0327 163 LEU A CA 1267 C C . LEU A 163 ? 0.3542 0.3612 0.4180 -0.0714 -0.0016 -0.0245 163 LEU A C 1268 O O . LEU A 163 ? 0.3753 0.3618 0.4302 -0.0718 -0.0021 -0.0266 163 LEU A O 1269 C CB . LEU A 163 ? 0.3254 0.3697 0.3914 -0.0504 -0.0169 -0.0227 163 LEU A CB 1270 C CG . LEU A 163 ? 0.3403 0.4071 0.4087 -0.0397 -0.0270 -0.0279 163 LEU A CG 1271 C CD1 . LEU A 163 ? 0.3411 0.4033 0.3977 -0.0279 -0.0276 -0.0166 163 LEU A CD1 1272 C CD2 . LEU A 163 ? 0.3452 0.4101 0.4081 -0.0360 -0.0341 -0.0358 163 LEU A CD2 1273 N N . LEU A 164 ? 0.3512 0.3504 0.4107 -0.0733 0.0072 -0.0153 164 LEU A N 1274 C CA . LEU A 164 ? 0.3732 0.3375 0.4149 -0.0755 0.0174 -0.0062 164 LEU A CA 1275 C C . LEU A 164 ? 0.4079 0.3539 0.4535 -0.0929 0.0285 -0.0129 164 LEU A C 1276 O O . LEU A 164 ? 0.4354 0.3482 0.4647 -0.0927 0.0323 -0.0104 164 LEU A O 1277 C CB . LEU A 164 ? 0.3777 0.3393 0.4107 -0.0711 0.0238 0.0049 164 LEU A CB 1278 C CG . LEU A 164 ? 0.3638 0.3384 0.3914 -0.0553 0.0144 0.0110 164 LEU A CG 1279 C CD1 . LEU A 164 ? 0.3535 0.3234 0.3706 -0.0514 0.0209 0.0201 164 LEU A CD1 1280 C CD2 . LEU A 164 ? 0.3577 0.3184 0.3724 -0.0438 0.0072 0.0142 164 LEU A CD2 1281 N N . ASN A 165 ? 0.4010 0.3673 0.4685 -0.1082 0.0347 -0.0224 165 ASN A N 1282 C CA . ASN A 165 ? 0.4386 0.3821 0.5090 -0.1276 0.0495 -0.0278 165 ASN A CA 1283 C C . ASN A 165 ? 0.4469 0.3879 0.5258 -0.1350 0.0436 -0.0429 165 ASN A C 1284 O O . ASN A 165 ? 0.4818 0.3893 0.5528 -0.1465 0.0541 -0.0450 165 ASN A O 1285 C CB . ASN A 165 ? 0.4432 0.4088 0.5369 -0.1450 0.0619 -0.0344 165 ASN A CB 1286 C CG . ASN A 165 ? 0.4513 0.4145 0.5338 -0.1393 0.0712 -0.0200 165 ASN A CG 1287 O OD1 . ASN A 165 ? 0.4469 0.3959 0.5057 -0.1215 0.0661 -0.0061 165 ASN A OD1 1288 N ND2 . ASN A 165 ? 0.4506 0.4304 0.5516 -0.1545 0.0850 -0.0248 165 ASN A ND2 1289 N N . ASP A 166 ? 0.4261 0.4001 0.5182 -0.1274 0.0271 -0.0533 166 ASP A N 1290 C CA . ASP A 166 ? 0.4467 0.4287 0.5514 -0.1352 0.0201 -0.0718 166 ASP A CA 1291 C C . ASP A 166 ? 0.4270 0.4048 0.5160 -0.1176 0.0058 -0.0711 166 ASP A C 1292 O O . ASP A 166 ? 0.4440 0.3947 0.5213 -0.1188 0.0062 -0.0747 166 ASP A O 1293 C CB . ASP A 166 ? 0.4392 0.4703 0.5765 -0.1432 0.0138 -0.0897 166 ASP A CB 1294 C CG . ASP A 166 ? 0.4876 0.5286 0.6461 -0.1631 0.0297 -0.0936 166 ASP A CG 1295 O OD1 . ASP A 166 ? 0.5556 0.5625 0.7090 -0.1797 0.0469 -0.0915 166 ASP A OD1 1296 O OD2 . ASP A 166 ? 0.5302 0.6125 0.7096 -0.1617 0.0262 -0.0990 166 ASP A OD2 1297 N N . THR A 167 ? 0.3923 0.3948 0.4799 -0.1012 -0.0053 -0.0664 167 THR A N 1298 C CA . THR A 167 ? 0.3872 0.3901 0.4617 -0.0853 -0.0172 -0.0668 167 THR A CA 1299 C C . THR A 167 ? 0.4002 0.3666 0.4513 -0.0774 -0.0133 -0.0554 167 THR A C 1300 O O . THR A 167 ? 0.4159 0.3707 0.4575 -0.0727 -0.0179 -0.0610 167 THR A O 1301 C CB . THR A 167 ? 0.3601 0.3900 0.4342 -0.0698 -0.0262 -0.0613 167 THR A CB 1302 O OG1 . THR A 167 ? 0.3803 0.4444 0.4753 -0.0745 -0.0298 -0.0719 167 THR A OG1 1303 C CG2 . THR A 167 ? 0.3474 0.3789 0.4082 -0.0552 -0.0363 -0.0636 167 THR A CG2 1304 N N . CYS A 168 ? 0.3973 0.3474 0.4384 -0.0743 -0.0057 -0.0405 168 CYS A N 1305 C CA . CYS A 168 ? 0.4192 0.3413 0.4389 -0.0624 -0.0044 -0.0302 168 CYS A CA 1306 C C . CYS A 168 ? 0.4443 0.3317 0.4528 -0.0681 0.0013 -0.0349 168 CYS A C 1307 O O . CYS A 168 ? 0.4413 0.3197 0.4401 -0.0590 -0.0037 -0.0381 168 CYS A O 1308 C CB . CYS A 168 ? 0.4144 0.3285 0.4246 -0.0556 0.0006 -0.0151 168 CYS A CB 1309 S SG . CYS A 168 ? 0.4450 0.3383 0.4338 -0.0369 -0.0015 -0.0053 168 CYS A SG 1310 N N . PRO A 169 ? 0.4676 0.3345 0.4771 -0.0835 0.0131 -0.0360 169 PRO A N 1311 C CA . PRO A 169 ? 0.5083 0.3355 0.5046 -0.0896 0.0205 -0.0403 169 PRO A CA 1312 C C . PRO A 169 ? 0.5163 0.3507 0.5214 -0.0948 0.0128 -0.0585 169 PRO A C 1313 O O . PRO A 169 ? 0.5369 0.3438 0.5259 -0.0888 0.0123 -0.0613 169 PRO A O 1314 C CB . PRO A 169 ? 0.5341 0.3439 0.5347 -0.1094 0.0366 -0.0398 169 PRO A CB 1315 C CG . PRO A 169 ? 0.5065 0.3426 0.5162 -0.1082 0.0379 -0.0309 169 PRO A CG 1316 C CD . PRO A 169 ? 0.4667 0.3438 0.4882 -0.0957 0.0221 -0.0330 169 PRO A CD 1317 N N . LEU A 170 ? 0.4989 0.3709 0.5281 -0.1039 0.0062 -0.0717 170 LEU A N 1318 C CA . LEU A 170 ? 0.5082 0.3928 0.5447 -0.1056 -0.0038 -0.0902 170 LEU A CA 1319 C C . LEU A 170 ? 0.4890 0.3742 0.5082 -0.0841 -0.0143 -0.0867 170 LEU A C 1320 O O . LEU A 170 ? 0.5046 0.3690 0.5117 -0.0809 -0.0160 -0.0943 170 LEU A O 1321 C CB . LEU A 170 ? 0.4945 0.4256 0.5583 -0.1135 -0.0118 -0.1042 170 LEU A CB 1322 C CG . LEU A 170 ? 0.5349 0.4810 0.6059 -0.1152 -0.0234 -0.1264 170 LEU A CG 1323 C CD1 . LEU A 170 ? 0.5900 0.5074 0.6656 -0.1359 -0.0146 -0.1414 170 LEU A CD1 1324 C CD2 . LEU A 170 ? 0.5568 0.5545 0.6514 -0.1153 -0.0349 -0.1394 170 LEU A CD2 1325 N N . PHE A 171 ? 0.4574 0.3650 0.4753 -0.0701 -0.0196 -0.0756 171 PHE A N 1326 C CA . PHE A 171 ? 0.4434 0.3550 0.4474 -0.0514 -0.0267 -0.0718 171 PHE A CA 1327 C C . PHE A 171 ? 0.4581 0.3350 0.4428 -0.0431 -0.0215 -0.0655 171 PHE A C 1328 O O . PHE A 171 ? 0.4680 0.3357 0.4420 -0.0357 -0.0250 -0.0728 171 PHE A O 1329 C CB . PHE A 171 ? 0.4154 0.3487 0.4210 -0.0411 -0.0288 -0.0589 171 PHE A CB 1330 C CG . PHE A 171 ? 0.4181 0.3567 0.4117 -0.0245 -0.0330 -0.0552 171 PHE A CG 1331 C CD1 . PHE A 171 ? 0.4246 0.3722 0.4126 -0.0187 -0.0399 -0.0658 171 PHE A CD1 1332 C CD2 . PHE A 171 ? 0.4028 0.3394 0.3912 -0.0149 -0.0296 -0.0420 171 PHE A CD2 1333 C CE1 . PHE A 171 ? 0.4377 0.3890 0.4131 -0.0040 -0.0408 -0.0614 171 PHE A CE1 1334 C CE2 . PHE A 171 ? 0.4070 0.3504 0.3875 -0.0022 -0.0308 -0.0394 171 PHE A CE2 1335 C CZ . PHE A 171 ? 0.4303 0.3796 0.4034 0.0029 -0.0352 -0.0481 171 PHE A CZ 1336 N N . VAL A 172 ? 0.4532 0.3111 0.4320 -0.0430 -0.0135 -0.0529 172 VAL A N 1337 C CA . VAL A 172 ? 0.4718 0.2982 0.4307 -0.0313 -0.0093 -0.0457 172 VAL A CA 1338 C C . VAL A 172 ? 0.5123 0.3044 0.4594 -0.0356 -0.0059 -0.0558 172 VAL A C 1339 O O . VAL A 172 ? 0.5304 0.3095 0.4634 -0.0216 -0.0080 -0.0569 172 VAL A O 1340 C CB . VAL A 172 ? 0.4761 0.2887 0.4276 -0.0280 -0.0025 -0.0308 172 VAL A CB 1341 C CG1 . VAL A 172 ? 0.4951 0.2772 0.4239 -0.0110 -0.0004 -0.0244 172 VAL A CG1 1342 C CG2 . VAL A 172 ? 0.4216 0.2675 0.3841 -0.0225 -0.0069 -0.0230 172 VAL A CG2 1343 N N . ARG A 173 ? 0.5306 0.3097 0.4849 -0.0552 -0.0002 -0.0648 173 ARG A N 1344 C CA . ARG A 173 ? 0.5724 0.3169 0.5170 -0.0626 0.0037 -0.0771 173 ARG A CA 1345 C C . ARG A 173 ? 0.5620 0.3193 0.5051 -0.0543 -0.0070 -0.0909 173 ARG A C 1346 O O . ARG A 173 ? 0.5762 0.3035 0.5017 -0.0471 -0.0059 -0.0960 173 ARG A O 1347 C CB . ARG A 173 ? 0.6045 0.3428 0.5650 -0.0893 0.0114 -0.0888 173 ARG A CB 1348 C CG . ARG A 173 ? 0.6684 0.3787 0.6239 -0.1006 0.0275 -0.0770 173 ARG A CG 1349 C CD . ARG A 173 ? 0.8200 0.4684 0.7443 -0.0958 0.0392 -0.0704 173 ARG A CD 1350 N NE . ARG A 173 ? 0.8862 0.5062 0.7958 -0.0974 0.0538 -0.0532 173 ARG A NE 1351 C CZ . ARG A 173 ? 0.9529 0.5256 0.8283 -0.0817 0.0613 -0.0393 173 ARG A CZ 1352 N NH1 . ARG A 173 ? 0.9619 0.5114 0.8167 -0.0632 0.0558 -0.0409 173 ARG A NH1 1353 N NH2 . ARG A 173 ? 0.9594 0.5082 0.8193 -0.0823 0.0743 -0.0238 173 ARG A NH2 1354 N N . GLY A 174 ? 0.5266 0.3265 0.4856 -0.0541 -0.0170 -0.0972 174 GLY A N 1355 C CA . GLY A 174 ? 0.5223 0.3367 0.4765 -0.0441 -0.0271 -0.1090 174 GLY A CA 1356 C C . GLY A 174 ? 0.5217 0.3351 0.4595 -0.0216 -0.0282 -0.0982 174 GLY A C 1357 O O . GLY A 174 ? 0.5343 0.3376 0.4584 -0.0115 -0.0309 -0.1063 174 GLY A O 1358 N N . LEU A 175 ? 0.4927 0.3180 0.4330 -0.0142 -0.0256 -0.0816 175 LEU A N 1359 C CA . LEU A 175 ? 0.4939 0.3211 0.4236 0.0050 -0.0250 -0.0723 175 LEU A CA 1360 C C . LEU A 175 ? 0.5316 0.3221 0.4436 0.0140 -0.0203 -0.0721 175 LEU A C 1361 O O . LEU A 175 ? 0.5365 0.3263 0.4382 0.0295 -0.0213 -0.0741 175 LEU A O 1362 C CB . LEU A 175 ? 0.4606 0.3047 0.3984 0.0088 -0.0229 -0.0570 175 LEU A CB 1363 C CG . LEU A 175 ? 0.4556 0.3349 0.4044 0.0106 -0.0261 -0.0523 175 LEU A CG 1364 C CD1 . LEU A 175 ? 0.4365 0.3231 0.3918 0.0132 -0.0230 -0.0387 175 LEU A CD1 1365 C CD2 . LEU A 175 ? 0.4147 0.3077 0.3565 0.0234 -0.0279 -0.0556 175 LEU A CD2 1366 N N . LEU A 176 ? 0.5616 0.3204 0.4682 0.0056 -0.0140 -0.0694 176 LEU A N 1367 C CA . LEU A 176 ? 0.6056 0.3217 0.4901 0.0158 -0.0087 -0.0682 176 LEU A CA 1368 C C . LEU A 176 ? 0.6348 0.3303 0.5090 0.0151 -0.0101 -0.0843 176 LEU A C 1369 O O . LEU A 176 ? 0.6641 0.3355 0.5196 0.0311 -0.0088 -0.0858 176 LEU A O 1370 C CB . LEU A 176 ? 0.6318 0.3126 0.5082 0.0061 0.0006 -0.0607 176 LEU A CB 1371 C CG . LEU A 176 ? 0.6208 0.3144 0.5020 0.0080 0.0029 -0.0447 176 LEU A CG 1372 C CD1 . LEU A 176 ? 0.6727 0.3288 0.5440 -0.0052 0.0143 -0.0394 176 LEU A CD1 1373 C CD2 . LEU A 176 ? 0.6259 0.3212 0.4952 0.0330 0.0002 -0.0349 176 LEU A CD2 1374 N N . GLU A 177 ? 0.6287 0.3341 0.5148 -0.0023 -0.0132 -0.0979 177 GLU A N 1375 C CA . GLU A 177 ? 0.6612 0.3502 0.5381 -0.0033 -0.0163 -0.1161 177 GLU A CA 1376 C C . GLU A 177 ? 0.6393 0.3555 0.5115 0.0152 -0.0238 -0.1193 177 GLU A C 1377 O O . GLU A 177 ? 0.6655 0.3621 0.5202 0.0289 -0.0233 -0.1245 177 GLU A O 1378 C CB . GLU A 177 ? 0.6653 0.3594 0.5581 -0.0276 -0.0184 -0.1330 177 GLU A CB 1379 C CG . GLU A 177 ? 0.7429 0.4081 0.6253 -0.0331 -0.0195 -0.1540 177 GLU A CG 1380 N N . ALA A 178 ? 0.6043 0.3630 0.4899 0.0168 -0.0291 -0.1149 178 ALA A N 1381 C CA . ALA A 178 ? 0.5923 0.3744 0.4710 0.0332 -0.0333 -0.1168 178 ALA A CA 1382 C C . ALA A 178 ? 0.5875 0.3661 0.4566 0.0532 -0.0279 -0.1060 178 ALA A C 1383 O O . ALA A 178 ? 0.5892 0.3667 0.4454 0.0674 -0.0278 -0.1120 178 ALA A O 1384 C CB . ALA A 178 ? 0.5516 0.3734 0.4429 0.0306 -0.0382 -0.1132 178 ALA A CB 1385 N N . GLY A 179 ? 0.5722 0.3509 0.4482 0.0546 -0.0236 -0.0916 179 GLY A N 1386 C CA . GLY A 179 ? 0.5719 0.3554 0.4446 0.0730 -0.0199 -0.0829 179 GLY A CA 1387 C C . GLY A 179 ? 0.6154 0.3617 0.4707 0.0851 -0.0169 -0.0841 179 GLY A C 1388 O O . GLY A 179 ? 0.6067 0.3582 0.4603 0.1022 -0.0149 -0.0779 179 GLY A O 1389 N N . LYS A 180 ? 0.6586 0.3677 0.5012 0.0767 -0.0163 -0.0932 180 LYS A N 1390 C CA . LYS A 180 ? 0.7220 0.3846 0.5433 0.0865 -0.0119 -0.0935 180 LYS A CA 1391 C C . LYS A 180 ? 0.7357 0.3972 0.5442 0.1138 -0.0114 -0.0941 180 LYS A C 1392 O O . LYS A 180 ? 0.7570 0.4024 0.5556 0.1295 -0.0092 -0.0859 180 LYS A O 1393 C CB . LYS A 180 ? 0.7668 0.3904 0.5767 0.0717 -0.0105 -0.1077 180 LYS A CB 1394 C CG . LYS A 180 ? 0.8535 0.4232 0.6358 0.0841 -0.0054 -0.1114 180 LYS A CG 1395 C CD . LYS A 180 ? 0.9545 0.4805 0.7290 0.0625 -0.0010 -0.1235 180 LYS A CD 1396 C CE . LYS A 180 ? 1.0096 0.4902 0.7713 0.0562 0.0093 -0.1116 180 LYS A CE 1397 N NZ . LYS A 180 ? 1.0636 0.4843 0.7910 0.0734 0.0158 -0.1126 180 LYS A NZ 1398 N N . SER A 181 ? 0.5034 0.4978 0.7493 -0.0425 -0.0436 -0.0389 181 SER A N 1399 C CA . SER A 181 ? 0.5193 0.4856 0.7254 -0.0460 -0.0304 -0.0473 181 SER A CA 1400 C C . SER A 181 ? 0.4921 0.4499 0.6739 -0.0340 -0.0143 -0.0362 181 SER A C 1401 O O . SER A 181 ? 0.4856 0.4308 0.6614 -0.0340 0.0041 -0.0376 181 SER A O 1402 C CB . SER A 181 ? 0.5694 0.5200 0.7325 -0.0563 -0.0467 -0.0640 181 SER A CB 1403 O OG . SER A 181 ? 0.5847 0.5364 0.7133 -0.0514 -0.0636 -0.0557 181 SER A OG 1404 N N . ASP A 182 ? 0.4852 0.4500 0.6589 -0.0237 -0.0222 -0.0255 182 ASP A N 1405 C CA . ASP A 182 ? 0.4681 0.4257 0.6265 -0.0134 -0.0083 -0.0163 182 ASP A CA 1406 C C . ASP A 182 ? 0.4347 0.4071 0.6252 -0.0071 0.0097 -0.0098 182 ASP A C 1407 O O . ASP A 182 ? 0.4217 0.3861 0.6016 -0.0045 0.0248 -0.0068 182 ASP A O 1408 C CB . ASP A 182 ? 0.4826 0.4389 0.6278 -0.0042 -0.0227 -0.0078 182 ASP A CB 1409 C CG . ASP A 182 ? 0.5415 0.4775 0.6393 -0.0106 -0.0352 -0.0073 182 ASP A CG 1410 O OD1 . ASP A 182 ? 0.5840 0.5089 0.6555 -0.0217 -0.0294 -0.0171 182 ASP A OD1 1411 O OD2 . ASP A 182 ? 0.5606 0.4916 0.6476 -0.0047 -0.0503 0.0031 182 ASP A OD2 1412 N N . LEU A 183 ? 0.4200 0.4168 0.6498 -0.0057 0.0080 -0.0069 183 LEU A N 1413 C CA . LEU A 183 ? 0.4002 0.4153 0.6548 -0.0008 0.0260 0.0013 183 LEU A CA 1414 C C . LEU A 183 ? 0.4010 0.4070 0.6596 -0.0090 0.0402 0.0043 183 LEU A C 1415 O O . LEU A 183 ? 0.3918 0.4012 0.6482 -0.0046 0.0544 0.0130 183 LEU A O 1416 C CB . LEU A 183 ? 0.3867 0.4343 0.6854 0.0006 0.0240 0.0042 183 LEU A CB 1417 C CG . LEU A 183 ? 0.3761 0.4362 0.6806 0.0145 0.0143 0.0026 183 LEU A CG 1418 C CD1 . LEU A 183 ? 0.3284 0.4226 0.6830 0.0152 0.0088 0.0027 183 LEU A CD1 1419 C CD2 . LEU A 183 ? 0.3647 0.4260 0.6551 0.0274 0.0289 0.0040 183 LEU A CD2 1420 N N . GLU A 184 ? 0.4225 0.4156 0.6864 -0.0205 0.0343 -0.0038 184 GLU A N 1421 C CA . GLU A 184 ? 0.4404 0.4214 0.7184 -0.0279 0.0456 -0.0024 184 GLU A CA 1422 C C . GLU A 184 ? 0.4520 0.4062 0.7005 -0.0276 0.0503 -0.0114 184 GLU A C 1423 O O . GLU A 184 ? 0.4667 0.4072 0.7299 -0.0321 0.0582 -0.0135 184 GLU A O 1424 C CB . GLU A 184 ? 0.4561 0.4393 0.7691 -0.0412 0.0379 -0.0086 184 GLU A CB 1425 C CG . GLU A 184 ? 0.4636 0.4797 0.8159 -0.0426 0.0370 0.0024 184 GLU A CG 1426 C CD . GLU A 184 ? 0.5149 0.5354 0.9132 -0.0584 0.0326 0.0009 184 GLU A CD 1427 O OE1 . GLU A 184 ? 0.5289 0.5253 0.9256 -0.0684 0.0238 -0.0150 184 GLU A OE1 1428 O OE2 . GLU A 184 ? 0.5302 0.5792 0.9677 -0.0616 0.0389 0.0145 184 GLU A OE2 1429 N N . LYS A 185 ? 0.4681 0.4154 0.6795 -0.0223 0.0463 -0.0159 185 LYS A N 1430 C CA . LYS A 185 ? 0.4834 0.4111 0.6669 -0.0220 0.0539 -0.0233 185 LYS A CA 1431 C C . LYS A 185 ? 0.4731 0.3997 0.6717 -0.0170 0.0693 -0.0138 185 LYS A C 1432 O O . LYS A 185 ? 0.4522 0.3936 0.6625 -0.0112 0.0728 0.0011 185 LYS A O 1433 C CB . LYS A 185 ? 0.4870 0.4116 0.6337 -0.0175 0.0487 -0.0220 185 LYS A CB 1434 N N . GLN A 186 ? 0.4884 0.3990 0.6870 -0.0191 0.0779 -0.0235 186 GLN A N 1435 C CA . GLN A 186 ? 0.4850 0.3936 0.7011 -0.0135 0.0900 -0.0151 186 GLN A CA 1436 C C . GLN A 186 ? 0.4920 0.3932 0.6845 -0.0113 0.0977 -0.0240 186 GLN A C 1437 O O . GLN A 186 ? 0.5127 0.4020 0.6913 -0.0160 0.1016 -0.0423 186 GLN A O 1438 C CB . GLN A 186 ? 0.4916 0.3880 0.7448 -0.0167 0.0949 -0.0182 186 GLN A CB 1439 C CG . GLN A 186 ? 0.4876 0.3924 0.7713 -0.0213 0.0900 -0.0042 186 GLN A CG 1440 C CD . GLN A 186 ? 0.4739 0.3958 0.7694 -0.0153 0.0940 0.0227 186 GLN A CD 1441 O OE1 . GLN A 186 ? 0.4385 0.3612 0.7300 -0.0079 0.0987 0.0305 186 GLN A OE1 1442 N NE2 . GLN A 186 ? 0.4499 0.3882 0.7601 -0.0193 0.0920 0.0369 186 GLN A NE2 1443 N N . GLU A 187 ? 0.4776 0.3880 0.6656 -0.0052 0.1004 -0.0121 187 GLU A N 1444 C CA . GLU A 187 ? 0.4870 0.3944 0.6613 -0.0045 0.1091 -0.0178 187 GLU A CA 1445 C C . GLU A 187 ? 0.4690 0.3836 0.6739 0.0021 0.1156 -0.0078 187 GLU A C 1446 O O . GLU A 187 ? 0.4516 0.3772 0.6682 0.0063 0.1097 0.0082 187 GLU A O 1447 C CB . GLU A 187 ? 0.4892 0.3999 0.6318 -0.0056 0.1028 -0.0133 187 GLU A CB 1448 C CG . GLU A 187 ? 0.5237 0.4266 0.6349 -0.0117 0.0935 -0.0204 187 GLU A CG 1449 N N . LYS A 188 ? 0.4816 0.3922 0.6999 0.0032 0.1278 -0.0176 188 LYS A N 1450 C CA . LYS A 188 ? 0.4697 0.3872 0.7269 0.0108 0.1320 -0.0084 188 LYS A CA 1451 C C . LYS A 188 ? 0.4567 0.3907 0.7120 0.0132 0.1289 0.0034 188 LYS A C 1452 O O . LYS A 188 ? 0.4616 0.3978 0.6944 0.0085 0.1325 -0.0025 188 LYS A O 1453 C CB . LYS A 188 ? 0.4967 0.4056 0.7777 0.0130 0.1475 -0.0266 188 LYS A CB 1454 C CG . LYS A 188 ? 0.5192 0.4089 0.8077 0.0102 0.1493 -0.0425 188 LYS A CG 1455 C CD . LYS A 188 ? 0.5726 0.4533 0.8832 0.0136 0.1670 -0.0669 188 LYS A CD 1456 C CE . LYS A 188 ? 0.6148 0.4729 0.9371 0.0104 0.1670 -0.0864 188 LYS A CE 1457 N NZ . LYS A 188 ? 0.6490 0.4955 1.0132 0.0181 0.1831 -0.1083 188 LYS A NZ 1458 N N . PRO A 189 ? 0.4445 0.3902 0.7237 0.0192 0.1209 0.0213 189 PRO A N 1459 C CA . PRO A 189 ? 0.4326 0.3953 0.7173 0.0210 0.1163 0.0294 189 PRO A CA 1460 C C . PRO A 189 ? 0.4400 0.4082 0.7574 0.0236 0.1283 0.0216 189 PRO A C 1461 O O . PRO A 189 ? 0.4435 0.4040 0.7901 0.0284 0.1382 0.0143 189 PRO A O 1462 C CB . PRO A 189 ? 0.4297 0.4042 0.7307 0.0266 0.1036 0.0506 189 PRO A CB 1463 C CG . PRO A 189 ? 0.4412 0.4031 0.7653 0.0294 0.1070 0.0550 189 PRO A CG 1464 C CD . PRO A 189 ? 0.4411 0.3856 0.7438 0.0233 0.1149 0.0363 189 PRO A CD 1465 N N . VAL A 190 ? 0.4338 0.4153 0.7490 0.0201 0.1281 0.0216 190 VAL A N 1466 C CA . VAL A 190 ? 0.4391 0.4352 0.7920 0.0220 0.1384 0.0175 190 VAL A CA 1467 C C . VAL A 190 ? 0.4249 0.4417 0.7946 0.0235 0.1205 0.0336 190 VAL A C 1468 O O . VAL A 190 ? 0.4265 0.4441 0.7646 0.0178 0.1078 0.0378 190 VAL A O 1469 C CB . VAL A 190 ? 0.4537 0.4488 0.7851 0.0117 0.1545 0.0036 190 VAL A CB 1470 C CG1 . VAL A 190 ? 0.4511 0.4693 0.8231 0.0110 0.1641 0.0029 190 VAL A CG1 1471 C CG2 . VAL A 190 ? 0.4750 0.4531 0.7876 0.0099 0.1718 -0.0142 190 VAL A CG2 1472 N N . ALA A 191 ? 0.4137 0.4470 0.8342 0.0318 0.1181 0.0412 191 ALA A N 1473 C CA . ALA A 191 ? 0.4020 0.4578 0.8410 0.0336 0.0969 0.0575 191 ALA A CA 1474 C C . ALA A 191 ? 0.3994 0.4790 0.8817 0.0319 0.1013 0.0537 191 ALA A C 1475 O O . ALA A 191 ? 0.4037 0.4857 0.9173 0.0345 0.1226 0.0419 191 ALA A O 1476 C CB . ALA A 191 ? 0.4059 0.4647 0.8716 0.0449 0.0838 0.0767 191 ALA A CB 1477 N N . TRP A 192 ? 0.3911 0.4904 0.8769 0.0268 0.0820 0.0617 192 TRP A N 1478 C CA . TRP A 192 ? 0.3856 0.5142 0.9260 0.0255 0.0811 0.0618 192 TRP A CA 1479 C C . TRP A 192 ? 0.3916 0.5434 0.9426 0.0246 0.0493 0.0762 192 TRP A C 1480 O O . TRP A 192 ? 0.3998 0.5439 0.9029 0.0207 0.0316 0.0804 192 TRP A O 1481 C CB . TRP A 192 ? 0.3825 0.5121 0.9177 0.0115 0.1006 0.0469 192 TRP A CB 1482 C CG . TRP A 192 ? 0.3797 0.4992 0.8689 -0.0027 0.0892 0.0446 192 TRP A CG 1483 C CD1 . TRP A 192 ? 0.3786 0.5152 0.8824 -0.0133 0.0733 0.0460 192 TRP A CD1 1484 C CD2 . TRP A 192 ? 0.3717 0.4606 0.7989 -0.0075 0.0918 0.0392 192 TRP A CD2 1485 N NE1 . TRP A 192 ? 0.3842 0.4992 0.8389 -0.0239 0.0666 0.0405 192 TRP A NE1 1486 C CE2 . TRP A 192 ? 0.3688 0.4555 0.7774 -0.0196 0.0778 0.0372 192 TRP A CE2 1487 C CE3 . TRP A 192 ? 0.3759 0.4398 0.7662 -0.0028 0.1028 0.0351 192 TRP A CE3 1488 C CZ2 . TRP A 192 ? 0.3746 0.4342 0.7319 -0.0248 0.0755 0.0320 192 TRP A CZ2 1489 C CZ3 . TRP A 192 ? 0.3724 0.4133 0.7110 -0.0090 0.0993 0.0312 192 TRP A CZ3 1490 C CH2 . TRP A 192 ? 0.3713 0.4099 0.6953 -0.0187 0.0863 0.0301 192 TRP A CH2 1491 N N . LEU A 193 ? 0.3892 0.5719 1.0035 0.0280 0.0420 0.0820 193 LEU A N 1492 C CA . LEU A 193 ? 0.3981 0.6073 1.0289 0.0282 0.0081 0.0969 193 LEU A CA 1493 C C . LEU A 193 ? 0.4005 0.6331 1.0525 0.0135 -0.0003 0.0885 193 LEU A C 1494 O O . LEU A 193 ? 0.3961 0.6340 1.0768 0.0063 0.0227 0.0765 193 LEU A O 1495 C CB . LEU A 193 ? 0.4060 0.6354 1.1015 0.0449 -0.0020 0.1150 193 LEU A CB 1496 C CG . LEU A 193 ? 0.4073 0.6120 1.0994 0.0595 0.0075 0.1244 193 LEU A CG 1497 C CD1 . LEU A 193 ? 0.4200 0.6440 1.1874 0.0765 -0.0048 0.1436 193 LEU A CD1 1498 C CD2 . LEU A 193 ? 0.4000 0.5847 1.0211 0.0567 -0.0065 0.1357 193 LEU A CD2 1499 N N . SER A 194 ? 0.4157 0.6637 1.0539 0.0079 -0.0335 0.0948 194 SER A N 1500 C CA . SER A 194 ? 0.4209 0.6928 1.0848 -0.0072 -0.0489 0.0870 194 SER A CA 1501 C C . SER A 194 ? 0.4441 0.7377 1.0971 -0.0084 -0.0913 0.0966 194 SER A C 1502 O O . SER A 194 ? 0.4489 0.7370 1.0659 0.0016 -0.1052 0.1105 194 SER A O 1503 C CB . SER A 194 ? 0.4237 0.6697 1.0443 -0.0241 -0.0353 0.0683 194 SER A CB 1504 O OG . SER A 194 ? 0.4237 0.6411 0.9700 -0.0234 -0.0425 0.0642 194 SER A OG 1505 N N . SER A 195 ? 0.4591 0.7783 1.1420 -0.0222 -0.1120 0.0897 195 SER A N 1506 C CA . SER A 195 ? 0.4966 0.8417 1.1721 -0.0247 -0.1555 0.0968 195 SER A CA 1507 C C . SER A 195 ? 0.5208 0.8741 1.1922 -0.0460 -0.1759 0.0770 195 SER A C 1508 O O . SER A 195 ? 0.5141 0.8701 1.2275 -0.0590 -0.1614 0.0655 195 SER A O 1509 C CB . SER A 195 ? 0.4962 0.8818 1.2456 -0.0126 -0.1745 0.1193 195 SER A CB 1510 O OG . SER A 195 ? 0.4908 0.9043 1.3235 -0.0191 -0.1663 0.1135 195 SER A OG 1511 N N . VAL A 196 ? 0.5624 0.9196 1.1827 -0.0502 -0.2090 0.0728 196 VAL A N 1512 C CA . VAL A 196 ? 0.5985 0.9655 1.2147 -0.0701 -0.2367 0.0515 196 VAL A CA 1513 C C . VAL A 196 ? 0.6426 1.0472 1.2537 -0.0702 -0.2846 0.0601 196 VAL A C 1514 O O . VAL A 196 ? 0.6509 1.0681 1.2488 -0.0545 -0.2946 0.0849 196 VAL A O 1515 C CB . VAL A 196 ? 0.6104 0.9355 1.1524 -0.0789 -0.2277 0.0254 196 VAL A CB 1516 C CG1 . VAL A 196 ? 0.5828 0.8763 1.1415 -0.0859 -0.1905 0.0158 196 VAL A CG1 1517 C CG2 . VAL A 196 ? 0.6235 0.9303 1.0862 -0.0647 -0.2239 0.0305 196 VAL A CG2 1518 N N . PRO A 197 ? 0.6777 1.1000 1.2996 -0.0890 -0.3162 0.0407 197 PRO A N 1519 C CA . PRO A 197 ? 0.7268 1.1836 1.3280 -0.0908 -0.3651 0.0456 197 PRO A CA 1520 C C . PRO A 197 ? 0.7684 1.2042 1.2624 -0.0895 -0.3739 0.0326 197 PRO A C 1521 O O . PRO A 197 ? 0.8110 1.2728 1.2669 -0.0868 -0.4080 0.0432 197 PRO A O 1522 C CB . PRO A 197 ? 0.7457 1.2252 1.3981 -0.1137 -0.3927 0.0240 197 PRO A CB 1523 C CG . PRO A 197 ? 0.7256 1.1644 1.3798 -0.1265 -0.3589 -0.0008 197 PRO A CG 1524 C CD . PRO A 197 ? 0.6735 1.0876 1.3337 -0.1104 -0.3107 0.0163 197 PRO A CD 1525 N N . ARG A 204 ? 0.7832 1.3300 1.4039 -0.0333 -0.4378 0.1742 204 ARG A N 1526 C CA . ARG A 204 ? 0.7373 1.2432 1.3666 -0.0318 -0.3844 0.1559 204 ARG A CA 1527 C C . ARG A 204 ? 0.7315 1.1954 1.2811 -0.0225 -0.3530 0.1594 204 ARG A C 1528 O O . ARG A 204 ? 0.7663 1.2333 1.2626 -0.0151 -0.3674 0.1821 204 ARG A O 1529 C CB . ARG A 204 ? 0.6947 1.2114 1.4297 -0.0209 -0.3628 0.1685 204 ARG A CB 1530 N N . GLN A 205 ? 0.6921 1.1190 1.2353 -0.0242 -0.3106 0.1386 205 GLN A N 1531 C CA . GLN A 205 ? 0.6795 1.0678 1.1541 -0.0176 -0.2804 0.1373 205 GLN A CA 1532 C C . GLN A 205 ? 0.6259 0.9845 1.1348 -0.0099 -0.2353 0.1350 205 GLN A C 1533 O O . GLN A 205 ? 0.6027 0.9496 1.1374 -0.0189 -0.2159 0.1129 205 GLN A O 1534 C CB . GLN A 205 ? 0.7034 1.0735 1.1007 -0.0307 -0.2811 0.1051 205 GLN A CB 1535 C CG . GLN A 205 ? 0.7066 1.0390 1.0430 -0.0245 -0.2474 0.0995 205 GLN A CG 1536 C CD . GLN A 205 ? 0.7698 1.0945 1.0238 -0.0322 -0.2553 0.0752 205 GLN A CD 1537 O OE1 . GLN A 205 ? 0.8220 1.1727 1.0374 -0.0358 -0.2865 0.0782 205 GLN A OE1 1538 N NE2 . GLN A 205 ? 0.7404 1.0306 0.9666 -0.0340 -0.2274 0.0505 205 GLN A NE2 1539 N N . LEU A 206 ? 0.6076 0.9534 1.1138 0.0054 -0.2199 0.1584 206 LEU A N 1540 C CA . LEU A 206 ? 0.5603 0.8797 1.0973 0.0138 -0.1804 0.1567 206 LEU A CA 1541 C C . LEU A 206 ? 0.5454 0.8263 1.0153 0.0117 -0.1527 0.1419 206 LEU A C 1542 O O . LEU A 206 ? 0.5661 0.8408 0.9728 0.0120 -0.1598 0.1471 206 LEU A O 1543 C CB . LEU A 206 ? 0.5559 0.8806 1.1394 0.0316 -0.1800 0.1877 206 LEU A CB 1544 C CG . LEU A 206 ? 0.5517 0.9077 1.2318 0.0394 -0.1909 0.1989 206 LEU A CG 1545 C CD1 . LEU A 206 ? 0.5611 0.9577 1.2622 0.0294 -0.2299 0.1986 206 LEU A CD1 1546 C CD2 . LEU A 206 ? 0.5594 0.9163 1.2777 0.0587 -0.1967 0.2322 206 LEU A CD2 1547 N N . VAL A 207 ? 0.5084 0.7666 0.9935 0.0093 -0.1213 0.1242 207 VAL A N 1548 C CA . VAL A 207 ? 0.4900 0.7132 0.9213 0.0075 -0.0964 0.1101 207 VAL A CA 1549 C C . VAL A 207 ? 0.4660 0.6691 0.9209 0.0171 -0.0662 0.1150 207 VAL A C 1550 O O . VAL A 207 ? 0.4496 0.6571 0.9583 0.0187 -0.0519 0.1116 207 VAL A O 1551 C CB . VAL A 207 ? 0.4856 0.6947 0.9019 -0.0066 -0.0884 0.0824 207 VAL A CB 1552 C CG1 . VAL A 207 ? 0.4673 0.6429 0.8255 -0.0066 -0.0695 0.0701 207 VAL A CG1 1553 C CG2 . VAL A 207 ? 0.5094 0.7387 0.9173 -0.0179 -0.1196 0.0722 207 VAL A CG2 1554 N N . CYS A 208 ? 0.4648 0.6474 0.8795 0.0229 -0.0561 0.1216 208 CYS A N 1555 C CA . CYS A 208 ? 0.4477 0.6063 0.8739 0.0292 -0.0282 0.1200 208 CYS A CA 1556 C C . CYS A 208 ? 0.4341 0.5657 0.8103 0.0223 -0.0104 0.1003 208 CYS A C 1557 O O . CYS A 208 ? 0.4376 0.5621 0.7652 0.0215 -0.0145 0.1007 208 CYS A O 1558 C CB . CYS A 208 ? 0.4595 0.6142 0.8887 0.0400 -0.0310 0.1441 208 CYS A CB 1559 S SG . CYS A 208 ? 0.4648 0.5884 0.9121 0.0467 0.0002 0.1387 208 CYS A SG 1560 N N . HIS A 209 ? 0.4148 0.5342 0.8055 0.0176 0.0093 0.0843 209 HIS A N 1561 C CA . HIS A 209 ? 0.4013 0.4955 0.7522 0.0110 0.0241 0.0680 209 HIS A CA 1562 C C . HIS A 209 ? 0.3953 0.4686 0.7386 0.0170 0.0438 0.0681 209 HIS A C 1563 O O . HIS A 209 ? 0.3960 0.4683 0.7741 0.0214 0.0577 0.0684 209 HIS A O 1564 C CB . HIS A 209 ? 0.3928 0.4856 0.7612 0.0007 0.0341 0.0550 209 HIS A CB 1565 C CG . HIS A 209 ? 0.4036 0.5180 0.7935 -0.0074 0.0152 0.0534 209 HIS A CG 1566 N ND1 . HIS A 209 ? 0.3996 0.5058 0.7630 -0.0182 0.0046 0.0416 209 HIS A ND1 1567 C CD2 . HIS A 209 ? 0.3918 0.5357 0.8319 -0.0067 0.0035 0.0611 209 HIS A CD2 1568 C CE1 . HIS A 209 ? 0.4148 0.5440 0.8087 -0.0254 -0.0133 0.0409 209 HIS A CE1 1569 N NE2 . HIS A 209 ? 0.4001 0.5545 0.8409 -0.0187 -0.0148 0.0536 209 HIS A NE2 1570 N N . VAL A 210 ? 0.3987 0.4563 0.6989 0.0168 0.0453 0.0653 210 VAL A N 1571 C CA . VAL A 210 ? 0.3882 0.4268 0.6805 0.0203 0.0607 0.0641 210 VAL A CA 1572 C C . VAL A 210 ? 0.3889 0.4089 0.6446 0.0143 0.0676 0.0497 210 VAL A C 1573 O O . VAL A 210 ? 0.3904 0.4096 0.6161 0.0129 0.0586 0.0465 210 VAL A O 1574 C CB . VAL A 210 ? 0.3915 0.4330 0.6759 0.0264 0.0541 0.0802 210 VAL A CB 1575 C CG1 . VAL A 210 ? 0.3910 0.4134 0.6791 0.0285 0.0685 0.0788 210 VAL A CG1 1576 C CG2 . VAL A 210 ? 0.3975 0.4583 0.7148 0.0321 0.0410 0.0997 210 VAL A CG2 1577 N N . SER A 211 ? 0.3783 0.3839 0.6361 0.0113 0.0833 0.0405 211 SER A N 1578 C CA . SER A 211 ? 0.3769 0.3658 0.6028 0.0049 0.0868 0.0305 211 SER A CA 1579 C C . SER A 211 ? 0.3805 0.3532 0.5956 0.0041 0.1001 0.0240 211 SER A C 1580 O O . SER A 211 ? 0.3830 0.3561 0.6185 0.0051 0.1126 0.0205 211 SER A O 1581 C CB . SER A 211 ? 0.3787 0.3693 0.6109 -0.0039 0.0881 0.0263 211 SER A CB 1582 O OG . SER A 211 ? 0.3970 0.3689 0.5996 -0.0102 0.0883 0.0211 211 SER A OG 1583 N N . GLY A 212 ? 0.3777 0.3371 0.5622 0.0025 0.0964 0.0205 212 GLY A N 1584 C CA . GLY A 212 ? 0.3873 0.3321 0.5555 -0.0002 0.1043 0.0136 212 GLY A CA 1585 C C . GLY A 212 ? 0.3834 0.3262 0.5547 0.0044 0.1030 0.0139 212 GLY A C 1586 O O . GLY A 212 ? 0.3955 0.3274 0.5568 0.0014 0.1076 0.0060 212 GLY A O 1587 N N . PHE A 213 ? 0.3771 0.3311 0.5610 0.0100 0.0964 0.0235 213 PHE A N 1588 C CA . PHE A 213 ? 0.3750 0.3289 0.5675 0.0124 0.0962 0.0278 213 PHE A CA 1589 C C . PHE A 213 ? 0.3829 0.3368 0.5564 0.0120 0.0902 0.0262 213 PHE A C 1590 O O . PHE A 213 ? 0.3788 0.3374 0.5362 0.0139 0.0840 0.0255 213 PHE A O 1591 C CB . PHE A 213 ? 0.3733 0.3403 0.5894 0.0172 0.0937 0.0435 213 PHE A CB 1592 C CG . PHE A 213 ? 0.3760 0.3600 0.5791 0.0197 0.0844 0.0523 213 PHE A CG 1593 C CD1 . PHE A 213 ? 0.3808 0.3731 0.5861 0.0200 0.0791 0.0523 213 PHE A CD1 1594 C CD2 . PHE A 213 ? 0.3744 0.3688 0.5646 0.0209 0.0816 0.0588 213 PHE A CD2 1595 C CE1 . PHE A 213 ? 0.3684 0.3759 0.5587 0.0212 0.0686 0.0563 213 PHE A CE1 1596 C CE2 . PHE A 213 ? 0.3649 0.3762 0.5378 0.0232 0.0746 0.0625 213 PHE A CE2 1597 C CZ . PHE A 213 ? 0.3879 0.4044 0.5590 0.0232 0.0669 0.0603 213 PHE A CZ 1598 N N . TYR A 214 ? 0.3926 0.3414 0.5730 0.0098 0.0917 0.0239 214 TYR A N 1599 C CA . TYR A 214 ? 0.3993 0.3544 0.5745 0.0099 0.0864 0.0244 214 TYR A CA 1600 C C . TYR A 214 ? 0.4057 0.3609 0.6051 0.0064 0.0893 0.0285 214 TYR A C 1601 O O . TYR A 214 ? 0.4176 0.3589 0.6278 0.0028 0.0930 0.0216 214 TYR A O 1602 C CB . TYR A 214 ? 0.4042 0.3492 0.5585 0.0076 0.0800 0.0135 214 TYR A CB 1603 C CG . TYR A 214 ? 0.4109 0.3671 0.5672 0.0109 0.0732 0.0145 214 TYR A CG 1604 C CD1 . TYR A 214 ? 0.4277 0.3889 0.6000 0.0073 0.0708 0.0135 214 TYR A CD1 1605 C CD2 . TYR A 214 ? 0.3831 0.3470 0.5313 0.0177 0.0697 0.0148 214 TYR A CD2 1606 C CE1 . TYR A 214 ? 0.4260 0.4038 0.6092 0.0109 0.0661 0.0146 214 TYR A CE1 1607 C CE2 . TYR A 214 ? 0.4151 0.3928 0.5717 0.0230 0.0661 0.0133 214 TYR A CE2 1608 C CZ . TYR A 214 ? 0.4222 0.4089 0.5978 0.0197 0.0649 0.0142 214 TYR A CZ 1609 O OH . TYR A 214 ? 0.4197 0.4251 0.6114 0.0251 0.0629 0.0128 214 TYR A OH 1610 N N . PRO A 215 ? 0.4081 0.3794 0.6184 0.0069 0.0891 0.0389 215 PRO A N 1611 C CA . PRO A 215 ? 0.4038 0.3952 0.6026 0.0121 0.0883 0.0437 215 PRO A CA 1612 C C . PRO A 215 ? 0.4078 0.4104 0.5994 0.0161 0.0903 0.0549 215 PRO A C 1613 O O . PRO A 215 ? 0.4127 0.4091 0.6136 0.0155 0.0910 0.0625 215 PRO A O 1614 C CB . PRO A 215 ? 0.4039 0.4110 0.6233 0.0086 0.0915 0.0511 215 PRO A CB 1615 C CG . PRO A 215 ? 0.4017 0.3978 0.6465 0.0016 0.0946 0.0594 215 PRO A CG 1616 C CD . PRO A 215 ? 0.4071 0.3780 0.6461 0.0009 0.0918 0.0453 215 PRO A CD 1617 N N . LYS A 216 ? 0.4187 0.4391 0.5953 0.0206 0.0904 0.0544 216 LYS A N 1618 C CA . LYS A 216 ? 0.4343 0.4682 0.5943 0.0241 0.0892 0.0599 216 LYS A CA 1619 C C . LYS A 216 ? 0.4462 0.4918 0.6134 0.0218 0.0911 0.0824 216 LYS A C 1620 O O . LYS A 216 ? 0.4592 0.5062 0.6198 0.0233 0.0848 0.0872 216 LYS A O 1621 C CB . LYS A 216 ? 0.4460 0.4980 0.5888 0.0295 0.0914 0.0503 216 LYS A CB 1622 C CG . LYS A 216 ? 0.4670 0.5203 0.5862 0.0338 0.0848 0.0388 216 LYS A CG 1623 C CD . LYS A 216 ? 0.4955 0.5661 0.6020 0.0403 0.0896 0.0252 216 LYS A CD 1624 C CE . LYS A 216 ? 0.5147 0.5823 0.5996 0.0444 0.0819 0.0076 216 LYS A CE 1625 N NZ . LYS A 216 ? 0.5503 0.6442 0.6162 0.0500 0.0898 -0.0029 216 LYS A NZ 1626 N N . PRO A 217 ? 0.4503 0.5047 0.6339 0.0175 0.0983 0.0985 217 PRO A N 1627 C CA . PRO A 217 ? 0.4650 0.5284 0.6541 0.0152 0.0979 0.1249 217 PRO A CA 1628 C C . PRO A 217 ? 0.4637 0.5081 0.6722 0.0166 0.0902 0.1305 217 PRO A C 1629 O O . PRO A 217 ? 0.4520 0.4742 0.6823 0.0158 0.0913 0.1198 217 PRO A O 1630 C CB . PRO A 217 ? 0.4719 0.5401 0.6850 0.0079 0.1071 0.1412 217 PRO A CB 1631 C CG . PRO A 217 ? 0.4561 0.5359 0.6639 0.0082 0.1137 0.1234 217 PRO A CG 1632 C CD . PRO A 217 ? 0.4405 0.5008 0.6400 0.0136 0.1057 0.0971 217 PRO A CD 1633 N N . VAL A 218 ? 0.4768 0.5323 0.6776 0.0191 0.0823 0.1459 218 VAL A N 1634 C CA . VAL A 218 ? 0.4720 0.5158 0.6953 0.0227 0.0739 0.1495 218 VAL A CA 1635 C C . VAL A 218 ? 0.4916 0.5529 0.7127 0.0242 0.0630 0.1776 218 VAL A C 1636 O O . VAL A 218 ? 0.5076 0.5919 0.6947 0.0223 0.0606 0.1868 218 VAL A O 1637 C CB . VAL A 218 ? 0.4588 0.4968 0.6720 0.0253 0.0702 0.1237 218 VAL A CB 1638 C CG1 . VAL A 218 ? 0.4836 0.5413 0.6658 0.0264 0.0605 0.1211 218 VAL A CG1 1639 C CG2 . VAL A 218 ? 0.4363 0.4606 0.6834 0.0281 0.0688 0.1213 218 VAL A CG2 1640 N N . TRP A 219 ? 0.4931 0.5446 0.7506 0.0280 0.0561 0.1908 219 TRP A N 1641 C CA . TRP A 219 ? 0.5130 0.5798 0.7750 0.0303 0.0415 0.2212 219 TRP A CA 1642 C C . TRP A 219 ? 0.5048 0.5723 0.7925 0.0371 0.0293 0.2150 219 TRP A C 1643 O O . TRP A 219 ? 0.4912 0.5402 0.8210 0.0416 0.0346 0.2051 219 TRP A O 1644 C CB . TRP A 219 ? 0.5274 0.5822 0.8225 0.0289 0.0438 0.2518 219 TRP A CB 1645 C CG . TRP A 219 ? 0.5661 0.6354 0.8642 0.0301 0.0281 0.2921 219 TRP A CG 1646 C CD1 . TRP A 219 ? 0.6001 0.6892 0.8649 0.0232 0.0267 0.3221 219 TRP A CD1 1647 C CD2 . TRP A 219 ? 0.5788 0.6448 0.9178 0.0386 0.0115 0.3101 219 TRP A CD2 1648 N NE1 . TRP A 219 ? 0.6288 0.7258 0.9058 0.0261 0.0080 0.3598 219 TRP A NE1 1649 C CE2 . TRP A 219 ? 0.6272 0.7099 0.9533 0.0365 -0.0029 0.3534 219 TRP A CE2 1650 C CE3 . TRP A 219 ? 0.5618 0.6149 0.9488 0.0482 0.0081 0.2944 219 TRP A CE3 1651 C CZ2 . TRP A 219 ? 0.6435 0.7288 1.0057 0.0445 -0.0246 0.3829 219 TRP A CZ2 1652 C CZ3 . TRP A 219 ? 0.5807 0.6384 1.0087 0.0570 -0.0104 0.3206 219 TRP A CZ3 1653 C CH2 . TRP A 219 ? 0.6331 0.7056 1.0499 0.0556 -0.0284 0.3653 219 TRP A CH2 1654 N N . VAL A 220 ? 0.5105 0.6016 0.7737 0.0373 0.0137 0.2179 220 VAL A N 1655 C CA . VAL A 220 ? 0.5001 0.5974 0.7926 0.0423 0.0009 0.2126 220 VAL A CA 1656 C C . VAL A 220 ? 0.5323 0.6549 0.8213 0.0440 -0.0235 0.2419 220 VAL A C 1657 O O . VAL A 220 ? 0.5551 0.6984 0.7939 0.0389 -0.0329 0.2452 220 VAL A O 1658 C CB . VAL A 220 ? 0.4791 0.5790 0.7519 0.0388 0.0030 0.1792 220 VAL A CB 1659 C CG1 . VAL A 220 ? 0.4607 0.5701 0.7725 0.0419 -0.0082 0.1750 220 VAL A CG1 1660 C CG2 . VAL A 220 ? 0.4548 0.5305 0.7254 0.0366 0.0244 0.1542 220 VAL A CG2 1661 N N . MET A 221 ? 0.5387 0.6606 0.8814 0.0518 -0.0344 0.2620 221 MET A N 1662 C CA . MET A 221 ? 0.5757 0.7213 0.9208 0.0544 -0.0615 0.2954 221 MET A CA 1663 C C . MET A 221 ? 0.5681 0.7222 0.9755 0.0634 -0.0762 0.2962 221 MET A C 1664 O O . MET A 221 ? 0.5452 0.6805 1.0088 0.0709 -0.0626 0.2862 221 MET A O 1665 C CB . MET A 221 ? 0.6099 0.7466 0.9631 0.0557 -0.0629 0.3362 221 MET A CB 1666 C CG . MET A 221 ? 0.6709 0.8349 0.9855 0.0520 -0.0869 0.3739 221 MET A CG 1667 S SD . MET A 221 ? 0.7381 0.9276 0.9570 0.0395 -0.0831 0.3539 221 MET A SD 1668 C CE . MET A 221 ? 0.7323 0.9021 0.9312 0.0330 -0.0503 0.3545 221 MET A CE 1669 N N . TRP A 222 ? 0.5877 0.7724 0.9865 0.0625 -0.1039 0.3063 222 TRP A N 1670 C CA . TRP A 222 ? 0.5930 0.7927 1.0591 0.0720 -0.1230 0.3164 222 TRP A CA 1671 C C . TRP A 222 ? 0.6283 0.8261 1.1308 0.0817 -0.1394 0.3624 222 TRP A C 1672 O O . TRP A 222 ? 0.6642 0.8665 1.1216 0.0770 -0.1502 0.3931 222 TRP A O 1673 C CB . TRP A 222 ? 0.6025 0.8373 1.0513 0.0660 -0.1499 0.3088 222 TRP A CB 1674 C CG . TRP A 222 ? 0.5603 0.7941 1.0061 0.0588 -0.1358 0.2656 222 TRP A CG 1675 C CD1 . TRP A 222 ? 0.5500 0.7795 0.9332 0.0473 -0.1271 0.2384 222 TRP A CD1 1676 C CD2 . TRP A 222 ? 0.5249 0.7623 1.0362 0.0622 -0.1282 0.2466 222 TRP A CD2 1677 N NE1 . TRP A 222 ? 0.5201 0.7468 0.9250 0.0426 -0.1165 0.2068 222 TRP A NE1 1678 C CE2 . TRP A 222 ? 0.5162 0.7496 0.9972 0.0505 -0.1157 0.2115 222 TRP A CE2 1679 C CE3 . TRP A 222 ? 0.5153 0.7601 1.1110 0.0744 -0.1293 0.2558 222 TRP A CE3 1680 C CZ2 . TRP A 222 ? 0.4811 0.7183 1.0092 0.0482 -0.1036 0.1887 222 TRP A CZ2 1681 C CZ3 . TRP A 222 ? 0.4847 0.7368 1.1285 0.0733 -0.1151 0.2293 222 TRP A CZ3 1682 C CH2 . TRP A 222 ? 0.4797 0.7284 1.0873 0.0591 -0.1022 0.1978 222 TRP A CH2 1683 N N . MET A 223 ? 0.6243 0.8151 1.2102 0.0953 -0.1396 0.3674 223 MET A N 1684 C CA . MET A 223 ? 0.6563 0.8371 1.2934 0.1073 -0.1533 0.4096 223 MET A CA 1685 C C . MET A 223 ? 0.6627 0.8653 1.3811 0.1215 -0.1759 0.4194 223 MET A C 1686 O O . MET A 223 ? 0.6315 0.8406 1.3942 0.1258 -0.1631 0.3863 223 MET A O 1687 C CB . MET A 223 ? 0.6430 0.7813 1.3192 0.1134 -0.1236 0.4013 223 MET A CB 1688 C CG . MET A 223 ? 0.6247 0.7396 1.2425 0.1008 -0.0936 0.3760 223 MET A CG 1689 S SD . MET A 223 ? 0.6726 0.7790 1.2321 0.0900 -0.0972 0.4160 223 MET A SD 1690 C CE . MET A 223 ? 0.6928 0.7685 1.3336 0.1025 -0.1039 0.4569 223 MET A CE 1691 N N . ARG A 224 ? 0.7057 0.9210 1.4458 0.1287 -0.2091 0.4668 224 ARG A N 1692 C CA . ARG A 224 ? 0.7169 0.9440 1.5562 0.1475 -0.2291 0.4842 224 ARG A CA 1693 C C . ARG A 224 ? 0.7369 0.9238 1.6284 0.1601 -0.2205 0.5109 224 ARG A C 1694 O O . ARG A 224 ? 0.7766 0.9555 1.6482 0.1587 -0.2401 0.5589 224 ARG A O 1695 C CB . ARG A 224 ? 0.7566 1.0261 1.5905 0.1476 -0.2777 0.5210 224 ARG A CB 1696 C CG . ARG A 224 ? 0.7768 1.0652 1.7207 0.1683 -0.3035 0.5412 224 ARG A CG 1697 C CD . ARG A 224 ? 0.8123 1.1493 1.7448 0.1656 -0.3548 0.5716 224 ARG A CD 1698 N NE . ARG A 224 ? 0.8022 1.1676 1.6623 0.1463 -0.3572 0.5377 224 ARG A NE 1699 C CZ . ARG A 224 ? 0.7648 1.1551 1.6623 0.1442 -0.3530 0.4991 224 ARG A CZ 1700 N NH1 . ARG A 224 ? 0.7353 1.1314 1.7411 0.1607 -0.3444 0.4885 224 ARG A NH1 1701 N NH2 . ARG A 224 ? 0.7481 1.1579 1.5772 0.1253 -0.3565 0.4706 224 ARG A NH2 1702 N N . GLY A 225 ? 0.7081 0.8686 1.6631 0.1708 -0.1900 0.4787 225 GLY A N 1703 C CA . GLY A 225 ? 0.7241 0.8389 1.7266 0.1807 -0.1758 0.4916 225 GLY A CA 1704 C C . GLY A 225 ? 0.7306 0.8172 1.6545 0.1633 -0.1599 0.4981 225 GLY A C 1705 O O . GLY A 225 ? 0.6959 0.7743 1.5677 0.1509 -0.1313 0.4583 225 GLY A O 1706 N N . ASP A 226 ? 0.7747 0.8491 1.6914 0.1617 -0.1795 0.5507 226 ASP A N 1707 C CA . ASP A 226 ? 0.7892 0.8407 1.6403 0.1446 -0.1651 0.5641 226 ASP A CA 1708 C C . ASP A 226 ? 0.8112 0.8952 1.5673 0.1280 -0.1835 0.5944 226 ASP A C 1709 O O . ASP A 226 ? 0.8232 0.8964 1.5213 0.1128 -0.1707 0.6074 226 ASP A O 1710 C CB . ASP A 226 ? 0.8314 0.8385 1.7422 0.1509 -0.1648 0.5986 226 ASP A CB 1711 C CG . ASP A 226 ? 0.8125 0.7768 1.7617 0.1528 -0.1294 0.5547 226 ASP A CG 1712 N N . GLN A 227 ? 0.8171 0.9428 1.5581 0.1303 -0.2126 0.6033 227 GLN A N 1713 C CA . GLN A 227 ? 0.8439 1.0036 1.4899 0.1148 -0.2307 0.6248 227 GLN A CA 1714 C C . GLN A 227 ? 0.8008 0.9791 1.3775 0.1024 -0.2121 0.5719 227 GLN A C 1715 O O . GLN A 227 ? 0.7681 0.9648 1.3653 0.1068 -0.2158 0.5373 227 GLN A O 1716 C CB . GLN A 227 ? 0.8878 1.0830 1.5476 0.1218 -0.2774 0.6652 227 GLN A CB 1717 N N . GLU A 228 ? 0.7958 0.9691 1.2969 0.0870 -0.1915 0.5667 228 GLU A N 1718 C CA . GLU A 228 ? 0.7638 0.9521 1.1972 0.0757 -0.1749 0.5204 228 GLU A CA 1719 C C . GLU A 228 ? 0.7857 1.0172 1.1690 0.0708 -0.2047 0.5211 228 GLU A C 1720 O O . GLU A 228 ? 0.8370 1.0903 1.1859 0.0672 -0.2312 0.5636 228 GLU A O 1721 C CB . GLU A 228 ? 0.7685 0.9457 1.1391 0.0620 -0.1479 0.5188 228 GLU A CB 1722 C CG . GLU A 228 ? 0.7545 0.8899 1.1724 0.0638 -0.1219 0.5209 228 GLU A CG 1723 C CD . GLU A 228 ? 0.7540 0.8830 1.1180 0.0494 -0.0948 0.5155 228 GLU A CD 1724 O OE1 . GLU A 228 ? 0.7289 0.8256 1.1301 0.0482 -0.0757 0.5174 228 GLU A OE1 1725 O OE2 . GLU A 228 ? 0.7548 0.9118 1.0440 0.0395 -0.0925 0.5073 228 GLU A OE2 1726 N N . GLN A 229 ? 0.7415 0.9848 1.1209 0.0696 -0.2015 0.4748 229 GLN A N 1727 C CA . GLN A 229 ? 0.7626 1.0443 1.0989 0.0633 -0.2296 0.4665 229 GLN A CA 1728 C C . GLN A 229 ? 0.7799 1.0723 1.0176 0.0486 -0.2184 0.4481 229 GLN A C 1729 O O . GLN A 229 ? 0.7468 1.0258 0.9643 0.0441 -0.1915 0.4056 229 GLN A O 1730 C CB . GLN A 229 ? 0.7183 1.0085 1.1048 0.0673 -0.2335 0.4282 229 GLN A CB 1731 C CG . GLN A 229 ? 0.7104 1.0022 1.1962 0.0828 -0.2488 0.4468 229 GLN A CG 1732 C CD . GLN A 229 ? 0.7584 1.0747 1.2534 0.0877 -0.2907 0.4990 229 GLN A CD 1733 O OE1 . GLN A 229 ? 0.7812 1.0805 1.3034 0.0958 -0.2936 0.5401 229 GLN A OE1 1734 N NE2 . GLN A 229 ? 0.7784 1.1340 1.2495 0.0818 -0.3254 0.4986 229 GLN A NE2 1735 N N . GLN A 230 ? 0.8396 1.1574 1.0174 0.0419 -0.2398 0.4811 230 GLN A N 1736 C CA . GLN A 230 ? 0.8700 1.2025 0.9515 0.0290 -0.2283 0.4699 230 GLN A CA 1737 C C . GLN A 230 ? 0.8533 1.1986 0.8949 0.0226 -0.2271 0.4144 230 GLN A C 1738 O O . GLN A 230 ? 0.8529 1.1973 0.8351 0.0154 -0.2037 0.3882 230 GLN A O 1739 C CB . GLN A 230 ? 0.9463 1.3091 0.9714 0.0229 -0.2557 0.5190 230 GLN A CB 1740 N N . GLY A 231 ? 0.8401 1.1969 0.9204 0.0252 -0.2519 0.3970 231 GLY A N 1741 C CA . GLY A 231 ? 0.8316 1.1980 0.8855 0.0179 -0.2556 0.3460 231 GLY A CA 1742 C C . GLY A 231 ? 0.7752 1.1109 0.8515 0.0185 -0.2212 0.3012 231 GLY A C 1743 O O . GLY A 231 ? 0.7694 1.1070 0.8206 0.0117 -0.2205 0.2596 231 GLY A O 1744 N N . THR A 232 ? 0.7357 1.0420 0.8598 0.0262 -0.1946 0.3099 232 THR A N 1745 C CA . THR A 232 ? 0.6912 0.9681 0.8304 0.0265 -0.1620 0.2734 232 THR A CA 1746 C C . THR A 232 ? 0.7111 0.9885 0.7788 0.0185 -0.1479 0.2416 232 THR A C 1747 O O . THR A 232 ? 0.7431 1.0322 0.7539 0.0152 -0.1437 0.2545 232 THR A O 1748 C CB . THR A 232 ? 0.6594 0.9068 0.8369 0.0336 -0.1352 0.2901 232 THR A CB 1749 O OG1 . THR A 232 ? 0.6572 0.9025 0.9061 0.0429 -0.1476 0.3156 232 THR A OG1 1750 C CG2 . THR A 232 ? 0.6010 0.8207 0.7923 0.0334 -0.1058 0.2535 232 THR A CG2 1751 N N . HIS A 233 ? 0.6957 0.9617 0.7692 0.0155 -0.1410 0.2006 233 HIS A N 1752 C CA . HIS A 233 ? 0.7193 0.9806 0.7382 0.0105 -0.1271 0.1663 233 HIS A CA 1753 C C . HIS A 233 ? 0.6716 0.8999 0.7193 0.0132 -0.0990 0.1437 233 HIS A C 1754 O O . HIS A 233 ? 0.6443 0.8600 0.7311 0.0120 -0.1001 0.1259 233 HIS A O 1755 C CB . HIS A 233 ? 0.7549 1.0329 0.7477 0.0027 -0.1514 0.1372 233 HIS A CB 1756 C CG . HIS A 233 ? 0.8112 1.0884 0.7416 -0.0009 -0.1406 0.1031 233 HIS A CG 1757 N ND1 . HIS A 233 ? 0.8006 1.0502 0.7355 0.0008 -0.1160 0.0722 233 HIS A ND1 1758 C CD2 . HIS A 233 ? 0.8927 1.1943 0.7560 -0.0054 -0.1511 0.0936 233 HIS A CD2 1759 C CE1 . HIS A 233 ? 0.8402 1.0962 0.7202 -0.0008 -0.1112 0.0446 233 HIS A CE1 1760 N NE2 . HIS A 233 ? 0.8992 1.1872 0.7328 -0.0049 -0.1307 0.0549 233 HIS A NE2 1761 N N . ARG A 234 ? 0.6715 0.8883 0.7006 0.0158 -0.0743 0.1473 234 ARG A N 1762 C CA . ARG A 234 ? 0.6378 0.8262 0.6824 0.0180 -0.0491 0.1260 234 ARG A CA 1763 C C . ARG A 234 ? 0.6384 0.8222 0.6519 0.0150 -0.0475 0.0868 234 ARG A C 1764 O O . ARG A 234 ? 0.6761 0.8764 0.6403 0.0137 -0.0487 0.0764 234 ARG A O 1765 C CB . ARG A 234 ? 0.6416 0.8256 0.6771 0.0206 -0.0276 0.1438 234 ARG A CB 1766 C CG . ARG A 234 ? 0.6581 0.8231 0.6894 0.0221 -0.0037 0.1206 234 ARG A CG 1767 C CD . ARG A 234 ? 0.7114 0.8881 0.7179 0.0219 0.0133 0.1351 234 ARG A CD 1768 N NE . ARG A 234 ? 0.7152 0.8714 0.7558 0.0233 0.0310 0.1414 234 ARG A NE 1769 C CZ . ARG A 234 ? 0.7266 0.8715 0.8050 0.0234 0.0309 0.1668 234 ARG A CZ 1770 N NH1 . ARG A 234 ? 0.7506 0.9033 0.8418 0.0238 0.0142 0.1916 234 ARG A NH1 1771 N NH2 . ARG A 234 ? 0.7097 0.8354 0.8160 0.0234 0.0459 0.1666 234 ARG A NH2 1772 N N . GLY A 235 ? 0.6041 0.7657 0.6470 0.0137 -0.0446 0.0654 235 GLY A N 1773 C CA . GLY A 235 ? 0.6022 0.7503 0.6260 0.0117 -0.0416 0.0299 235 GLY A CA 1774 C C . GLY A 235 ? 0.5869 0.7194 0.5993 0.0173 -0.0177 0.0208 235 GLY A C 1775 O O . GLY A 235 ? 0.5783 0.7140 0.5925 0.0209 -0.0040 0.0410 235 GLY A O 1776 N N . ASP A 236 ? 0.5836 0.6989 0.5890 0.0179 -0.0141 -0.0088 236 ASP A N 1777 C CA . ASP A 236 ? 0.5619 0.6639 0.5638 0.0245 0.0057 -0.0175 236 ASP A CA 1778 C C . ASP A 236 ? 0.5174 0.5956 0.5554 0.0248 0.0155 -0.0066 236 ASP A C 1779 O O . ASP A 236 ? 0.4972 0.5644 0.5611 0.0197 0.0090 -0.0014 236 ASP A O 1780 C CB . ASP A 236 ? 0.5846 0.6748 0.5716 0.0272 0.0046 -0.0526 236 ASP A CB 1781 C CG . ASP A 236 ? 0.6517 0.7667 0.5962 0.0274 -0.0021 -0.0699 236 ASP A CG 1782 O OD1 . ASP A 236 ? 0.6782 0.8224 0.5973 0.0271 0.0001 -0.0514 236 ASP A OD1 1783 O OD2 . ASP A 236 ? 0.6862 0.7909 0.6215 0.0273 -0.0099 -0.1022 236 ASP A OD2 1784 N N . PHE A 237 ? 0.4974 0.5708 0.5369 0.0300 0.0313 -0.0037 237 PHE A N 1785 C CA . PHE A 237 ? 0.4615 0.5112 0.5269 0.0299 0.0389 0.0000 237 PHE A CA 1786 C C . PHE A 237 ? 0.4558 0.4810 0.5254 0.0295 0.0344 -0.0207 237 PHE A C 1787 O O . PHE A 237 ? 0.4703 0.4929 0.5269 0.0345 0.0336 -0.0406 237 PHE A O 1788 C CB . PHE A 237 ? 0.4566 0.5099 0.5244 0.0344 0.0533 0.0071 237 PHE A CB 1789 C CG . PHE A 237 ? 0.4794 0.5489 0.5532 0.0325 0.0586 0.0323 237 PHE A CG 1790 C CD1 . PHE A 237 ? 0.4662 0.5232 0.5663 0.0295 0.0606 0.0469 237 PHE A CD1 1791 C CD2 . PHE A 237 ? 0.5289 0.6251 0.5819 0.0334 0.0624 0.0415 237 PHE A CD2 1792 C CE1 . PHE A 237 ? 0.4943 0.5610 0.6062 0.0281 0.0643 0.0703 237 PHE A CE1 1793 C CE2 . PHE A 237 ? 0.5469 0.6549 0.6080 0.0304 0.0663 0.0697 237 PHE A CE2 1794 C CZ . PHE A 237 ? 0.5104 0.6013 0.6042 0.0281 0.0664 0.0840 237 PHE A CZ 1795 N N . LEU A 238 ? 0.4262 0.4333 0.5155 0.0234 0.0323 -0.0157 238 LEU A N 1796 C CA . LEU A 238 ? 0.4257 0.4075 0.5208 0.0202 0.0273 -0.0288 238 LEU A CA 1797 C C . LEU A 238 ? 0.4010 0.3639 0.5057 0.0194 0.0356 -0.0202 238 LEU A C 1798 O O . LEU A 238 ? 0.3889 0.3557 0.5027 0.0164 0.0425 -0.0066 238 LEU A O 1799 C CB . LEU A 238 ? 0.4249 0.4049 0.5325 0.0102 0.0165 -0.0306 238 LEU A CB 1800 C CG . LEU A 238 ? 0.4329 0.4359 0.5327 0.0082 0.0036 -0.0363 238 LEU A CG 1801 C CD1 . LEU A 238 ? 0.4293 0.4283 0.5508 -0.0033 -0.0085 -0.0399 238 LEU A CD1 1802 C CD2 . LEU A 238 ? 0.4594 0.4680 0.5315 0.0146 -0.0005 -0.0571 238 LEU A CD2 1803 N N . PRO A 239 ? 0.4036 0.3464 0.5063 0.0227 0.0340 -0.0288 239 PRO A N 1804 C CA . PRO A 239 ? 0.3944 0.3221 0.5003 0.0215 0.0388 -0.0193 239 PRO A CA 1805 C C . PRO A 239 ? 0.4017 0.3126 0.5131 0.0102 0.0389 -0.0114 239 PRO A C 1806 O O . PRO A 239 ? 0.4116 0.3118 0.5288 0.0040 0.0323 -0.0159 239 PRO A O 1807 C CB . PRO A 239 ? 0.4042 0.3173 0.5095 0.0298 0.0335 -0.0293 239 PRO A CB 1808 C CG . PRO A 239 ? 0.4276 0.3352 0.5334 0.0311 0.0252 -0.0464 239 PRO A CG 1809 C CD . PRO A 239 ? 0.4218 0.3562 0.5199 0.0292 0.0271 -0.0481 239 PRO A CD 1810 N N . ASN A 240 ? 0.3953 0.3048 0.5051 0.0066 0.0472 -0.0010 240 ASN A N 1811 C CA . ASN A 240 ? 0.4192 0.3121 0.5265 -0.0035 0.0504 0.0064 240 ASN A CA 1812 C C . ASN A 240 ? 0.4478 0.3193 0.5423 -0.0019 0.0440 0.0095 240 ASN A C 1813 O O . ASN A 240 ? 0.4538 0.3281 0.5465 0.0078 0.0395 0.0057 240 ASN A O 1814 C CB . ASN A 240 ? 0.4042 0.3077 0.5137 -0.0079 0.0637 0.0123 240 ASN A CB 1815 C CG . ASN A 240 ? 0.3982 0.3202 0.5282 -0.0099 0.0679 0.0126 240 ASN A CG 1816 O OD1 . ASN A 240 ? 0.4121 0.3354 0.5529 -0.0151 0.0628 0.0113 240 ASN A OD1 1817 N ND2 . ASN A 240 ? 0.3834 0.3195 0.5233 -0.0060 0.0755 0.0147 240 ASN A ND2 1818 N N . ALA A 241 ? 0.4772 0.3294 0.5650 -0.0119 0.0432 0.0186 241 ALA A N 1819 C CA . ALA A 241 ? 0.5107 0.3410 0.5859 -0.0111 0.0337 0.0268 241 ALA A CA 1820 C C . ALA A 241 ? 0.5215 0.3563 0.5780 -0.0104 0.0356 0.0320 241 ALA A C 1821 O O . ALA A 241 ? 0.5479 0.3698 0.5956 -0.0072 0.0238 0.0385 241 ALA A O 1822 C CB . ALA A 241 ? 0.5266 0.3342 0.5984 -0.0242 0.0319 0.0397 241 ALA A CB 1823 N N . ASP A 242 ? 0.5222 0.3744 0.5755 -0.0132 0.0486 0.0284 242 ASP A N 1824 C CA . ASP A 242 ? 0.5411 0.3969 0.5776 -0.0142 0.0499 0.0286 242 ASP A CA 1825 C C . ASP A 242 ? 0.5254 0.3974 0.5773 -0.0038 0.0477 0.0198 242 ASP A C 1826 O O . ASP A 242 ? 0.5310 0.4106 0.5796 -0.0056 0.0522 0.0157 242 ASP A O 1827 C CB . ASP A 242 ? 0.5430 0.4048 0.5684 -0.0245 0.0671 0.0274 242 ASP A CB 1828 C CG . ASP A 242 ? 0.5274 0.4068 0.5787 -0.0215 0.0796 0.0194 242 ASP A CG 1829 O OD1 . ASP A 242 ? 0.4865 0.3734 0.5578 -0.0140 0.0743 0.0175 242 ASP A OD1 1830 O OD2 . ASP A 242 ? 0.5376 0.4240 0.5893 -0.0262 0.0944 0.0149 242 ASP A OD2 1831 N N . GLU A 243 ? 0.5161 0.3936 0.5855 0.0059 0.0418 0.0158 243 GLU A N 1832 C CA . GLU A 243 ? 0.4931 0.3896 0.5783 0.0146 0.0423 0.0099 243 GLU A CA 1833 C C . GLU A 243 ? 0.4701 0.3821 0.5640 0.0121 0.0548 0.0086 243 GLU A C 1834 O O . GLU A 243 ? 0.4674 0.3905 0.5712 0.0136 0.0568 0.0078 243 GLU A O 1835 C CB . GLU A 243 ? 0.5099 0.4064 0.5962 0.0185 0.0311 0.0108 243 GLU A CB 1836 C CG . GLU A 243 ? 0.5436 0.4258 0.6326 0.0255 0.0167 0.0131 243 GLU A CG 1837 C CD . GLU A 243 ? 0.5905 0.4819 0.6970 0.0351 0.0047 0.0120 243 GLU A CD 1838 O OE1 . GLU A 243 ? 0.5678 0.4641 0.6962 0.0477 0.0013 0.0054 243 GLU A OE1 1839 O OE2 . GLU A 243 ? 0.5747 0.4695 0.6749 0.0299 -0.0016 0.0159 243 GLU A OE2 1840 N N . THR A 244 ? 0.4491 0.3614 0.5445 0.0080 0.0622 0.0098 244 THR A N 1841 C CA . THR A 244 ? 0.4217 0.3490 0.5326 0.0089 0.0706 0.0110 244 THR A CA 1842 C C . THR A 244 ? 0.4163 0.3539 0.5329 0.0128 0.0673 0.0111 244 THR A C 1843 O O . THR A 244 ? 0.4101 0.3412 0.5202 0.0144 0.0600 0.0066 244 THR A O 1844 C CB . THR A 244 ? 0.4279 0.3524 0.5430 0.0023 0.0812 0.0111 244 THR A CB 1845 O OG1 . THR A 244 ? 0.4055 0.3250 0.5174 -0.0028 0.0824 0.0122 244 THR A OG1 1846 C CG2 . THR A 244 ? 0.4306 0.3450 0.5334 -0.0026 0.0850 0.0063 244 THR A CG2 1847 N N . TRP A 245 ? 0.4090 0.3617 0.5386 0.0141 0.0712 0.0160 245 TRP A N 1848 C CA . TRP A 245 ? 0.4195 0.3867 0.5499 0.0173 0.0660 0.0169 245 TRP A CA 1849 C C . TRP A 245 ? 0.4180 0.3916 0.5622 0.0135 0.0652 0.0210 245 TRP A C 1850 O O . TRP A 245 ? 0.4132 0.3861 0.5738 0.0112 0.0726 0.0257 245 TRP A O 1851 C CB . TRP A 245 ? 0.4113 0.3965 0.5436 0.0223 0.0681 0.0238 245 TRP A CB 1852 C CG . TRP A 245 ? 0.4261 0.4133 0.5505 0.0268 0.0685 0.0179 245 TRP A CG 1853 C CD1 . TRP A 245 ? 0.4320 0.4197 0.5644 0.0270 0.0728 0.0204 245 TRP A CD1 1854 C CD2 . TRP A 245 ? 0.4400 0.4304 0.5527 0.0322 0.0641 0.0062 245 TRP A CD2 1855 N NE1 . TRP A 245 ? 0.4314 0.4258 0.5608 0.0327 0.0716 0.0130 245 TRP A NE1 1856 C CE2 . TRP A 245 ? 0.4538 0.4490 0.5711 0.0371 0.0673 0.0033 245 TRP A CE2 1857 C CE3 . TRP A 245 ? 0.4468 0.4367 0.5490 0.0335 0.0572 -0.0043 245 TRP A CE3 1858 C CZ2 . TRP A 245 ? 0.4604 0.4609 0.5747 0.0454 0.0660 -0.0100 245 TRP A CZ2 1859 C CZ3 . TRP A 245 ? 0.4696 0.4606 0.5648 0.0409 0.0554 -0.0196 245 TRP A CZ3 1860 C CH2 . TRP A 245 ? 0.4840 0.4806 0.5865 0.0478 0.0607 -0.0224 245 TRP A CH2 1861 N N . TYR A 246 ? 0.4189 0.4000 0.5592 0.0131 0.0559 0.0171 246 TYR A N 1862 C CA . TYR A 246 ? 0.4237 0.4169 0.5809 0.0096 0.0508 0.0211 246 TYR A CA 1863 C C . TYR A 246 ? 0.4331 0.4480 0.5831 0.0137 0.0408 0.0256 246 TYR A C 1864 O O . TYR A 246 ? 0.4484 0.4664 0.5753 0.0166 0.0365 0.0171 246 TYR A O 1865 C CB . TYR A 246 ? 0.4324 0.4152 0.5915 0.0019 0.0452 0.0118 246 TYR A CB 1866 C CG . TYR A 246 ? 0.4480 0.4465 0.6302 -0.0035 0.0373 0.0140 246 TYR A CG 1867 C CD1 . TYR A 246 ? 0.4548 0.4566 0.6655 -0.0091 0.0460 0.0195 246 TYR A CD1 1868 C CD2 . TYR A 246 ? 0.4578 0.4708 0.6341 -0.0034 0.0212 0.0090 246 TYR A CD2 1869 C CE1 . TYR A 246 ? 0.4845 0.5054 0.7252 -0.0141 0.0379 0.0217 246 TYR A CE1 1870 C CE2 . TYR A 246 ? 0.4960 0.5263 0.6966 -0.0093 0.0100 0.0110 246 TYR A CE2 1871 C CZ . TYR A 246 ? 0.4872 0.5220 0.7234 -0.0145 0.0179 0.0182 246 TYR A CZ 1872 O OH . TYR A 246 ? 0.5168 0.5730 0.7843 -0.0201 0.0058 0.0202 246 TYR A OH 1873 N N . LEU A 247 ? 0.4286 0.4597 0.5985 0.0141 0.0368 0.0387 247 LEU A N 1874 C CA . LEU A 247 ? 0.4520 0.5060 0.6126 0.0165 0.0241 0.0474 247 LEU A CA 1875 C C . LEU A 247 ? 0.4578 0.5271 0.6490 0.0147 0.0133 0.0574 247 LEU A C 1876 O O . LEU A 247 ? 0.4519 0.5180 0.6775 0.0160 0.0212 0.0651 247 LEU A O 1877 C CB . LEU A 247 ? 0.4551 0.5159 0.6090 0.0217 0.0305 0.0639 247 LEU A CB 1878 C CG . LEU A 247 ? 0.4995 0.5850 0.6342 0.0234 0.0201 0.0786 247 LEU A CG 1879 C CD1 . LEU A 247 ? 0.5390 0.6323 0.6327 0.0232 0.0182 0.0618 247 LEU A CD1 1880 C CD2 . LEU A 247 ? 0.4985 0.5871 0.6406 0.0261 0.0282 0.1022 247 LEU A CD2 1881 N N . GLN A 248 ? 0.4741 0.5618 0.6552 0.0121 -0.0052 0.0556 248 GLN A N 1882 C CA . GLN A 248 ? 0.4777 0.5870 0.6900 0.0115 -0.0205 0.0692 248 GLN A CA 1883 C C . GLN A 248 ? 0.4984 0.6319 0.6916 0.0150 -0.0372 0.0877 248 GLN A C 1884 O O . GLN A 248 ? 0.5181 0.6565 0.6655 0.0147 -0.0396 0.0828 248 GLN A O 1885 C CB . GLN A 248 ? 0.4813 0.5954 0.7130 0.0026 -0.0319 0.0545 248 GLN A CB 1886 C CG . GLN A 248 ? 0.5278 0.6404 0.7245 -0.0036 -0.0446 0.0336 248 GLN A CG 1887 C CD . GLN A 248 ? 0.5834 0.6962 0.8076 -0.0150 -0.0551 0.0197 248 GLN A CD 1888 O OE1 . GLN A 248 ? 0.5779 0.6725 0.8240 -0.0203 -0.0412 0.0142 248 GLN A OE1 1889 N NE2 . GLN A 248 ? 0.5969 0.7315 0.8194 -0.0204 -0.0804 0.0148 248 GLN A NE2 1890 N N . ALA A 249 ? 0.4900 0.6392 0.7195 0.0187 -0.0476 0.1099 249 ALA A N 1891 C CA . ALA A 249 ? 0.5144 0.6880 0.7299 0.0211 -0.0680 0.1337 249 ALA A CA 1892 C C . ALA A 249 ? 0.5184 0.7162 0.7686 0.0193 -0.0933 0.1397 249 ALA A C 1893 O O . ALA A 249 ? 0.5033 0.7019 0.8119 0.0232 -0.0909 0.1459 249 ALA A O 1894 C CB . ALA A 249 ? 0.5142 0.6825 0.7459 0.0289 -0.0595 0.1630 249 ALA A CB 1895 N N . THR A 250 ? 0.5472 0.7669 0.7628 0.0136 -0.1176 0.1361 250 THR A N 1896 C CA . THR A 250 ? 0.5536 0.8008 0.8000 0.0100 -0.1474 0.1404 250 THR A CA 1897 C C . THR A 250 ? 0.5817 0.8556 0.8285 0.0154 -0.1726 0.1767 250 THR A C 1898 O O . THR A 250 ? 0.6030 0.8781 0.8029 0.0176 -0.1713 0.1944 250 THR A O 1899 C CB . THR A 250 ? 0.5766 0.8317 0.7899 -0.0020 -0.1640 0.1098 250 THR A CB 1900 O OG1 . THR A 250 ? 0.6125 0.8771 0.7545 -0.0036 -0.1729 0.1082 250 THR A OG1 1901 C CG2 . THR A 250 ? 0.5437 0.7686 0.7587 -0.0074 -0.1408 0.0781 250 THR A CG2 1902 N N . LEU A 251 ? 0.5791 0.8756 0.8822 0.0173 -0.1955 0.1899 251 LEU A N 1903 C CA . LEU A 251 ? 0.6156 0.9403 0.9230 0.0221 -0.2270 0.2259 251 LEU A CA 1904 C C . LEU A 251 ? 0.6417 1.0004 0.9707 0.0147 -0.2637 0.2191 251 LEU A C 1905 O O . LEU A 251 ? 0.6105 0.9759 1.0087 0.0144 -0.2644 0.2090 251 LEU A O 1906 C CB . LEU A 251 ? 0.5930 0.9112 0.9663 0.0365 -0.2202 0.2584 251 LEU A CB 1907 C CG . LEU A 251 ? 0.6220 0.9623 1.0028 0.0437 -0.2513 0.3043 251 LEU A CG 1908 C CD1 . LEU A 251 ? 0.6421 0.9801 0.9410 0.0398 -0.2518 0.3242 251 LEU A CD1 1909 C CD2 . LEU A 251 ? 0.5763 0.9061 1.0406 0.0596 -0.2445 0.3302 251 LEU A CD2 1910 N N . ASP A 252 ? 0.6986 1.0807 0.9674 0.0075 -0.2933 0.2232 252 ASP A N 1911 C CA . ASP A 252 ? 0.7355 1.1517 1.0161 -0.0018 -0.3331 0.2142 252 ASP A CA 1912 C C . ASP A 252 ? 0.7631 1.2102 1.0964 0.0072 -0.3660 0.2569 252 ASP A C 1913 O O . ASP A 252 ? 0.8092 1.2689 1.1018 0.0110 -0.3844 0.2909 252 ASP A O 1914 C CB . ASP A 252 ? 0.7864 1.2139 0.9741 -0.0140 -0.3509 0.1943 252 ASP A CB 1915 N N . VAL A 253 ? 0.7417 1.2017 1.1683 0.0110 -0.3723 0.2569 253 VAL A N 1916 C CA . VAL A 253 ? 0.7629 1.2499 1.2603 0.0238 -0.3996 0.2973 253 VAL A CA 1917 C C . VAL A 253 ? 0.7836 1.3150 1.3359 0.0170 -0.4417 0.2931 253 VAL A C 1918 O O . VAL A 253 ? 0.7747 1.3116 1.3326 0.0023 -0.4420 0.2560 253 VAL A O 1919 C CB . VAL A 253 ? 0.7155 1.1805 1.2952 0.0408 -0.3661 0.3089 253 VAL A CB 1920 C CG1 . VAL A 253 ? 0.6936 1.1139 1.2245 0.0442 -0.3237 0.3049 253 VAL A CG1 1921 C CG2 . VAL A 253 ? 0.6717 1.1421 1.3301 0.0381 -0.3493 0.2791 253 VAL A CG2 1922 N N . GLU A 254 ? 0.8211 1.3842 1.4181 0.0271 -0.4789 0.3328 254 GLU A N 1923 C CA . GLU A 254 ? 0.8372 1.4466 1.5076 0.0234 -0.5192 0.3329 254 GLU A CA 1924 C C . GLU A 254 ? 0.7840 1.3952 1.5725 0.0326 -0.4933 0.3232 254 GLU A C 1925 O O . GLU A 254 ? 0.7550 1.3434 1.5867 0.0503 -0.4624 0.3384 254 GLU A O 1927 N N . ALA A 255 ? 0.7765 1.4155 1.6165 0.0194 -0.5046 0.2961 255 ALA A N 1928 C CA . ALA A 255 ? 0.7311 1.3817 1.6851 0.0250 -0.4805 0.2854 255 ALA A CA 1929 C C . ALA A 255 ? 0.7350 1.4119 1.7872 0.0490 -0.4960 0.3239 255 ALA A C 1930 O O . ALA A 255 ? 0.7738 1.4853 1.8385 0.0535 -0.5470 0.3545 255 ALA A O 1931 C CB . ALA A 255 ? 0.7283 1.4111 1.7205 0.0034 -0.4978 0.2551 255 ALA A CB 1932 N N . GLY A 256 ? 0.6966 1.3558 1.8162 0.0649 -0.4524 0.3217 256 GLY A N 1933 C CA . GLY A 256 ? 0.6994 1.3755 1.9194 0.0910 -0.4589 0.3534 256 GLY A CA 1934 C C . GLY A 256 ? 0.7093 1.3423 1.8970 0.1099 -0.4423 0.3804 256 GLY A C 1935 O O . GLY A 256 ? 0.7072 1.3398 1.9792 0.1332 -0.4354 0.4003 256 GLY A O 1936 N N . GLU A 257 ? 0.7207 1.3174 1.7912 0.0998 -0.4353 0.3800 257 GLU A N 1937 C CA . GLU A 257 ? 0.7338 1.2912 1.7658 0.1134 -0.4235 0.4088 257 GLU A CA 1938 C C . GLU A 257 ? 0.6927 1.1991 1.6898 0.1127 -0.3656 0.3815 257 GLU A C 1939 O O . GLU A 257 ? 0.7021 1.1724 1.6455 0.1169 -0.3529 0.3978 257 GLU A O 1940 C CB . GLU A 257 ? 0.7875 1.3465 1.7163 0.1038 -0.4595 0.4360 257 GLU A CB 1941 C CG . GLU A 257 ? 0.8469 1.4513 1.8077 0.1091 -0.5207 0.4769 257 GLU A CG 1942 C CD . GLU A 257 ? 0.9097 1.5113 1.7678 0.1030 -0.5510 0.5130 257 GLU A CD 1943 O OE1 . GLU A 257 ? 0.8999 1.4732 1.6551 0.0901 -0.5269 0.4970 257 GLU A OE1 1944 O OE2 . GLU A 257 ? 0.9487 1.5785 1.8306 0.1114 -0.5986 0.5586 257 GLU A OE2 1945 N N . GLU A 258 ? 0.6489 1.1545 1.6784 0.1065 -0.3319 0.3418 258 GLU A N 1946 C CA . GLU A 258 ? 0.6120 1.0740 1.6125 0.1048 -0.2790 0.3137 258 GLU A CA 1947 C C . GLU A 258 ? 0.5994 1.0364 1.6614 0.1270 -0.2522 0.3237 258 GLU A C 1948 O O . GLU A 258 ? 0.5973 0.9917 1.6115 0.1289 -0.2269 0.3225 258 GLU A O 1949 C CB . GLU A 258 ? 0.5788 1.0497 1.5967 0.0904 -0.2527 0.2727 258 GLU A CB 1950 C CG . GLU A 258 ? 0.5989 1.0888 1.5647 0.0673 -0.2766 0.2570 258 GLU A CG 1951 C CD . GLU A 258 ? 0.6101 1.1514 1.6575 0.0615 -0.3017 0.2529 258 GLU A CD 1952 O OE1 . GLU A 258 ? 0.6205 1.1927 1.7586 0.0776 -0.3179 0.2739 258 GLU A OE1 1953 O OE2 . GLU A 258 ? 0.6200 1.1705 1.6449 0.0404 -0.3057 0.2282 258 GLU A OE2 1954 N N . ALA A 259 ? 0.5930 1.0570 1.7647 0.1437 -0.2580 0.3314 259 ALA A N 1955 C CA . ALA A 259 ? 0.5849 1.0260 1.8269 0.1667 -0.2329 0.3360 259 ALA A CA 1956 C C . ALA A 259 ? 0.6091 1.0118 1.8108 0.1756 -0.2428 0.3699 259 ALA A C 1957 O O . ALA A 259 ? 0.6465 1.0603 1.8157 0.1739 -0.2842 0.4073 259 ALA A O 1958 N N . GLY A 260 ? 0.5923 0.9510 1.7947 0.1833 -0.2050 0.3570 260 GLY A N 1959 C CA . GLY A 260 ? 0.6107 0.9290 1.7807 0.1893 -0.2093 0.3870 260 GLY A CA 1960 C C . GLY A 260 ? 0.5982 0.8882 1.6504 0.1693 -0.1963 0.3799 260 GLY A C 1961 O O . GLY A 260 ? 0.6158 0.8693 1.6386 0.1709 -0.1894 0.3973 260 GLY A O 1962 N N . LEU A 261 ? 0.5714 0.8783 1.5615 0.1504 -0.1932 0.3545 261 LEU A N 1963 C CA . LEU A 261 ? 0.5586 0.8412 1.4435 0.1328 -0.1784 0.3423 261 LEU A CA 1964 C C . LEU A 261 ? 0.5234 0.7727 1.3982 0.1301 -0.1322 0.3044 261 LEU A C 1965 O O . LEU A 261 ? 0.4990 0.7561 1.4170 0.1315 -0.1104 0.2744 261 LEU A O 1966 C CB . LEU A 261 ? 0.5552 0.8658 1.3767 0.1144 -0.1967 0.3304 261 LEU A CB 1967 C CG . LEU A 261 ? 0.5977 0.9364 1.3826 0.1100 -0.2427 0.3643 261 LEU A CG 1968 C CD1 . LEU A 261 ? 0.5930 0.9564 1.3242 0.0916 -0.2562 0.3400 261 LEU A CD1 1969 C CD2 . LEU A 261 ? 0.6369 0.9527 1.3560 0.1086 -0.2459 0.3947 261 LEU A CD2 1970 N N . ALA A 262 ? 0.5281 0.7430 1.3441 0.1249 -0.1177 0.3071 262 ALA A N 1971 C CA . ALA A 262 ? 0.5014 0.6848 1.2948 0.1201 -0.0786 0.2730 262 ALA A CA 1972 C C . ALA A 262 ? 0.4981 0.6687 1.1953 0.1035 -0.0732 0.2661 262 ALA A C 1973 O O . ALA A 262 ? 0.5167 0.6937 1.1671 0.0985 -0.0941 0.2920 262 ALA A O 1974 C CB . ALA A 262 ? 0.5051 0.6546 1.3453 0.1333 -0.0617 0.2777 262 ALA A CB 1975 N N . CYS A 263 ? 0.4740 0.6292 1.1425 0.0953 -0.0451 0.2312 263 CYS A N 1976 C CA . CYS A 263 ? 0.4761 0.6148 1.0660 0.0828 -0.0358 0.2221 263 CYS A CA 1977 C C . CYS A 263 ? 0.4697 0.5731 1.0614 0.0854 -0.0121 0.2164 263 CYS A C 1978 O O . CYS A 263 ? 0.4609 0.5497 1.0816 0.0886 0.0107 0.1915 263 CYS A O 1979 C CB . CYS A 263 ? 0.4530 0.5968 1.0093 0.0711 -0.0246 0.1899 263 CYS A CB 1980 S SG . CYS A 263 ? 0.5015 0.6247 0.9719 0.0592 -0.0135 0.1778 263 CYS A SG 1981 N N . ARG A 264 ? 0.4838 0.5751 1.0444 0.0830 -0.0175 0.2390 264 ARG A N 1982 C CA . ARG A 264 ? 0.4784 0.5368 1.0380 0.0822 0.0022 0.2341 264 ARG A CA 1983 C C . ARG A 264 ? 0.4618 0.5128 0.9533 0.0694 0.0144 0.2181 264 ARG A C 1984 O O . ARG A 264 ? 0.4631 0.5299 0.9044 0.0624 0.0038 0.2295 264 ARG A O 1985 C CB . ARG A 264 ? 0.5100 0.5574 1.0962 0.0876 -0.0093 0.2722 264 ARG A CB 1986 C CG . ARG A 264 ? 0.5358 0.5465 1.1402 0.0871 0.0095 0.2660 264 ARG A CG 1987 C CD . ARG A 264 ? 0.6173 0.6112 1.2826 0.0969 -0.0014 0.2999 264 ARG A CD 1988 N NE . ARG A 264 ? 0.6530 0.6086 1.3504 0.0974 0.0171 0.2847 264 ARG A NE 1989 C CZ . ARG A 264 ? 0.6874 0.6175 1.4550 0.1084 0.0154 0.2959 264 ARG A CZ 1990 N NH1 . ARG A 264 ? 0.7050 0.6447 1.5227 0.1216 -0.0049 0.3263 264 ARG A NH1 1991 N NH2 . ARG A 264 ? 0.6982 0.5923 1.4883 0.1062 0.0324 0.2756 264 ARG A NH2 1992 N N . VAL A 265 ? 0.4382 0.4665 0.9302 0.0670 0.0364 0.1906 265 VAL A N 1993 C CA . VAL A 265 ? 0.4218 0.4415 0.8609 0.0567 0.0475 0.1745 265 VAL A CA 1994 C C . VAL A 265 ? 0.4260 0.4191 0.8766 0.0548 0.0589 0.1759 265 VAL A C 1995 O O . VAL A 265 ? 0.4333 0.4063 0.9253 0.0597 0.0688 0.1636 265 VAL A O 1996 C CB . VAL A 265 ? 0.4004 0.4185 0.8237 0.0530 0.0602 0.1405 265 VAL A CB 1997 C CG1 . VAL A 265 ? 0.3931 0.4036 0.7645 0.0439 0.0676 0.1265 265 VAL A CG1 1998 C CG2 . VAL A 265 ? 0.3892 0.4321 0.8123 0.0532 0.0488 0.1391 265 VAL A CG2 1999 N N . LYS A 266 ? 0.4196 0.4145 0.8369 0.0472 0.0577 0.1897 266 LYS A N 2000 C CA . LYS A 266 ? 0.4263 0.3994 0.8509 0.0415 0.0684 0.1879 266 LYS A CA 2001 C C . LYS A 266 ? 0.4157 0.3909 0.7958 0.0333 0.0773 0.1649 266 LYS A C 2002 O O . LYS A 266 ? 0.4168 0.4126 0.7559 0.0303 0.0735 0.1673 266 LYS A O 2003 C CB . LYS A 266 ? 0.4521 0.4270 0.8837 0.0379 0.0617 0.2260 266 LYS A CB 2004 C CG . LYS A 266 ? 0.4569 0.4285 0.9341 0.0464 0.0487 0.2566 266 LYS A CG 2005 C CD . LYS A 266 ? 0.4837 0.4599 0.9570 0.0403 0.0415 0.3000 266 LYS A CD 2006 C CE . LYS A 266 ? 0.5286 0.5009 1.0478 0.0496 0.0245 0.3354 266 LYS A CE 2007 N NZ . LYS A 266 ? 0.5132 0.4481 1.1033 0.0560 0.0287 0.3332 266 LYS A NZ 2008 N N . HIS A 267 ? 0.4113 0.3655 0.8007 0.0301 0.0880 0.1411 267 HIS A N 2009 C CA . HIS A 267 ? 0.3986 0.3535 0.7529 0.0228 0.0936 0.1215 267 HIS A CA 2010 C C . HIS A 267 ? 0.4072 0.3399 0.7823 0.0167 0.1000 0.1106 267 HIS A C 2011 O O . HIS A 267 ? 0.4155 0.3276 0.8269 0.0194 0.1033 0.1037 267 HIS A O 2012 C CB . HIS A 267 ? 0.3836 0.3401 0.7128 0.0242 0.0964 0.0956 267 HIS A CB 2013 C CG . HIS A 267 ? 0.3674 0.3262 0.6604 0.0185 0.0978 0.0810 267 HIS A CG 2014 N ND1 . HIS A 267 ? 0.3740 0.3176 0.6605 0.0142 0.1028 0.0587 267 HIS A ND1 2015 C CD2 . HIS A 267 ? 0.3451 0.3204 0.6090 0.0171 0.0940 0.0855 267 HIS A CD2 2016 C CE1 . HIS A 267 ? 0.3498 0.3001 0.6076 0.0110 0.0998 0.0531 267 HIS A CE1 2017 N NE2 . HIS A 267 ? 0.3428 0.3118 0.5894 0.0134 0.0958 0.0677 267 HIS A NE2 2018 N N . SER A 268 ? 0.4022 0.3402 0.7573 0.0089 0.1012 0.1063 268 SER A N 2019 C CA . SER A 268 ? 0.4100 0.3314 0.7850 0.0004 0.1038 0.0963 268 SER A CA 2020 C C . SER A 268 ? 0.4115 0.3110 0.7891 0.0003 0.1072 0.0637 268 SER A C 2021 O O . SER A 268 ? 0.4193 0.2982 0.8240 -0.0049 0.1085 0.0528 268 SER A O 2022 C CB . SER A 268 ? 0.4010 0.3396 0.7544 -0.0068 0.1031 0.0957 268 SER A CB 2023 O OG . SER A 268 ? 0.4080 0.3586 0.7221 -0.0027 0.1014 0.0809 268 SER A OG 2024 N N . SER A 269 ? 0.4013 0.3057 0.7493 0.0050 0.1091 0.0478 269 SER A N 2025 C CA . SER A 269 ? 0.4125 0.3016 0.7516 0.0038 0.1147 0.0177 269 SER A CA 2026 C C . SER A 269 ? 0.4403 0.3124 0.8161 0.0097 0.1231 0.0078 269 SER A C 2027 O O . SER A 269 ? 0.4534 0.3111 0.8256 0.0077 0.1304 -0.0202 269 SER A O 2028 C CB . SER A 269 ? 0.3996 0.3001 0.6984 0.0055 0.1158 0.0092 269 SER A CB 2029 O OG . SER A 269 ? 0.3765 0.2888 0.6830 0.0131 0.1169 0.0224 269 SER A OG 2030 N N . LEU A 270 ? 0.4512 0.3261 0.8616 0.0174 0.1215 0.0305 270 LEU A N 2031 C CA . LEU A 270 ? 0.4782 0.3408 0.9323 0.0268 0.1285 0.0241 270 LEU A CA 2032 C C . LEU A 270 ? 0.5106 0.3462 1.0136 0.0264 0.1285 0.0239 270 LEU A C 2033 O O . LEU A 270 ? 0.5349 0.3548 1.0796 0.0352 0.1356 0.0113 270 LEU A O 2034 C CB . LEU A 270 ? 0.4666 0.3481 0.9367 0.0368 0.1234 0.0493 270 LEU A CB 2035 C CG . LEU A 270 ? 0.4601 0.3663 0.8917 0.0371 0.1225 0.0481 270 LEU A CG 2036 C CD1 . LEU A 270 ? 0.4743 0.4001 0.9237 0.0445 0.1116 0.0762 270 LEU A CD1 2037 C CD2 . LEU A 270 ? 0.4659 0.3714 0.8899 0.0380 0.1369 0.0182 270 LEU A CD2 2038 N N . GLY A 271 ? 0.5207 0.3508 1.0238 0.0162 0.1212 0.0369 271 GLY A N 2039 C CA . GLY A 271 ? 0.5407 0.3424 1.0931 0.0123 0.1199 0.0379 271 GLY A CA 2040 C C . GLY A 271 ? 0.5588 0.3498 1.1660 0.0236 0.1175 0.0627 271 GLY A C 2041 O O . GLY A 271 ? 0.5889 0.3513 1.2446 0.0290 0.1217 0.0471 271 GLY A O 2042 N N . GLY A 272 ? 0.5452 0.3590 1.1454 0.0278 0.1097 0.1002 272 GLY A N 2043 C CA . GLY A 272 ? 0.5726 0.3801 1.2225 0.0383 0.1024 0.1322 272 GLY A CA 2044 C C . GLY A 272 ? 0.5822 0.3886 1.2640 0.0552 0.1064 0.1176 272 GLY A C 2045 O O . GLY A 272 ? 0.5968 0.3947 1.3312 0.0662 0.0992 0.1404 272 GLY A O 2046 N N . GLN A 273 ? 0.5709 0.3872 1.2239 0.0571 0.1180 0.0813 273 GLN A N 2047 C CA . GLN A 273 ? 0.5757 0.4015 1.2546 0.0716 0.1249 0.0675 273 GLN A CA 2048 C C . GLN A 273 ? 0.5446 0.4075 1.1866 0.0724 0.1176 0.0849 273 GLN A C 2049 O O . GLN A 273 ? 0.5260 0.4038 1.1284 0.0686 0.1262 0.0627 273 GLN A O 2050 C CB . GLN A 273 ? 0.5844 0.4007 1.2536 0.0713 0.1449 0.0176 273 GLN A CB 2051 C CG . GLN A 273 ? 0.6319 0.4104 1.3417 0.0722 0.1530 -0.0092 273 GLN A CG 2052 C CD . GLN A 273 ? 0.6846 0.4463 1.4766 0.0894 0.1521 -0.0004 273 GLN A CD 2053 O OE1 . GLN A 273 ? 0.7184 0.4474 1.5549 0.0892 0.1463 0.0058 273 GLN A OE1 2054 N NE2 . GLN A 273 ? 0.6800 0.4642 1.4985 0.1043 0.1566 0.0012 273 GLN A NE2 2055 N N . ASP A 274 ? 0.5470 0.4237 1.2009 0.0761 0.1005 0.1250 274 ASP A N 2056 C CA . ASP A 274 ? 0.5290 0.4403 1.1469 0.0754 0.0901 0.1410 274 ASP A CA 2057 C C . ASP A 274 ? 0.5182 0.4473 1.1504 0.0833 0.0971 0.1201 274 ASP A C 2058 O O . ASP A 274 ? 0.5279 0.4492 1.2151 0.0947 0.1053 0.1075 274 ASP A O 2059 C CB . ASP A 274 ? 0.5422 0.4657 1.1768 0.0796 0.0691 0.1866 274 ASP A CB 2060 C CG . ASP A 274 ? 0.5663 0.4782 1.1857 0.0698 0.0634 0.2143 274 ASP A CG 2061 O OD1 . ASP A 274 ? 0.5541 0.4560 1.1428 0.0583 0.0736 0.1991 274 ASP A OD1 2062 O OD2 . ASP A 274 ? 0.5923 0.5080 1.2321 0.0730 0.0480 0.2543 274 ASP A OD2 2063 N N . ILE A 275 ? 0.5028 0.4560 1.0892 0.0770 0.0950 0.1157 275 ILE A N 2064 C CA . ILE A 275 ? 0.4936 0.4696 1.0973 0.0821 0.0982 0.1046 275 ILE A CA 2065 C C . ILE A 275 ? 0.5044 0.5019 1.1436 0.0908 0.0763 0.1366 275 ILE A C 2066 O O . ILE A 275 ? 0.5021 0.5092 1.1134 0.0868 0.0572 0.1646 275 ILE A O 2067 C CB . ILE A 275 ? 0.4716 0.4621 1.0186 0.0706 0.1020 0.0897 275 ILE A CB 2068 C CG1 . ILE A 275 ? 0.4620 0.4333 0.9797 0.0634 0.1229 0.0583 275 ILE A CG1 2069 C CG2 . ILE A 275 ? 0.4696 0.4885 1.0405 0.0736 0.1001 0.0875 275 ILE A CG2 2070 C CD1 . ILE A 275 ? 0.4394 0.4168 0.8969 0.0513 0.1238 0.0490 275 ILE A CD1 2071 N N . ILE A 276 ? 0.5149 0.5215 1.2172 0.1032 0.0795 0.1320 276 ILE A N 2072 C CA . ILE A 276 ? 0.5298 0.5598 1.2767 0.1132 0.0568 0.1609 276 ILE A CA 2073 C C . ILE A 276 ? 0.5153 0.5748 1.2973 0.1172 0.0635 0.1431 276 ILE A C 2074 O O . ILE A 276 ? 0.5164 0.5735 1.3499 0.1265 0.0837 0.1208 276 ILE A O 2075 C CB . ILE A 276 ? 0.5635 0.5733 1.3734 0.1274 0.0487 0.1835 276 ILE A CB 2076 C CG1 . ILE A 276 ? 0.5876 0.6232 1.4402 0.1377 0.0191 0.2207 276 ILE A CG1 2077 C CG2 . ILE A 276 ? 0.5833 0.5710 1.4509 0.1385 0.0736 0.1522 276 ILE A CG2 2078 C CD1 . ILE A 276 ? 0.6302 0.6734 1.4309 0.1288 -0.0069 0.2597 276 ILE A CD1 2079 N N . LEU A 277 ? 0.4994 0.5874 1.2522 0.1088 0.0481 0.1508 277 LEU A N 2080 C CA . LEU A 277 ? 0.4908 0.6089 1.2729 0.1078 0.0537 0.1355 277 LEU A CA 2081 C C . LEU A 277 ? 0.4960 0.6476 1.3257 0.1154 0.0231 0.1626 277 LEU A C 2082 O O . LEU A 277 ? 0.4995 0.6614 1.2917 0.1094 -0.0044 0.1858 277 LEU A O 2083 C CB . LEU A 277 ? 0.4745 0.5963 1.1895 0.0897 0.0606 0.1182 277 LEU A CB 2084 C CG . LEU A 277 ? 0.4786 0.6188 1.2051 0.0820 0.0794 0.0942 277 LEU A CG 2085 C CD1 . LEU A 277 ? 0.4966 0.6369 1.2781 0.0911 0.1102 0.0722 277 LEU A CD1 2086 C CD2 . LEU A 277 ? 0.4850 0.6099 1.1354 0.0650 0.0881 0.0800 277 LEU A CD2 2087 N N . TYR A 278 ? 0.4964 0.6663 1.4093 0.1291 0.0279 0.1591 278 TYR A N 2088 C CA . TYR A 278 ? 0.5127 0.7172 1.4834 0.1382 -0.0032 0.1855 278 TYR A CA 2089 C C . TYR A 278 ? 0.5003 0.7444 1.4797 0.1275 -0.0075 0.1741 278 TYR A C 2090 O O . TYR A 278 ? 0.4901 0.7395 1.4778 0.1215 0.0221 0.1447 278 TYR A O 2091 C CB . TYR A 278 ? 0.5223 0.7274 1.5917 0.1613 0.0009 0.1903 278 TYR A CB 2092 C CG . TYR A 278 ? 0.5477 0.7118 1.6178 0.1712 0.0000 0.2058 278 TYR A CG 2093 C CD1 . TYR A 278 ? 0.5483 0.6747 1.6056 0.1715 0.0329 0.1778 278 TYR A CD1 2094 C CD2 . TYR A 278 ? 0.5790 0.7414 1.6598 0.1781 -0.0351 0.2498 278 TYR A CD2 2095 C CE1 . TYR A 278 ? 0.5755 0.6622 1.6375 0.1781 0.0310 0.1913 278 TYR A CE1 2096 C CE2 . TYR A 278 ? 0.6104 0.7330 1.6945 0.1847 -0.0358 0.2677 278 TYR A CE2 2097 C CZ . TYR A 278 ? 0.6076 0.6917 1.6851 0.1844 -0.0024 0.2373 278 TYR A CZ 2098 O OH . TYR A 278 ? 0.6276 0.6709 1.7135 0.1887 -0.0039 0.2540 278 TYR A OH 2099 N N . TRP A 279 ? 0.5113 0.7835 1.4873 0.1235 -0.0448 0.1975 279 TRP A N 2100 C CA . TRP A 279 ? 0.5108 0.8222 1.5065 0.1126 -0.0541 0.1880 279 TRP A CA 2101 C C . TRP A 279 ? 0.5108 0.8557 1.6148 0.1256 -0.0454 0.1823 279 TRP A C 2102 O O . TRP A 279 ? 0.5007 0.8689 1.6296 0.1160 -0.0275 0.1606 279 TRP A O 2103 C CB . TRP A 279 ? 0.5280 0.8621 1.4929 0.1048 -0.0994 0.2120 279 TRP A CB 2104 C CG . TRP A 279 ? 0.5349 0.9085 1.5251 0.0919 -0.1124 0.2009 279 TRP A CG 2105 C CD1 . TRP A 279 ? 0.5417 0.9598 1.6146 0.0978 -0.1358 0.2119 279 TRP A CD1 2106 C CD2 . TRP A 279 ? 0.5439 0.9157 1.4837 0.0701 -0.1032 0.1767 279 TRP A CD2 2107 N NE1 . TRP A 279 ? 0.5436 0.9890 1.6202 0.0793 -0.1419 0.1955 279 TRP A NE1 2108 C CE2 . TRP A 279 ? 0.5336 0.9490 1.5290 0.0619 -0.1221 0.1741 279 TRP A CE2 2109 C CE3 . TRP A 279 ? 0.5335 0.8707 1.3912 0.0568 -0.0827 0.1581 279 TRP A CE3 2110 C CZ2 . TRP A 279 ? 0.5373 0.9592 1.5085 0.0397 -0.1202 0.1536 279 TRP A CZ2 2111 C CZ3 . TRP A 279 ? 0.5355 0.8785 1.3694 0.0368 -0.0814 0.1387 279 TRP A CZ3 2112 C CH2 . TRP A 279 ? 0.5301 0.9134 1.4201 0.0278 -0.0997 0.1366 279 TRP A CH2 2113 N N . GLN B 2 ? 0.8308 1.1085 0.8415 -0.0142 -0.0179 -0.3185 2 GLN B N 2114 C CA . GLN B 2 ? 0.8173 1.0600 0.8522 -0.0235 -0.0204 -0.3059 2 GLN B CA 2115 C C . GLN B 2 ? 0.7952 1.0826 0.8039 -0.0151 -0.0377 -0.2767 2 GLN B C 2116 O O . GLN B 2 ? 0.8086 1.1748 0.8022 -0.0133 -0.0488 -0.2951 2 GLN B O 2117 C CB . GLN B 2 ? 0.8436 1.0872 0.9266 -0.0465 -0.0111 -0.3603 2 GLN B CB 2118 C CG . GLN B 2 ? 0.8410 1.0159 0.9627 -0.0563 -0.0003 -0.3470 2 GLN B CG 2119 C CD . GLN B 2 ? 0.8839 1.0338 1.0658 -0.0771 0.0218 -0.3970 2 GLN B CD 2120 O OE1 . GLN B 2 ? 0.8848 1.0881 1.0893 -0.0942 0.0220 -0.4522 2 GLN B OE1 2121 N NE2 . GLN B 2 ? 0.8949 0.9668 1.1070 -0.0750 0.0426 -0.3780 2 GLN B NE2 2122 N N . LYS B 3 ? 0.7625 1.0046 0.7677 -0.0086 -0.0388 -0.2318 3 LYS B N 2123 C CA . LYS B 3 ? 0.7333 1.0058 0.7194 0.0018 -0.0502 -0.1978 3 LYS B CA 2124 C C . LYS B 3 ? 0.7107 0.9598 0.7222 -0.0092 -0.0523 -0.1943 3 LYS B C 2125 O O . LYS B 3 ? 0.7005 0.8854 0.7314 -0.0164 -0.0429 -0.1868 3 LYS B O 2126 N N . THR B 4 ? 0.6988 1.0059 0.7095 -0.0083 -0.0639 -0.1971 4 THR B N 2127 C CA . THR B 4 ? 0.6802 0.9826 0.7195 -0.0208 -0.0663 -0.2034 4 THR B CA 2128 C C . THR B 4 ? 0.6399 0.9193 0.6739 -0.0109 -0.0675 -0.1573 4 THR B C 2129 O O . THR B 4 ? 0.6410 0.9659 0.6584 0.0050 -0.0752 -0.1326 4 THR B O 2130 C CB . THR B 4 ? 0.6917 1.0809 0.7407 -0.0266 -0.0790 -0.2386 4 THR B CB 2131 O OG1 . THR B 4 ? 0.7029 1.1596 0.7180 -0.0037 -0.0910 -0.2117 4 THR B OG1 2132 C CG2 . THR B 4 ? 0.7393 1.1553 0.8057 -0.0429 -0.0753 -0.2980 4 THR B CG2 2133 N N . PRO B 5 ? 0.6062 0.8205 0.6579 -0.0199 -0.0580 -0.1468 5 PRO B N 2134 C CA . PRO B 5 ? 0.5685 0.7495 0.6150 -0.0122 -0.0547 -0.1075 5 PRO B CA 2135 C C . PRO B 5 ? 0.5417 0.7641 0.5902 -0.0041 -0.0618 -0.0897 5 PRO B C 2136 O O . PRO B 5 ? 0.5403 0.7998 0.6078 -0.0121 -0.0683 -0.1092 5 PRO B O 2137 C CB . PRO B 5 ? 0.5646 0.6906 0.6344 -0.0265 -0.0443 -0.1122 5 PRO B CB 2138 C CG . PRO B 5 ? 0.5955 0.7102 0.6820 -0.0378 -0.0379 -0.1452 5 PRO B CG 2139 C CD . PRO B 5 ? 0.6161 0.7948 0.7009 -0.0392 -0.0478 -0.1761 5 PRO B CD 2140 N N . GLN B 6 ? 0.5179 0.7337 0.5523 0.0117 -0.0582 -0.0536 6 GLN B N 2141 C CA . GLN B 6 ? 0.4995 0.7367 0.5426 0.0219 -0.0582 -0.0283 6 GLN B CA 2142 C C . GLN B 6 ? 0.4762 0.6613 0.5363 0.0110 -0.0494 -0.0225 6 GLN B C 2143 O O . GLN B 6 ? 0.4674 0.6024 0.5219 0.0066 -0.0409 -0.0180 6 GLN B O 2144 C CB . GLN B 6 ? 0.5039 0.7488 0.5332 0.0433 -0.0508 0.0074 6 GLN B CB 2145 C CG . GLN B 6 ? 0.5408 0.8306 0.5800 0.0616 -0.0503 0.0360 6 GLN B CG 2146 N N . ILE B 7 ? 0.4538 0.6579 0.5346 0.0069 -0.0517 -0.0242 7 ILE B N 2147 C CA . ILE B 7 ? 0.4257 0.5893 0.5225 -0.0030 -0.0423 -0.0198 7 ILE B CA 2148 C C . ILE B 7 ? 0.4148 0.5951 0.5254 0.0084 -0.0378 0.0042 7 ILE B C 2149 O O . ILE B 7 ? 0.4203 0.6534 0.5422 0.0168 -0.0456 0.0067 7 ILE B O 2150 C CB . ILE B 7 ? 0.4315 0.5953 0.5505 -0.0217 -0.0436 -0.0468 7 ILE B CB 2151 C CG1 . ILE B 7 ? 0.4306 0.5841 0.5478 -0.0327 -0.0448 -0.0745 7 ILE B CG1 2152 C CG2 . ILE B 7 ? 0.3999 0.5206 0.5299 -0.0301 -0.0310 -0.0377 7 ILE B CG2 2153 C CD1 . ILE B 7 ? 0.4219 0.5873 0.5721 -0.0516 -0.0431 -0.1070 7 ILE B CD1 2154 N N . GLN B 8 ? 0.3944 0.5346 0.5072 0.0095 -0.0242 0.0201 8 GLN B N 2155 C CA . GLN B 8 ? 0.3882 0.5355 0.5208 0.0201 -0.0140 0.0417 8 GLN B CA 2156 C C . GLN B 8 ? 0.3795 0.4916 0.5249 0.0076 -0.0024 0.0368 8 GLN B C 2157 O O . GLN B 8 ? 0.3775 0.4533 0.5109 -0.0005 0.0040 0.0310 8 GLN B O 2158 C CB . GLN B 8 ? 0.3928 0.5340 0.5226 0.0364 -0.0026 0.0654 8 GLN B CB 2159 C CG . GLN B 8 ? 0.4071 0.5939 0.5242 0.0537 -0.0113 0.0778 8 GLN B CG 2160 C CD . GLN B 8 ? 0.4345 0.6090 0.5511 0.0693 0.0048 0.1037 8 GLN B CD 2161 O OE1 . GLN B 8 ? 0.4235 0.5723 0.5237 0.0643 0.0075 0.0968 8 GLN B OE1 2162 N NE2 . GLN B 8 ? 0.4114 0.6049 0.5510 0.0893 0.0183 0.1354 8 GLN B NE2 2163 N N . VAL B 9 ? 0.3687 0.4994 0.5384 0.0073 -0.0003 0.0389 9 VAL B N 2164 C CA . VAL B 9 ? 0.3517 0.4569 0.5335 -0.0047 0.0110 0.0326 9 VAL B CA 2165 C C . VAL B 9 ? 0.3519 0.4595 0.5601 0.0055 0.0266 0.0486 9 VAL B C 2166 O O . VAL B 9 ? 0.3552 0.4975 0.5839 0.0205 0.0253 0.0640 9 VAL B O 2167 C CB . VAL B 9 ? 0.3510 0.4722 0.5461 -0.0174 0.0046 0.0170 9 VAL B CB 2168 C CG1 . VAL B 9 ? 0.3367 0.4314 0.5405 -0.0291 0.0190 0.0134 9 VAL B CG1 2169 C CG2 . VAL B 9 ? 0.3319 0.4502 0.5117 -0.0271 -0.0060 -0.0006 9 VAL B CG2 2170 N N . TYR B 10 ? 0.3447 0.4198 0.5547 -0.0013 0.0426 0.0442 10 TYR B N 2171 C CA . TYR B 10 ? 0.3441 0.4135 0.5845 0.0062 0.0633 0.0536 10 TYR B CA 2172 C C . TYR B 10 ? 0.3432 0.3876 0.5844 -0.0082 0.0786 0.0356 10 TYR B C 2173 O O . TYR B 10 ? 0.3341 0.3649 0.5461 -0.0194 0.0735 0.0219 10 TYR B O 2174 C CB . TYR B 10 ? 0.3448 0.4091 0.5919 0.0208 0.0724 0.0697 10 TYR B CB 2175 C CG . TYR B 10 ? 0.3415 0.3844 0.5606 0.0137 0.0692 0.0589 10 TYR B CG 2176 C CD1 . TYR B 10 ? 0.3273 0.3461 0.5578 0.0082 0.0882 0.0488 10 TYR B CD1 2177 C CD2 . TYR B 10 ? 0.3475 0.3983 0.5339 0.0122 0.0485 0.0557 10 TYR B CD2 2178 C CE1 . TYR B 10 ? 0.3275 0.3346 0.5360 0.0025 0.0843 0.0380 10 TYR B CE1 2179 C CE2 . TYR B 10 ? 0.3341 0.3678 0.4981 0.0076 0.0460 0.0473 10 TYR B CE2 2180 C CZ . TYR B 10 ? 0.3290 0.3429 0.5032 0.0033 0.0627 0.0396 10 TYR B CZ 2181 O OH . TYR B 10 ? 0.3192 0.3237 0.4738 -0.0006 0.0587 0.0301 10 TYR B OH 2182 N N . SER B 11 ? 0.3428 0.3868 0.6183 -0.0061 0.0981 0.0362 11 SER B N 2183 C CA . SER B 11 ? 0.3522 0.3825 0.6307 -0.0196 0.1145 0.0150 11 SER B CA 2184 C C . SER B 11 ? 0.3554 0.3699 0.6479 -0.0206 0.1331 0.0039 11 SER B C 2185 O O . SER B 11 ? 0.3581 0.3668 0.6758 -0.0080 0.1428 0.0188 11 SER B O 2186 C CB . SER B 11 ? 0.3551 0.3948 0.6668 -0.0198 0.1285 0.0145 11 SER B CB 2187 O OG . SER B 11 ? 0.3774 0.4204 0.7342 -0.0038 0.1442 0.0309 11 SER B OG 2188 N N . ARG B 12 ? 0.3579 0.3699 0.6362 -0.0351 0.1399 -0.0224 12 ARG B N 2189 C CA . ARG B 12 ? 0.3585 0.3634 0.6544 -0.0410 0.1584 -0.0442 12 ARG B CA 2190 C C . ARG B 12 ? 0.3681 0.3656 0.7217 -0.0402 0.1905 -0.0530 12 ARG B C 2191 O O . ARG B 12 ? 0.3788 0.3622 0.7701 -0.0378 0.2116 -0.0573 12 ARG B O 2192 C CB . ARG B 12 ? 0.3653 0.3856 0.6267 -0.0557 0.1532 -0.0724 12 ARG B CB 2193 C CG . ARG B 12 ? 0.3548 0.3826 0.6396 -0.0669 0.1741 -0.1084 12 ARG B CG 2194 C CD . ARG B 12 ? 0.3444 0.3603 0.6398 -0.0636 0.1745 -0.1063 12 ARG B CD 2195 N NE . ARG B 12 ? 0.3600 0.3871 0.6831 -0.0774 0.1947 -0.1468 12 ARG B NE 2196 C CZ . ARG B 12 ? 0.3711 0.3870 0.7547 -0.0830 0.2282 -0.1666 12 ARG B CZ 2197 N NH1 . ARG B 12 ? 0.3816 0.3744 0.8020 -0.0723 0.2448 -0.1437 12 ARG B NH1 2198 N NH2 . ARG B 12 ? 0.3908 0.4218 0.8028 -0.0990 0.2468 -0.2113 12 ARG B NH2 2199 N N . HIS B 13 ? 0.3644 0.3700 0.7295 -0.0425 0.1975 -0.0561 13 HIS B N 2200 C CA . HIS B 13 ? 0.3797 0.3783 0.8034 -0.0412 0.2302 -0.0654 13 HIS B CA 2201 C C . HIS B 13 ? 0.3748 0.3774 0.8217 -0.0247 0.2284 -0.0326 13 HIS B C 2202 O O . HIS B 13 ? 0.3566 0.3732 0.7704 -0.0210 0.2018 -0.0146 13 HIS B O 2203 C CB . HIS B 13 ? 0.3930 0.4065 0.8157 -0.0592 0.2446 -0.1048 13 HIS B CB 2204 C CG . HIS B 13 ? 0.4078 0.4373 0.7979 -0.0751 0.2402 -0.1392 13 HIS B CG 2205 N ND1 . HIS B 13 ? 0.4285 0.4555 0.8509 -0.0840 0.2612 -0.1708 13 HIS B ND1 2206 C CD2 . HIS B 13 ? 0.4190 0.4728 0.7509 -0.0823 0.2185 -0.1465 13 HIS B CD2 2207 C CE1 . HIS B 13 ? 0.4373 0.4932 0.8201 -0.0965 0.2489 -0.1987 13 HIS B CE1 2208 N NE2 . HIS B 13 ? 0.4584 0.5308 0.7843 -0.0936 0.2231 -0.1811 13 HIS B NE2 2209 N N . PRO B 14 ? 0.3929 0.3866 0.9015 -0.0150 0.2586 -0.0272 14 PRO B N 2210 C CA . PRO B 14 ? 0.3995 0.4069 0.9340 0.0026 0.2572 0.0033 14 PRO B CA 2211 C C . PRO B 14 ? 0.4029 0.4312 0.9073 -0.0086 0.2398 -0.0065 14 PRO B C 2212 O O . PRO B 14 ? 0.4049 0.4332 0.9042 -0.0257 0.2521 -0.0378 14 PRO B O 2213 C CB . PRO B 14 ? 0.4193 0.4116 1.0274 0.0093 0.2995 -0.0012 14 PRO B CB 2214 C CG . PRO B 14 ? 0.4362 0.4032 1.0636 -0.0009 0.3233 -0.0264 14 PRO B CG 2215 C CD . PRO B 14 ? 0.4149 0.3894 0.9773 -0.0212 0.2976 -0.0533 14 PRO B CD 2216 N N . PRO B 15 ? 0.4085 0.4587 0.8945 0.0002 0.2132 0.0180 15 PRO B N 2217 C CA . PRO B 15 ? 0.4103 0.4784 0.8767 -0.0110 0.2004 0.0100 15 PRO B CA 2218 C C . PRO B 15 ? 0.4356 0.5133 0.9486 -0.0089 0.2227 0.0063 15 PRO B C 2219 O O . PRO B 15 ? 0.4484 0.5355 1.0100 0.0103 0.2339 0.0273 15 PRO B O 2220 C CB . PRO B 15 ? 0.3978 0.4903 0.8482 -0.0016 0.1704 0.0330 15 PRO B CB 2221 C CG . PRO B 15 ? 0.4029 0.5011 0.8760 0.0214 0.1715 0.0600 15 PRO B CG 2222 C CD . PRO B 15 ? 0.3993 0.4625 0.8792 0.0190 0.1939 0.0501 15 PRO B CD 2223 N N . GLU B 16 ? 0.4527 0.5309 0.9512 -0.0267 0.2307 -0.0179 16 GLU B N 2224 C CA . GLU B 16 ? 0.4702 0.5590 1.0086 -0.0277 0.2527 -0.0258 16 GLU B CA 2225 C C . GLU B 16 ? 0.4664 0.5692 0.9720 -0.0434 0.2426 -0.0338 16 GLU B C 2226 O O . GLU B 16 ? 0.4663 0.5629 0.9238 -0.0572 0.2369 -0.0469 16 GLU B O 2227 C CB . GLU B 16 ? 0.4909 0.5636 1.0556 -0.0344 0.2868 -0.0547 16 GLU B CB 2228 C CG . GLU B 16 ? 0.5486 0.6321 1.1475 -0.0400 0.3129 -0.0723 16 GLU B CG 2229 C CD . GLU B 16 ? 0.6111 0.6793 1.2658 -0.0390 0.3522 -0.0958 16 GLU B CD 2230 O OE1 . GLU B 16 ? 0.6383 0.6881 1.2955 -0.0425 0.3618 -0.1113 16 GLU B OE1 2231 O OE2 . GLU B 16 ? 0.6455 0.7205 1.3481 -0.0355 0.3763 -0.1011 16 GLU B OE2 2232 N N . ASN B 17 ? 0.4640 0.5885 0.9989 -0.0396 0.2417 -0.0233 17 ASN B N 2233 C CA . ASN B 17 ? 0.4667 0.6027 0.9809 -0.0543 0.2363 -0.0281 17 ASN B CA 2234 C C . ASN B 17 ? 0.4857 0.6162 0.9789 -0.0696 0.2586 -0.0505 17 ASN B C 2235 O O . ASN B 17 ? 0.4938 0.6262 1.0164 -0.0693 0.2844 -0.0663 17 ASN B O 2236 C CB . ASN B 17 ? 0.4615 0.6277 1.0212 -0.0482 0.2333 -0.0166 17 ASN B CB 2237 C CG . ASN B 17 ? 0.4493 0.6364 1.0116 -0.0379 0.2037 0.0013 17 ASN B CG 2238 O OD1 . ASN B 17 ? 0.4406 0.6150 0.9630 -0.0405 0.1852 0.0036 17 ASN B OD1 2239 N ND2 . ASN B 17 ? 0.4422 0.6677 1.0517 -0.0253 0.1992 0.0125 17 ASN B ND2 2240 N N . GLY B 18 ? 0.4926 0.6192 0.9353 -0.0813 0.2502 -0.0513 18 GLY B N 2241 C CA . GLY B 18 ? 0.5107 0.6430 0.9233 -0.0927 0.2693 -0.0674 18 GLY B CA 2242 C C . GLY B 18 ? 0.5154 0.6455 0.8942 -0.0949 0.2729 -0.0870 18 GLY B C 2243 O O . GLY B 18 ? 0.5370 0.6839 0.8840 -0.1026 0.2859 -0.1015 18 GLY B O 2244 N N . LYS B 19 ? 0.4954 0.6109 0.8815 -0.0878 0.2623 -0.0879 19 LYS B N 2245 C CA . LYS B 19 ? 0.4961 0.6122 0.8602 -0.0914 0.2662 -0.1111 19 LYS B CA 2246 C C . LYS B 19 ? 0.4884 0.5974 0.8039 -0.0900 0.2403 -0.0990 19 LYS B C 2247 O O . LYS B 19 ? 0.4662 0.5579 0.7867 -0.0820 0.2213 -0.0783 19 LYS B O 2248 C CB . LYS B 19 ? 0.4946 0.5972 0.9116 -0.0855 0.2814 -0.1240 19 LYS B CB 2249 N N . PRO B 20 ? 0.5014 0.6301 0.7699 -0.0962 0.2398 -0.1117 20 PRO B N 2250 C CA . PRO B 20 ? 0.4877 0.6125 0.7129 -0.0929 0.2170 -0.0991 20 PRO B CA 2251 C C . PRO B 20 ? 0.4664 0.5743 0.7073 -0.0890 0.2078 -0.1056 20 PRO B C 2252 O O . PRO B 20 ? 0.4670 0.5768 0.7392 -0.0922 0.2240 -0.1315 20 PRO B O 2253 C CB . PRO B 20 ? 0.5167 0.6791 0.6970 -0.0974 0.2230 -0.1151 20 PRO B CB 2254 C CG . PRO B 20 ? 0.5389 0.7228 0.7292 -0.1030 0.2469 -0.1252 20 PRO B CG 2255 C CD . PRO B 20 ? 0.5243 0.6871 0.7765 -0.1044 0.2602 -0.1363 20 PRO B CD 2256 N N . ASN B 21 ? 0.4386 0.5293 0.6616 -0.0825 0.1853 -0.0825 21 ASN B N 2257 C CA . ASN B 21 ? 0.4180 0.4908 0.6560 -0.0764 0.1759 -0.0797 21 ASN B CA 2258 C C . ASN B 21 ? 0.4096 0.4796 0.6039 -0.0735 0.1533 -0.0669 21 ASN B C 2259 O O . ASN B 21 ? 0.4232 0.5042 0.5824 -0.0749 0.1483 -0.0594 21 ASN B O 2260 C CB . ASN B 21 ? 0.3998 0.4572 0.6752 -0.0674 0.1729 -0.0585 21 ASN B CB 2261 C CG . ASN B 21 ? 0.3897 0.4335 0.6968 -0.0581 0.1762 -0.0550 21 ASN B CG 2262 O OD1 . ASN B 21 ? 0.3847 0.4220 0.6784 -0.0579 0.1711 -0.0603 21 ASN B OD1 2263 N ND2 . ASN B 21 ? 0.3890 0.4307 0.7412 -0.0485 0.1866 -0.0429 21 ASN B ND2 2264 N N . ILE B 22 ? 0.3922 0.4481 0.5909 -0.0679 0.1426 -0.0621 22 ILE B N 2265 C CA . ILE B 22 ? 0.3839 0.4351 0.5470 -0.0641 0.1220 -0.0491 22 ILE B CA 2266 C C . ILE B 22 ? 0.3676 0.4010 0.5448 -0.0563 0.1092 -0.0292 22 ILE B C 2267 O O . ILE B 22 ? 0.3650 0.3932 0.5736 -0.0507 0.1147 -0.0271 22 ILE B O 2268 C CB . ILE B 22 ? 0.3852 0.4474 0.5341 -0.0656 0.1205 -0.0673 22 ILE B CB 2269 C CG1 . ILE B 22 ? 0.4139 0.5107 0.5417 -0.0725 0.1295 -0.0886 22 ILE B CG1 2270 C CG2 . ILE B 22 ? 0.3666 0.4203 0.4884 -0.0591 0.1003 -0.0523 22 ILE B CG2 2271 C CD1 . ILE B 22 ? 0.4500 0.5717 0.5733 -0.0766 0.1303 -0.1165 22 ILE B CD1 2272 N N . LEU B 23 ? 0.3662 0.3944 0.5238 -0.0552 0.0948 -0.0147 23 LEU B N 2273 C CA . LEU B 23 ? 0.3558 0.3780 0.5224 -0.0493 0.0806 -0.0025 23 LEU B CA 2274 C C . LEU B 23 ? 0.3592 0.3735 0.5003 -0.0456 0.0672 -0.0003 23 LEU B C 2275 O O . LEU B 23 ? 0.3739 0.3851 0.4884 -0.0477 0.0646 -0.0001 23 LEU B O 2276 C CB . LEU B 23 ? 0.3543 0.3786 0.5278 -0.0538 0.0768 0.0040 23 LEU B CB 2277 C CG . LEU B 23 ? 0.3416 0.3756 0.5320 -0.0494 0.0629 0.0087 23 LEU B CG 2278 C CD1 . LEU B 23 ? 0.3418 0.3939 0.5642 -0.0403 0.0667 0.0135 23 LEU B CD1 2279 C CD2 . LEU B 23 ? 0.3280 0.3653 0.5287 -0.0585 0.0610 0.0066 23 LEU B CD2 2280 N N . ASN B 24 ? 0.3481 0.3621 0.4986 -0.0378 0.0608 0.0041 24 ASN B N 2281 C CA . ASN B 24 ? 0.3397 0.3480 0.4708 -0.0334 0.0496 0.0058 24 ASN B CA 2282 C C . ASN B 24 ? 0.3404 0.3536 0.4699 -0.0297 0.0351 0.0126 24 ASN B C 2283 O O . ASN B 24 ? 0.3369 0.3661 0.4864 -0.0258 0.0330 0.0176 24 ASN B O 2284 C CB . ASN B 24 ? 0.3420 0.3493 0.4867 -0.0271 0.0572 0.0053 24 ASN B CB 2285 C CG . ASN B 24 ? 0.3530 0.3601 0.5059 -0.0338 0.0733 -0.0112 24 ASN B CG 2286 O OD1 . ASN B 24 ? 0.3551 0.3686 0.4880 -0.0408 0.0727 -0.0220 24 ASN B OD1 2287 N ND2 . ASN B 24 ? 0.3478 0.3514 0.5334 -0.0309 0.0901 -0.0137 24 ASN B ND2 2288 N N . CYS B 25 ? 0.3445 0.3494 0.4526 -0.0303 0.0257 0.0108 25 CYS B N 2289 C CA . CYS B 25 ? 0.3481 0.3607 0.4551 -0.0279 0.0132 0.0098 25 CYS B CA 2290 C C . CYS B 25 ? 0.3476 0.3551 0.4366 -0.0214 0.0076 0.0101 25 CYS B C 2291 O O . CYS B 25 ? 0.3486 0.3413 0.4215 -0.0229 0.0075 0.0078 25 CYS B O 2292 C CB . CYS B 25 ? 0.3627 0.3664 0.4705 -0.0369 0.0119 0.0033 25 CYS B CB 2293 S SG . CYS B 25 ? 0.3925 0.4134 0.5057 -0.0371 -0.0012 -0.0093 25 CYS B SG 2294 N N . TYR B 26 ? 0.3457 0.3692 0.4389 -0.0121 0.0045 0.0159 26 TYR B N 2295 C CA . TYR B 26 ? 0.3475 0.3681 0.4274 -0.0053 0.0026 0.0180 26 TYR B CA 2296 C C . TYR B 26 ? 0.3529 0.3905 0.4237 -0.0023 -0.0096 0.0129 26 TYR B C 2297 O O . TYR B 26 ? 0.3515 0.4199 0.4295 0.0038 -0.0148 0.0166 26 TYR B O 2298 C CB . TYR B 26 ? 0.3472 0.3735 0.4418 0.0042 0.0141 0.0311 26 TYR B CB 2299 C CG . TYR B 26 ? 0.3597 0.3794 0.4473 0.0094 0.0184 0.0334 26 TYR B CG 2300 C CD1 . TYR B 26 ? 0.3770 0.3818 0.4514 0.0027 0.0170 0.0209 26 TYR B CD1 2301 C CD2 . TYR B 26 ? 0.3687 0.4009 0.4654 0.0228 0.0258 0.0507 26 TYR B CD2 2302 C CE1 . TYR B 26 ? 0.3742 0.3765 0.4470 0.0065 0.0216 0.0207 26 TYR B CE1 2303 C CE2 . TYR B 26 ? 0.3729 0.3981 0.4676 0.0266 0.0334 0.0532 26 TYR B CE2 2304 C CZ . TYR B 26 ? 0.3821 0.3921 0.4663 0.0171 0.0309 0.0359 26 TYR B CZ 2305 O OH . TYR B 26 ? 0.4571 0.4636 0.5441 0.0201 0.0391 0.0365 26 TYR B OH 2306 N N . VAL B 27 ? 0.3605 0.3835 0.4171 -0.0056 -0.0134 0.0035 27 VAL B N 2307 C CA . VAL B 27 ? 0.3758 0.4113 0.4266 -0.0057 -0.0221 -0.0090 27 VAL B CA 2308 C C . VAL B 27 ? 0.3881 0.4244 0.4238 0.0028 -0.0224 -0.0059 27 VAL B C 2309 O O . VAL B 27 ? 0.3930 0.4076 0.4226 0.0032 -0.0178 -0.0033 27 VAL B O 2310 C CB . VAL B 27 ? 0.3863 0.3995 0.4418 -0.0159 -0.0207 -0.0223 27 VAL B CB 2311 C CG1 . VAL B 27 ? 0.3985 0.4265 0.4576 -0.0189 -0.0262 -0.0432 27 VAL B CG1 2312 C CG2 . VAL B 27 ? 0.3807 0.3882 0.4531 -0.0249 -0.0157 -0.0223 27 VAL B CG2 2313 N N . THR B 28 ? 0.3954 0.4632 0.4252 0.0105 -0.0277 -0.0066 28 THR B N 2314 C CA . THR B 28 ? 0.3995 0.4723 0.4164 0.0203 -0.0248 0.0004 28 THR B CA 2315 C C . THR B 28 ? 0.4231 0.5282 0.4285 0.0232 -0.0330 -0.0146 28 THR B C 2316 O O . THR B 28 ? 0.4214 0.5521 0.4322 0.0174 -0.0412 -0.0323 28 THR B O 2317 C CB . THR B 28 ? 0.3946 0.4828 0.4168 0.0332 -0.0158 0.0257 28 THR B CB 2318 O OG1 . THR B 28 ? 0.3837 0.5098 0.4111 0.0393 -0.0216 0.0318 28 THR B OG1 2319 C CG2 . THR B 28 ? 0.3891 0.4479 0.4278 0.0295 -0.0034 0.0348 28 THR B CG2 2320 N N . GLN B 29 ? 0.4361 0.5445 0.4285 0.0312 -0.0292 -0.0105 29 GLN B N 2321 C CA . GLN B 29 ? 0.4710 0.6189 0.4487 0.0371 -0.0344 -0.0225 29 GLN B CA 2322 C C . GLN B 29 ? 0.4727 0.6173 0.4534 0.0250 -0.0397 -0.0576 29 GLN B C 2323 O O . GLN B 29 ? 0.4986 0.6860 0.4718 0.0260 -0.0452 -0.0780 29 GLN B O 2329 N N . PHE B 30 ? 0.4472 0.5454 0.4413 0.0149 -0.0358 -0.0652 30 PHE B N 2330 C CA . PHE B 30 ? 0.4479 0.5368 0.4554 0.0044 -0.0347 -0.0963 30 PHE B CA 2331 C C . PHE B 30 ? 0.4525 0.5155 0.4582 0.0079 -0.0275 -0.1007 30 PHE B C 2332 O O . PHE B 30 ? 0.4240 0.4691 0.4211 0.0158 -0.0243 -0.0796 30 PHE B O 2333 C CB . PHE B 30 ? 0.4432 0.5023 0.4744 -0.0076 -0.0310 -0.1011 30 PHE B CB 2334 C CG . PHE B 30 ? 0.4127 0.4310 0.4435 -0.0047 -0.0255 -0.0747 30 PHE B CG 2335 C CD1 . PHE B 30 ? 0.3560 0.3781 0.3806 -0.0016 -0.0276 -0.0533 30 PHE B CD1 2336 C CD2 . PHE B 30 ? 0.4093 0.3914 0.4485 -0.0039 -0.0170 -0.0725 30 PHE B CD2 2337 C CE1 . PHE B 30 ? 0.3816 0.3763 0.4056 -0.0004 -0.0225 -0.0361 30 PHE B CE1 2338 C CE2 . PHE B 30 ? 0.3950 0.3542 0.4307 0.0006 -0.0136 -0.0494 30 PHE B CE2 2339 C CZ . PHE B 30 ? 0.3748 0.3427 0.4017 0.0009 -0.0170 -0.0344 30 PHE B CZ 2340 N N . HIS B 31 ? 0.4771 0.5421 0.4960 0.0013 -0.0235 -0.1314 31 HIS B N 2341 C CA . HIS B 31 ? 0.5074 0.5429 0.5350 0.0043 -0.0136 -0.1380 31 HIS B CA 2342 C C . HIS B 31 ? 0.5324 0.5671 0.5882 -0.0072 -0.0050 -0.1775 31 HIS B C 2343 O O . HIS B 31 ? 0.5445 0.6227 0.6016 -0.0156 -0.0101 -0.2069 31 HIS B O 2344 C CB . HIS B 31 ? 0.5113 0.5640 0.5165 0.0161 -0.0139 -0.1305 31 HIS B CB 2345 C CG . HIS B 31 ? 0.5602 0.6645 0.5511 0.0167 -0.0172 -0.1532 31 HIS B CG 2346 N ND1 . HIS B 31 ? 0.6378 0.7517 0.6357 0.0145 -0.0102 -0.1850 31 HIS B ND1 2347 C CD2 . HIS B 31 ? 0.5985 0.7543 0.5687 0.0211 -0.0258 -0.1484 31 HIS B CD2 2348 C CE1 . HIS B 31 ? 0.6650 0.8388 0.6433 0.0163 -0.0157 -0.2018 31 HIS B CE1 2349 N NE2 . HIS B 31 ? 0.6319 0.8338 0.5922 0.0218 -0.0256 -0.1771 31 HIS B NE2 2350 N N . PRO B 32 ? 0.5499 0.5394 0.6328 -0.0071 0.0098 -0.1796 32 PRO B N 2351 C CA . PRO B 32 ? 0.5426 0.4934 0.6254 0.0054 0.0152 -0.1466 32 PRO B CA 2352 C C . PRO B 32 ? 0.5267 0.4615 0.6043 0.0065 0.0111 -0.1154 32 PRO B C 2353 O O . PRO B 32 ? 0.5239 0.4680 0.6052 -0.0036 0.0074 -0.1205 32 PRO B O 2354 C CB . PRO B 32 ? 0.5752 0.4900 0.6981 0.0048 0.0356 -0.1610 32 PRO B CB 2355 C CG . PRO B 32 ? 0.6000 0.5201 0.7525 -0.0137 0.0430 -0.1964 32 PRO B CG 2356 C CD . PRO B 32 ? 0.5804 0.5593 0.7041 -0.0200 0.0252 -0.2185 32 PRO B CD 2357 N N . PRO B 33 ? 0.5184 0.4360 0.5888 0.0189 0.0117 -0.0859 33 PRO B N 2358 C CA . PRO B 33 ? 0.5049 0.4171 0.5662 0.0205 0.0076 -0.0595 33 PRO B CA 2359 C C . PRO B 33 ? 0.5231 0.4092 0.6074 0.0159 0.0191 -0.0523 33 PRO B C 2360 O O . PRO B 33 ? 0.5290 0.4167 0.6046 0.0143 0.0160 -0.0356 33 PRO B O 2361 C CB . PRO B 33 ? 0.4959 0.4079 0.5478 0.0352 0.0063 -0.0380 33 PRO B CB 2362 C CG . PRO B 33 ? 0.5257 0.4245 0.5958 0.0431 0.0164 -0.0466 33 PRO B CG 2363 C CD . PRO B 33 ? 0.5226 0.4322 0.5953 0.0323 0.0166 -0.0789 33 PRO B CD 2364 N N . HIS B 34 ? 0.5463 0.4079 0.6634 0.0135 0.0356 -0.0648 34 HIS B N 2365 C CA . HIS B 34 ? 0.5757 0.4098 0.7213 0.0087 0.0520 -0.0559 34 HIS B CA 2366 C C . HIS B 34 ? 0.5585 0.4070 0.7081 -0.0095 0.0470 -0.0735 34 HIS B C 2367 O O . HIS B 34 ? 0.5602 0.4298 0.7184 -0.0225 0.0425 -0.1084 34 HIS B O 2368 C CB . HIS B 34 ? 0.6121 0.4116 0.8038 0.0093 0.0775 -0.0662 34 HIS B CB 2369 C CG . HIS B 34 ? 0.6914 0.4572 0.9162 0.0088 0.1006 -0.0464 34 HIS B CG 2370 N ND1 . HIS B 34 ? 0.7496 0.5027 1.0137 -0.0112 0.1157 -0.0729 34 HIS B ND1 2371 C CD2 . HIS B 34 ? 0.7519 0.4992 0.9776 0.0266 0.1126 -0.0016 34 HIS B CD2 2372 C CE1 . HIS B 34 ? 0.7928 0.5134 1.0834 -0.0063 0.1391 -0.0434 34 HIS B CE1 2373 N NE2 . HIS B 34 ? 0.8020 0.5200 1.0670 0.0181 0.1374 0.0024 34 HIS B NE2 2374 N N . ILE B 35 ? 0.5449 0.3885 0.6885 -0.0093 0.0477 -0.0497 35 ILE B N 2375 C CA . ILE B 35 ? 0.5247 0.3848 0.6712 -0.0241 0.0422 -0.0609 35 ILE B CA 2376 C C . ILE B 35 ? 0.5362 0.3760 0.6931 -0.0241 0.0556 -0.0353 35 ILE B C 2377 O O . ILE B 35 ? 0.5382 0.3648 0.6831 -0.0091 0.0619 -0.0027 35 ILE B O 2378 C CB . ILE B 35 ? 0.4894 0.3872 0.5998 -0.0228 0.0194 -0.0608 35 ILE B CB 2379 C CG1 . ILE B 35 ? 0.4581 0.3843 0.5784 -0.0368 0.0124 -0.0820 35 ILE B CG1 2380 C CG2 . ILE B 35 ? 0.4624 0.3596 0.5469 -0.0123 0.0151 -0.0296 35 ILE B CG2 2381 C CD1 . ILE B 35 ? 0.4461 0.4118 0.5389 -0.0321 -0.0057 -0.0819 35 ILE B CD1 2382 N N . GLU B 36 ? 0.5365 0.3806 0.7167 -0.0402 0.0604 -0.0510 36 GLU B N 2383 C CA . GLU B 36 ? 0.5501 0.3801 0.7399 -0.0421 0.0735 -0.0289 36 GLU B CA 2384 C C . GLU B 36 ? 0.5223 0.3841 0.6992 -0.0513 0.0583 -0.0361 36 GLU B C 2385 O O . GLU B 36 ? 0.5046 0.3933 0.6930 -0.0632 0.0482 -0.0660 36 GLU B O 2386 C CB . GLU B 36 ? 0.5895 0.3878 0.8334 -0.0531 0.1021 -0.0382 36 GLU B CB 2387 C CG . GLU B 36 ? 0.6525 0.4285 0.9056 -0.0487 0.1230 -0.0032 36 GLU B CG 2388 C CD . GLU B 36 ? 0.7200 0.4688 1.0347 -0.0653 0.1532 -0.0174 36 GLU B CD 2389 O OE1 . GLU B 36 ? 0.7503 0.4732 1.1067 -0.0694 0.1722 -0.0349 36 GLU B OE1 2390 O OE2 . GLU B 36 ? 0.7314 0.4849 1.0572 -0.0751 0.1601 -0.0133 36 GLU B OE2 2391 N N . ILE B 37 ? 0.5133 0.3776 0.6667 -0.0439 0.0571 -0.0089 37 ILE B N 2392 C CA . ILE B 37 ? 0.4920 0.3837 0.6336 -0.0491 0.0452 -0.0113 37 ILE B CA 2393 C C . ILE B 37 ? 0.5018 0.3825 0.6523 -0.0517 0.0613 0.0071 37 ILE B C 2394 O O . ILE B 37 ? 0.5146 0.3836 0.6485 -0.0401 0.0708 0.0344 37 ILE B O 2395 C CB . ILE B 37 ? 0.4665 0.3770 0.5702 -0.0379 0.0294 -0.0009 37 ILE B CB 2396 C CG1 . ILE B 37 ? 0.4582 0.3812 0.5517 -0.0339 0.0157 -0.0154 37 ILE B CG1 2397 C CG2 . ILE B 37 ? 0.4542 0.3865 0.5549 -0.0421 0.0239 -0.0012 37 ILE B CG2 2398 C CD1 . ILE B 37 ? 0.4125 0.3478 0.4777 -0.0236 0.0061 -0.0052 37 ILE B CD1 2399 N N . GLN B 38 ? 0.4933 0.3848 0.6699 -0.0658 0.0643 -0.0075 38 GLN B N 2400 C CA . GLN B 38 ? 0.4969 0.3827 0.6849 -0.0703 0.0802 0.0070 38 GLN B CA 2401 C C . GLN B 38 ? 0.4639 0.3811 0.6457 -0.0742 0.0676 -0.0001 38 GLN B C 2402 O O . GLN B 38 ? 0.4490 0.3924 0.6406 -0.0792 0.0526 -0.0216 38 GLN B O 2403 C CB . GLN B 38 ? 0.5302 0.3995 0.7697 -0.0860 0.1009 -0.0069 38 GLN B CB 2404 C CG . GLN B 38 ? 0.5841 0.4174 0.8481 -0.0847 0.1205 -0.0046 38 GLN B CG 2405 C CD . GLN B 38 ? 0.6682 0.4835 0.9941 -0.1034 0.1472 -0.0217 38 GLN B CD 2406 O OE1 . GLN B 38 ? 0.6838 0.5246 1.0409 -0.1219 0.1402 -0.0601 38 GLN B OE1 2407 N NE2 . GLN B 38 ? 0.7322 0.5076 1.0798 -0.0980 0.1797 0.0070 38 GLN B NE2 2408 N N . MET B 39 ? 0.4544 0.3736 0.6221 -0.0705 0.0751 0.0182 39 MET B N 2409 C CA . MET B 39 ? 0.4334 0.3775 0.6083 -0.0755 0.0704 0.0111 39 MET B CA 2410 C C . MET B 39 ? 0.4543 0.3925 0.6605 -0.0867 0.0903 0.0131 39 MET B C 2411 O O . MET B 39 ? 0.4861 0.4034 0.6893 -0.0844 0.1104 0.0334 39 MET B O 2412 C CB . MET B 39 ? 0.4167 0.3722 0.5601 -0.0658 0.0660 0.0216 39 MET B CB 2413 C CG . MET B 39 ? 0.4011 0.3599 0.5195 -0.0560 0.0507 0.0196 39 MET B CG 2414 S SD . MET B 39 ? 0.4005 0.3760 0.4979 -0.0496 0.0491 0.0211 39 MET B SD 2415 C CE . MET B 39 ? 0.3628 0.3567 0.4896 -0.0531 0.0470 0.0120 39 MET B CE 2416 N N . LEU B 40 ? 0.4354 0.3964 0.6739 -0.0974 0.0861 -0.0062 40 LEU B N 2417 C CA . LEU B 40 ? 0.4475 0.4051 0.7265 -0.1114 0.1058 -0.0107 40 LEU B CA 2418 C C . LEU B 40 ? 0.4327 0.4148 0.7201 -0.1132 0.1072 -0.0097 40 LEU B C 2419 O O . LEU B 40 ? 0.4064 0.4170 0.6876 -0.1072 0.0897 -0.0163 40 LEU B O 2420 C CB . LEU B 40 ? 0.4455 0.4144 0.7696 -0.1265 0.1038 -0.0418 40 LEU B CB 2421 C CG . LEU B 40 ? 0.4658 0.4159 0.7934 -0.1277 0.1029 -0.0536 40 LEU B CG 2422 C CD1 . LEU B 40 ? 0.4575 0.4430 0.8269 -0.1434 0.0935 -0.0959 40 LEU B CD1 2423 C CD2 . LEU B 40 ? 0.4912 0.3912 0.8324 -0.1285 0.1339 -0.0338 40 LEU B CD2 2424 N N . LYS B 41 ? 0.4482 0.4176 0.7515 -0.1197 0.1315 0.0015 41 LYS B N 2425 C CA . LYS B 41 ? 0.4439 0.4349 0.7668 -0.1247 0.1388 -0.0005 41 LYS B CA 2426 C C . LYS B 41 ? 0.4547 0.4492 0.8355 -0.1432 0.1546 -0.0167 41 LYS B C 2427 O O . LYS B 41 ? 0.4771 0.4412 0.8748 -0.1501 0.1801 -0.0067 41 LYS B O 2428 C CB . LYS B 41 ? 0.4555 0.4358 0.7489 -0.1173 0.1570 0.0240 41 LYS B CB 2429 C CG . LYS B 41 ? 0.4702 0.4722 0.7852 -0.1226 0.1676 0.0203 41 LYS B CG 2430 C CD . LYS B 41 ? 0.5233 0.5242 0.8046 -0.1151 0.1845 0.0392 41 LYS B CD 2431 C CE . LYS B 41 ? 0.5283 0.5502 0.8365 -0.1214 0.1981 0.0327 41 LYS B CE 2432 N NZ . LYS B 41 ? 0.5582 0.5847 0.8359 -0.1162 0.2189 0.0477 41 LYS B NZ 2433 N N . ASN B 42 ? 0.4375 0.4725 0.8523 -0.1502 0.1412 -0.0408 42 ASN B N 2434 C CA . ASN B 42 ? 0.4503 0.5024 0.9272 -0.1703 0.1517 -0.0666 42 ASN B CA 2435 C C . ASN B 42 ? 0.4808 0.5058 0.9795 -0.1819 0.1623 -0.0803 42 ASN B C 2436 O O . ASN B 42 ? 0.5141 0.5193 1.0594 -0.1982 0.1909 -0.0863 42 ASN B O 2437 C CB . ASN B 42 ? 0.4612 0.5074 0.9658 -0.1789 0.1801 -0.0564 42 ASN B CB 2438 C CG . ASN B 42 ? 0.4372 0.5100 0.9265 -0.1680 0.1731 -0.0467 42 ASN B CG 2439 O OD1 . ASN B 42 ? 0.3923 0.5072 0.8901 -0.1622 0.1501 -0.0600 42 ASN B OD1 2440 N ND2 . ASN B 42 ? 0.4347 0.4860 0.9038 -0.1639 0.1952 -0.0227 42 ASN B ND2 2441 N N . GLY B 43 ? 0.4831 0.5046 0.9522 -0.1733 0.1428 -0.0848 43 GLY B N 2442 C CA . GLY B 43 ? 0.5187 0.5160 1.0106 -0.1832 0.1523 -0.1018 43 GLY B CA 2443 C C . GLY B 43 ? 0.5567 0.4924 1.0380 -0.1779 0.1820 -0.0692 43 GLY B C 2444 O O . GLY B 43 ? 0.5843 0.4916 1.0908 -0.1843 0.1966 -0.0786 43 GLY B O 2445 N N . LYS B 44 ? 0.5694 0.4888 1.0155 -0.1647 0.1924 -0.0311 44 LYS B N 2446 C CA . LYS B 44 ? 0.6100 0.4840 1.0357 -0.1528 0.2174 0.0072 44 LYS B CA 2447 C C . LYS B 44 ? 0.6021 0.4762 0.9593 -0.1300 0.1970 0.0304 44 LYS B C 2448 O O . LYS B 44 ? 0.5727 0.4745 0.8941 -0.1225 0.1756 0.0301 44 LYS B O 2449 C CB . LYS B 44 ? 0.6362 0.4985 1.0743 -0.1540 0.2498 0.0345 44 LYS B CB 2450 C CG . LYS B 44 ? 0.6739 0.5280 1.1893 -0.1778 0.2787 0.0144 44 LYS B CG 2451 C CD . LYS B 44 ? 0.7050 0.5676 1.2321 -0.1817 0.3009 0.0309 44 LYS B CD 2452 C CE . LYS B 44 ? 0.7722 0.5937 1.3017 -0.1728 0.3449 0.0775 44 LYS B CE 2453 N NZ . LYS B 44 ? 0.7969 0.6278 1.3475 -0.1799 0.3717 0.0899 44 LYS B NZ 2454 N N . LYS B 45 ? 0.6319 0.4748 0.9785 -0.1195 0.2067 0.0489 45 LYS B N 2455 C CA . LYS B 45 ? 0.6327 0.4760 0.9229 -0.0986 0.1906 0.0693 45 LYS B CA 2456 C C . LYS B 45 ? 0.6339 0.4955 0.8785 -0.0851 0.1914 0.0967 45 LYS B C 2457 O O . LYS B 45 ? 0.6593 0.5133 0.9072 -0.0814 0.2182 0.1239 45 LYS B O 2458 C CB . LYS B 45 ? 0.6706 0.4764 0.9708 -0.0887 0.2110 0.0910 45 LYS B CB 2459 C CG . LYS B 45 ? 0.6900 0.4976 0.9510 -0.0724 0.1898 0.0955 45 LYS B CG 2460 C CD . LYS B 45 ? 0.7749 0.5463 1.0498 -0.0586 0.2145 0.1240 45 LYS B CD 2461 C CE . LYS B 45 ? 0.7997 0.5819 1.0272 -0.0372 0.1944 0.1380 45 LYS B CE 2462 N NZ . LYS B 45 ? 0.8572 0.6052 1.1057 -0.0223 0.2173 0.1631 45 LYS B NZ 2463 N N . ILE B 46 ? 0.6098 0.4982 0.8149 -0.0783 0.1645 0.0876 46 ILE B N 2464 C CA . ILE B 46 ? 0.6154 0.5275 0.7786 -0.0671 0.1641 0.1038 46 ILE B CA 2465 C C . ILE B 46 ? 0.6504 0.5584 0.7802 -0.0478 0.1682 0.1325 46 ILE B C 2466 O O . ILE B 46 ? 0.6494 0.5466 0.7749 -0.0423 0.1553 0.1283 46 ILE B O 2467 C CB . ILE B 46 ? 0.5769 0.5164 0.7225 -0.0685 0.1388 0.0798 46 ILE B CB 2468 C CG1 . ILE B 46 ? 0.5492 0.4978 0.7324 -0.0832 0.1359 0.0572 46 ILE B CG1 2469 C CG2 . ILE B 46 ? 0.5786 0.5457 0.6861 -0.0596 0.1404 0.0873 46 ILE B CG2 2470 C CD1 . ILE B 46 ? 0.4711 0.4407 0.6507 -0.0822 0.1131 0.0374 46 ILE B CD1 2471 N N . PRO B 47 ? 0.6913 0.6128 0.7984 -0.0356 0.1871 0.1633 47 PRO B N 2472 C CA . PRO B 47 ? 0.7264 0.6495 0.8077 -0.0132 0.1943 0.1978 47 PRO B CA 2473 C C . PRO B 47 ? 0.7177 0.6812 0.7504 0.0002 0.1701 0.1930 47 PRO B C 2474 O O . PRO B 47 ? 0.7337 0.6967 0.7538 0.0159 0.1648 0.2083 47 PRO B O 2475 C CB . PRO B 47 ? 0.7723 0.7014 0.8512 -0.0036 0.2270 0.2365 47 PRO B CB 2476 C CG . PRO B 47 ? 0.7517 0.6916 0.8435 -0.0217 0.2324 0.2164 47 PRO B CG 2477 C CD . PRO B 47 ? 0.7053 0.6466 0.8092 -0.0393 0.2039 0.1703 47 PRO B CD 2478 N N . LYS B 48 ? 0.6978 0.6964 0.7098 -0.0063 0.1575 0.1692 48 LYS B N 2479 C CA . LYS B 48 ? 0.6905 0.7305 0.6657 0.0023 0.1375 0.1564 48 LYS B CA 2480 C C . LYS B 48 ? 0.6538 0.6819 0.6412 -0.0092 0.1142 0.1211 48 LYS B C 2481 O O . LYS B 48 ? 0.6363 0.6789 0.6272 -0.0203 0.1074 0.0933 48 LYS B O 2482 C CB . LYS B 48 ? 0.7008 0.7917 0.6491 0.0025 0.1424 0.1483 48 LYS B CB 2483 N N . VAL B 49 ? 0.6362 0.6377 0.6340 -0.0056 0.1054 0.1237 49 VAL B N 2484 C CA . VAL B 49 ? 0.5881 0.5812 0.5953 -0.0140 0.0857 0.0955 49 VAL B CA 2485 C C . VAL B 49 ? 0.5823 0.5958 0.5660 -0.0021 0.0720 0.0942 49 VAL B C 2486 O O . VAL B 49 ? 0.5976 0.6054 0.5751 0.0114 0.0737 0.1151 49 VAL B O 2487 C CB . VAL B 49 ? 0.5839 0.5387 0.6243 -0.0228 0.0841 0.0887 49 VAL B CB 2488 C CG1 . VAL B 49 ? 0.5316 0.4880 0.5753 -0.0275 0.0642 0.0640 49 VAL B CG1 2489 C CG2 . VAL B 49 ? 0.5723 0.5150 0.6421 -0.0360 0.0970 0.0855 49 VAL B CG2 2490 N N . GLU B 50 ? 0.5523 0.5900 0.5290 -0.0073 0.0609 0.0692 50 GLU B N 2491 C CA . GLU B 50 ? 0.5456 0.6065 0.5071 0.0004 0.0484 0.0611 50 GLU B CA 2492 C C . GLU B 50 ? 0.5132 0.5474 0.4906 -0.0035 0.0372 0.0490 50 GLU B C 2493 O O . GLU B 50 ? 0.4902 0.5049 0.4871 -0.0141 0.0362 0.0368 50 GLU B O 2494 C CB . GLU B 50 ? 0.5430 0.6492 0.4939 -0.0041 0.0473 0.0371 50 GLU B CB 2495 C CG . GLU B 50 ? 0.6154 0.7626 0.5426 0.0030 0.0571 0.0489 50 GLU B CG 2496 C CD . GLU B 50 ? 0.6786 0.8655 0.6051 -0.0079 0.0613 0.0164 50 GLU B CD 2497 O OE1 . GLU B 50 ? 0.7041 0.9208 0.6327 -0.0119 0.0538 -0.0122 50 GLU B OE1 2498 O OE2 . GLU B 50 ? 0.7167 0.9058 0.6450 -0.0137 0.0745 0.0169 50 GLU B OE2 2499 N N . MET B 51 ? 0.5120 0.5501 0.4806 0.0072 0.0296 0.0553 51 MET B N 2500 C CA . MET B 51 ? 0.4928 0.5128 0.4718 0.0060 0.0198 0.0447 51 MET B CA 2501 C C . MET B 51 ? 0.4695 0.5215 0.4414 0.0077 0.0118 0.0280 51 MET B C 2502 O O . MET B 51 ? 0.4724 0.5614 0.4283 0.0168 0.0100 0.0316 51 MET B O 2503 C CB . MET B 51 ? 0.5126 0.5098 0.4944 0.0166 0.0207 0.0626 51 MET B CB 2504 C CG . MET B 51 ? 0.5713 0.5356 0.5703 0.0131 0.0331 0.0753 51 MET B CG 2505 S SD . MET B 51 ? 0.6136 0.5558 0.6360 -0.0035 0.0281 0.0518 51 MET B SD 2506 C CE . MET B 51 ? 0.6418 0.5622 0.6880 -0.0118 0.0450 0.0602 51 MET B CE 2507 N N . SER B 52 ? 0.4349 0.4772 0.4212 0.0000 0.0084 0.0105 52 SER B N 2508 C CA . SER B 52 ? 0.4203 0.4854 0.4090 0.0005 0.0039 -0.0055 52 SER B CA 2509 C C . SER B 52 ? 0.4203 0.4793 0.4019 0.0127 -0.0034 0.0068 52 SER B C 2510 O O . SER B 52 ? 0.4159 0.4467 0.3972 0.0174 -0.0026 0.0229 52 SER B O 2511 C CB . SER B 52 ? 0.4062 0.4559 0.4166 -0.0085 0.0077 -0.0198 52 SER B CB 2512 O OG . SER B 52 ? 0.4057 0.4278 0.4183 -0.0048 0.0033 -0.0098 52 SER B OG 2513 N N . ASP B 53 ? 0.4123 0.4986 0.3941 0.0169 -0.0085 -0.0034 53 ASP B N 2514 C CA . ASP B 53 ? 0.4189 0.4974 0.3994 0.0285 -0.0140 0.0065 53 ASP B CA 2515 C C . ASP B 53 ? 0.4185 0.4604 0.4105 0.0228 -0.0129 0.0025 53 ASP B C 2516 O O . ASP B 53 ? 0.4148 0.4521 0.4178 0.0127 -0.0093 -0.0099 53 ASP B O 2517 C CB . ASP B 53 ? 0.4182 0.5382 0.4018 0.0323 -0.0194 -0.0076 53 ASP B CB 2518 C CG . ASP B 53 ? 0.4281 0.6024 0.3987 0.0389 -0.0228 -0.0083 53 ASP B CG 2519 O OD1 . ASP B 53 ? 0.4382 0.6164 0.3925 0.0529 -0.0224 0.0183 53 ASP B OD1 2520 O OD2 . ASP B 53 ? 0.4156 0.6323 0.3952 0.0305 -0.0239 -0.0361 53 ASP B OD2 2521 N N . MET B 54 ? 0.4247 0.4438 0.4165 0.0304 -0.0139 0.0136 54 MET B N 2522 C CA . MET B 54 ? 0.4089 0.4069 0.4081 0.0264 -0.0140 0.0062 54 MET B CA 2523 C C . MET B 54 ? 0.3894 0.4029 0.3936 0.0272 -0.0153 -0.0050 54 MET B C 2524 O O . MET B 54 ? 0.3866 0.4215 0.3912 0.0342 -0.0180 -0.0062 54 MET B O 2525 C CB . MET B 54 ? 0.4222 0.3969 0.4250 0.0326 -0.0124 0.0124 54 MET B CB 2526 C CG . MET B 54 ? 0.4309 0.3945 0.4380 0.0257 -0.0131 0.0001 54 MET B CG 2527 S SD . MET B 54 ? 0.5342 0.4739 0.5533 0.0262 -0.0082 -0.0045 54 MET B SD 2528 C CE . MET B 54 ? 0.4931 0.4173 0.5215 0.0193 -0.0013 0.0038 54 MET B CE 2529 N N . SER B 55 ? 0.3690 0.3749 0.3791 0.0214 -0.0121 -0.0110 55 SER B N 2530 C CA . SER B 55 ? 0.3569 0.3730 0.3764 0.0214 -0.0078 -0.0188 55 SER B CA 2531 C C . SER B 55 ? 0.3464 0.3508 0.3630 0.0236 -0.0060 -0.0158 55 SER B C 2532 O O . SER B 55 ? 0.3602 0.3539 0.3689 0.0240 -0.0101 -0.0133 55 SER B O 2533 C CB . SER B 55 ? 0.3474 0.3746 0.3830 0.0125 0.0013 -0.0268 55 SER B CB 2534 O OG . SER B 55 ? 0.3949 0.4354 0.4477 0.0110 0.0088 -0.0373 55 SER B OG 2535 N N . PHE B 56 ? 0.3261 0.3374 0.3507 0.0250 0.0014 -0.0175 56 PHE B N 2536 C CA . PHE B 56 ? 0.3369 0.3478 0.3551 0.0293 0.0046 -0.0120 56 PHE B CA 2537 C C . PHE B 56 ? 0.3528 0.3701 0.3855 0.0303 0.0200 -0.0046 56 PHE B C 2538 O O . PHE B 56 ? 0.3384 0.3581 0.3918 0.0255 0.0295 -0.0106 56 PHE B O 2539 C CB . PHE B 56 ? 0.3390 0.3503 0.3471 0.0354 -0.0001 -0.0186 56 PHE B CB 2540 C CG . PHE B 56 ? 0.3118 0.3289 0.3287 0.0390 0.0030 -0.0242 56 PHE B CG 2541 C CD1 . PHE B 56 ? 0.2770 0.3040 0.3019 0.0410 0.0141 -0.0233 56 PHE B CD1 2542 C CD2 . PHE B 56 ? 0.2882 0.3044 0.3078 0.0423 -0.0035 -0.0278 56 PHE B CD2 2543 C CE1 . PHE B 56 ? 0.2818 0.3181 0.3191 0.0435 0.0172 -0.0310 56 PHE B CE1 2544 C CE2 . PHE B 56 ? 0.2876 0.3174 0.3178 0.0476 -0.0020 -0.0327 56 PHE B CE2 2545 C CZ . PHE B 56 ? 0.2767 0.3168 0.3167 0.0469 0.0076 -0.0369 56 PHE B CZ 2546 N N . SER B 57 ? 0.3765 0.4011 0.4015 0.0372 0.0243 0.0080 57 SER B N 2547 C CA . SER B 57 ? 0.4028 0.4321 0.4441 0.0423 0.0438 0.0250 57 SER B CA 2548 C C . SER B 57 ? 0.4161 0.4543 0.4561 0.0489 0.0533 0.0275 57 SER B C 2549 O O . SER B 57 ? 0.4218 0.4639 0.4469 0.0495 0.0428 0.0141 57 SER B O 2550 C CB . SER B 57 ? 0.4134 0.4559 0.4465 0.0513 0.0444 0.0448 57 SER B CB 2551 O OG . SER B 57 ? 0.4487 0.4835 0.4867 0.0449 0.0373 0.0421 57 SER B OG 2552 N N . LYS B 58 ? 0.4257 0.4657 0.4853 0.0545 0.0764 0.0462 58 LYS B N 2553 C CA . LYS B 58 ? 0.4464 0.4963 0.5072 0.0621 0.0910 0.0540 58 LYS B CA 2554 C C . LYS B 58 ? 0.4380 0.5120 0.4610 0.0725 0.0780 0.0552 58 LYS B C 2555 O O . LYS B 58 ? 0.4473 0.5294 0.4638 0.0753 0.0814 0.0483 58 LYS B O 2556 C CB . LYS B 58 ? 0.4831 0.5313 0.5711 0.0706 0.1221 0.0839 58 LYS B CB 2557 C CG . LYS B 58 ? 0.5504 0.5970 0.6630 0.0714 0.1476 0.0875 58 LYS B CG 2558 C CD . LYS B 58 ? 0.6326 0.6631 0.7938 0.0734 0.1853 0.1111 58 LYS B CD 2559 C CE . LYS B 58 ? 0.6517 0.6616 0.8430 0.0595 0.1856 0.0961 58 LYS B CE 2560 N NZ . LYS B 58 ? 0.7058 0.6983 0.9446 0.0650 0.2230 0.1230 58 LYS B NZ 2561 N N . ASP B 59 ? 0.4224 0.5121 0.4236 0.0773 0.0641 0.0599 59 ASP B N 2562 C CA . ASP B 59 ? 0.4309 0.5523 0.3994 0.0842 0.0510 0.0516 59 ASP B CA 2563 C C . ASP B 59 ? 0.4100 0.5207 0.3698 0.0732 0.0318 0.0178 59 ASP B C 2564 O O . ASP B 59 ? 0.4132 0.5474 0.3538 0.0748 0.0223 0.0017 59 ASP B O 2565 C CB . ASP B 59 ? 0.4469 0.6038 0.4001 0.0953 0.0460 0.0689 59 ASP B CB 2566 C CG . ASP B 59 ? 0.4473 0.5968 0.4020 0.0852 0.0275 0.0545 59 ASP B CG 2567 O OD1 . ASP B 59 ? 0.4411 0.5560 0.4070 0.0708 0.0204 0.0352 59 ASP B OD1 2568 O OD2 . ASP B 59 ? 0.5034 0.6868 0.4492 0.0931 0.0211 0.0646 59 ASP B OD2 2569 N N . TRP B 60 ? 0.3896 0.4683 0.3668 0.0629 0.0286 0.0070 60 TRP B N 2570 C CA . TRP B 60 ? 0.3817 0.4463 0.3574 0.0564 0.0161 -0.0166 60 TRP B CA 2571 C C . TRP B 60 ? 0.3824 0.4422 0.3538 0.0501 0.0029 -0.0261 60 TRP B C 2572 O O . TRP B 60 ? 0.3814 0.4246 0.3579 0.0456 -0.0027 -0.0413 60 TRP B O 2573 C CB . TRP B 60 ? 0.3856 0.4625 0.3522 0.0611 0.0180 -0.0316 60 TRP B CB 2574 C CG . TRP B 60 ? 0.3750 0.4569 0.3491 0.0667 0.0329 -0.0235 60 TRP B CG 2575 C CD1 . TRP B 60 ? 0.3725 0.4795 0.3365 0.0757 0.0461 -0.0106 60 TRP B CD1 2576 C CD2 . TRP B 60 ? 0.3459 0.4130 0.3417 0.0643 0.0375 -0.0275 60 TRP B CD2 2577 N NE1 . TRP B 60 ? 0.3815 0.4836 0.3625 0.0772 0.0609 -0.0068 60 TRP B NE1 2578 C CE2 . TRP B 60 ? 0.3662 0.4463 0.3680 0.0695 0.0546 -0.0196 60 TRP B CE2 2579 C CE3 . TRP B 60 ? 0.3034 0.3545 0.3143 0.0599 0.0292 -0.0358 60 TRP B CE3 2580 C CZ2 . TRP B 60 ? 0.3554 0.4324 0.3823 0.0675 0.0629 -0.0248 60 TRP B CZ2 2581 C CZ3 . TRP B 60 ? 0.3098 0.3648 0.3414 0.0603 0.0349 -0.0396 60 TRP B CZ3 2582 C CH2 . TRP B 60 ? 0.3623 0.4298 0.4041 0.0626 0.0512 -0.0366 60 TRP B CH2 2583 N N . SER B 61 ? 0.3827 0.4569 0.3497 0.0507 0.0005 -0.0155 61 SER B N 2584 C CA . SER B 61 ? 0.3840 0.4542 0.3530 0.0429 -0.0102 -0.0255 61 SER B CA 2585 C C . SER B 61 ? 0.3707 0.4109 0.3535 0.0362 -0.0101 -0.0191 61 SER B C 2586 O O . SER B 61 ? 0.3569 0.3902 0.3484 0.0373 -0.0023 -0.0063 61 SER B O 2587 C CB . SER B 61 ? 0.4016 0.5071 0.3629 0.0469 -0.0146 -0.0188 61 SER B CB 2588 O OG . SER B 61 ? 0.3975 0.5061 0.3648 0.0542 -0.0060 0.0092 61 SER B OG 2589 N N . PHE B 62 ? 0.3768 0.4023 0.3646 0.0290 -0.0163 -0.0301 62 PHE B N 2590 C CA . PHE B 62 ? 0.3774 0.3809 0.3738 0.0242 -0.0161 -0.0242 62 PHE B CA 2591 C C . PHE B 62 ? 0.3891 0.3969 0.3898 0.0199 -0.0169 -0.0159 62 PHE B C 2592 O O . PHE B 62 ? 0.3802 0.4071 0.3795 0.0200 -0.0202 -0.0171 62 PHE B O 2593 C CB . PHE B 62 ? 0.3827 0.3669 0.3857 0.0214 -0.0172 -0.0337 62 PHE B CB 2594 C CG . PHE B 62 ? 0.3930 0.3703 0.3980 0.0281 -0.0141 -0.0389 62 PHE B CG 2595 C CD1 . PHE B 62 ? 0.3853 0.3692 0.3907 0.0290 -0.0124 -0.0559 62 PHE B CD1 2596 C CD2 . PHE B 62 ? 0.3642 0.3355 0.3720 0.0341 -0.0127 -0.0289 62 PHE B CD2 2597 C CE1 . PHE B 62 ? 0.4251 0.4013 0.4365 0.0359 -0.0074 -0.0612 62 PHE B CE1 2598 C CE2 . PHE B 62 ? 0.3861 0.3551 0.3994 0.0425 -0.0098 -0.0318 62 PHE B CE2 2599 C CZ . PHE B 62 ? 0.3860 0.3536 0.4023 0.0436 -0.0062 -0.0471 62 PHE B CZ 2600 N N . TYR B 63 ? 0.3914 0.3875 0.3981 0.0168 -0.0137 -0.0092 63 TYR B N 2601 C CA . TYR B 63 ? 0.3970 0.3938 0.4109 0.0121 -0.0123 -0.0034 63 TYR B CA 2602 C C . TYR B 63 ? 0.4053 0.3899 0.4209 0.0076 -0.0109 -0.0033 63 TYR B C 2603 O O . TYR B 63 ? 0.4121 0.3948 0.4238 0.0103 -0.0109 -0.0046 63 TYR B O 2604 C CB . TYR B 63 ? 0.3910 0.3975 0.4141 0.0156 -0.0035 0.0070 63 TYR B CB 2605 C CG . TYR B 63 ? 0.3850 0.3868 0.4180 0.0149 0.0065 0.0061 63 TYR B CG 2606 C CD1 . TYR B 63 ? 0.3881 0.3863 0.4312 0.0077 0.0112 -0.0001 63 TYR B CD1 2607 C CD2 . TYR B 63 ? 0.3758 0.3825 0.4113 0.0205 0.0131 0.0085 63 TYR B CD2 2608 C CE1 . TYR B 63 ? 0.3826 0.3856 0.4410 0.0042 0.0212 -0.0091 63 TYR B CE1 2609 C CE2 . TYR B 63 ? 0.4015 0.4071 0.4546 0.0172 0.0248 0.0031 63 TYR B CE2 2610 C CZ . TYR B 63 ? 0.4293 0.4346 0.4955 0.0082 0.0283 -0.0083 63 TYR B CZ 2611 O OH . TYR B 63 ? 0.4656 0.4782 0.5544 0.0023 0.0401 -0.0220 63 TYR B OH 2612 N N . ILE B 64 ? 0.4086 0.3912 0.4296 0.0021 -0.0096 -0.0008 64 ILE B N 2613 C CA . ILE B 64 ? 0.4139 0.3920 0.4334 -0.0008 -0.0066 0.0013 64 ILE B CA 2614 C C . ILE B 64 ? 0.4093 0.3900 0.4386 -0.0069 -0.0019 0.0032 64 ILE B C 2615 O O . ILE B 64 ? 0.4120 0.3955 0.4496 -0.0085 -0.0037 0.0039 64 ILE B O 2616 C CB . ILE B 64 ? 0.4314 0.3964 0.4464 0.0013 -0.0077 0.0048 64 ILE B CB 2617 C CG1 . ILE B 64 ? 0.4407 0.4092 0.4497 0.0030 -0.0032 0.0140 64 ILE B CG1 2618 C CG2 . ILE B 64 ? 0.4254 0.3807 0.4512 -0.0041 -0.0077 0.0000 64 ILE B CG2 2619 C CD1 . ILE B 64 ? 0.4781 0.4368 0.4843 0.0120 -0.0004 0.0259 64 ILE B CD1 2620 N N . LEU B 65 ? 0.4023 0.3887 0.4318 -0.0099 0.0038 0.0019 65 LEU B N 2621 C CA . LEU B 65 ? 0.3860 0.3754 0.4265 -0.0157 0.0110 0.0016 65 LEU B CA 2622 C C . LEU B 65 ? 0.3980 0.3868 0.4298 -0.0182 0.0134 0.0061 65 LEU B C 2623 O O . LEU B 65 ? 0.4039 0.4038 0.4217 -0.0152 0.0141 0.0068 65 LEU B O 2624 C CB . LEU B 65 ? 0.3766 0.3765 0.4300 -0.0186 0.0210 -0.0080 65 LEU B CB 2625 C CG . LEU B 65 ? 0.3621 0.3657 0.4310 -0.0247 0.0319 -0.0117 65 LEU B CG 2626 C CD1 . LEU B 65 ? 0.3583 0.3556 0.4444 -0.0220 0.0332 -0.0011 65 LEU B CD1 2627 C CD2 . LEU B 65 ? 0.3199 0.3346 0.4061 -0.0299 0.0452 -0.0289 65 LEU B CD2 2628 N N . ALA B 66 ? 0.3956 0.3767 0.4368 -0.0226 0.0156 0.0103 66 ALA B N 2629 C CA . ALA B 66 ? 0.4033 0.3828 0.4415 -0.0254 0.0232 0.0173 66 ALA B CA 2630 C C . ALA B 66 ? 0.4000 0.3907 0.4497 -0.0313 0.0313 0.0114 66 ALA B C 2631 O O . ALA B 66 ? 0.3910 0.3832 0.4587 -0.0326 0.0311 0.0069 66 ALA B O 2632 C CB . ALA B 66 ? 0.4049 0.3678 0.4559 -0.0290 0.0247 0.0220 66 ALA B CB 2633 N N . HIS B 67 ? 0.4061 0.4080 0.4465 -0.0327 0.0401 0.0131 67 HIS B N 2634 C CA . HIS B 67 ? 0.4108 0.4224 0.4649 -0.0393 0.0508 0.0056 67 HIS B CA 2635 C C . HIS B 67 ? 0.4343 0.4547 0.4761 -0.0401 0.0610 0.0145 67 HIS B C 2636 O O . HIS B 67 ? 0.4385 0.4638 0.4583 -0.0330 0.0605 0.0274 67 HIS B O 2637 C CB . HIS B 67 ? 0.4014 0.4290 0.4626 -0.0414 0.0558 -0.0130 67 HIS B CB 2638 C CG . HIS B 67 ? 0.4204 0.4759 0.4601 -0.0406 0.0573 -0.0231 67 HIS B CG 2639 N ND1 . HIS B 67 ? 0.4388 0.5034 0.4614 -0.0342 0.0472 -0.0224 67 HIS B ND1 2640 C CD2 . HIS B 67 ? 0.4583 0.5437 0.4911 -0.0446 0.0673 -0.0362 67 HIS B CD2 2641 C CE1 . HIS B 67 ? 0.4407 0.5436 0.4469 -0.0335 0.0492 -0.0338 67 HIS B CE1 2642 N NE2 . HIS B 67 ? 0.4757 0.5937 0.4862 -0.0401 0.0613 -0.0436 67 HIS B NE2 2643 N N . THR B 68 ? 0.4388 0.4630 0.4965 -0.0468 0.0719 0.0105 68 THR B N 2644 C CA . THR B 68 ? 0.4587 0.4937 0.5074 -0.0482 0.0855 0.0192 68 THR B CA 2645 C C . THR B 68 ? 0.4698 0.5175 0.5374 -0.0558 0.0978 0.0040 68 THR B C 2646 O O . THR B 68 ? 0.4382 0.4781 0.5343 -0.0589 0.0967 -0.0060 68 THR B O 2647 C CB . THR B 68 ? 0.4704 0.4822 0.5304 -0.0494 0.0899 0.0381 68 THR B CB 2648 O OG1 . THR B 68 ? 0.5073 0.5284 0.5545 -0.0472 0.1064 0.0544 68 THR B OG1 2649 C CG2 . THR B 68 ? 0.4352 0.4371 0.5311 -0.0582 0.0897 0.0299 68 THR B CG2 2650 N N . GLU B 69 ? 0.4978 0.5685 0.5505 -0.0567 0.1113 0.0043 69 GLU B N 2651 C CA . GLU B 69 ? 0.5178 0.6013 0.5891 -0.0641 0.1267 -0.0102 69 GLU B CA 2652 C C . GLU B 69 ? 0.5156 0.5782 0.6148 -0.0684 0.1322 0.0023 69 GLU B C 2653 O O . GLU B 69 ? 0.5276 0.5764 0.6225 -0.0672 0.1328 0.0225 69 GLU B O 2654 C CB . GLU B 69 ? 0.5525 0.6737 0.5951 -0.0630 0.1401 -0.0125 69 GLU B CB 2655 C CG . GLU B 69 ? 0.6014 0.7614 0.6175 -0.0599 0.1350 -0.0317 69 GLU B CG 2656 C CD . GLU B 69 ? 0.7012 0.9141 0.6855 -0.0571 0.1474 -0.0352 69 GLU B CD 2657 O OE1 . GLU B 69 ? 0.7415 1.0006 0.7097 -0.0575 0.1447 -0.0618 69 GLU B OE1 2658 O OE2 . GLU B 69 ? 0.7267 0.9405 0.7032 -0.0547 0.1609 -0.0133 69 GLU B OE2 2659 N N . PHE B 70 ? 0.4998 0.5619 0.6333 -0.0732 0.1384 -0.0103 70 PHE B N 2660 C CA . PHE B 70 ? 0.4934 0.5479 0.6582 -0.0776 0.1440 -0.0027 70 PHE B CA 2661 C C . PHE B 70 ? 0.4940 0.5613 0.6889 -0.0809 0.1593 -0.0171 70 PHE B C 2662 O O . PHE B 70 ? 0.4835 0.5566 0.6867 -0.0793 0.1633 -0.0336 70 PHE B O 2663 C CB . PHE B 70 ? 0.4726 0.5127 0.6584 -0.0758 0.1268 0.0030 70 PHE B CB 2664 C CG . PHE B 70 ? 0.4458 0.4911 0.6605 -0.0706 0.1212 -0.0042 70 PHE B CG 2665 C CD1 . PHE B 70 ? 0.4264 0.4810 0.6766 -0.0695 0.1169 -0.0009 70 PHE B CD1 2666 C CD2 . PHE B 70 ? 0.4243 0.4688 0.6344 -0.0654 0.1217 -0.0127 70 PHE B CD2 2667 C CE1 . PHE B 70 ? 0.4164 0.4814 0.6932 -0.0593 0.1131 0.0006 70 PHE B CE1 2668 C CE2 . PHE B 70 ? 0.4064 0.4524 0.6482 -0.0575 0.1220 -0.0121 70 PHE B CE2 2669 C CZ . PHE B 70 ? 0.3876 0.4445 0.6605 -0.0522 0.1175 -0.0019 70 PHE B CZ 2670 N N . THR B 71 ? 0.5082 0.5790 0.7243 -0.0860 0.1709 -0.0119 71 THR B N 2671 C CA . THR B 71 ? 0.5090 0.5913 0.7626 -0.0880 0.1858 -0.0231 71 THR B CA 2672 C C . THR B 71 ? 0.4964 0.5785 0.7917 -0.0871 0.1779 -0.0154 71 THR B C 2673 O O . THR B 71 ? 0.5137 0.5968 0.8189 -0.0937 0.1801 -0.0080 71 THR B O 2674 C CB . THR B 71 ? 0.5301 0.6281 0.7750 -0.0943 0.2089 -0.0268 71 THR B CB 2675 O OG1 . THR B 71 ? 0.5445 0.6576 0.7486 -0.0935 0.2136 -0.0370 71 THR B OG1 2676 C CG2 . THR B 71 ? 0.5307 0.6401 0.8187 -0.0962 0.2261 -0.0407 71 THR B CG2 2677 N N . PRO B 72 ? 0.4816 0.5671 0.8042 -0.0781 0.1700 -0.0169 72 PRO B N 2678 C CA . PRO B 72 ? 0.4703 0.5716 0.8326 -0.0737 0.1607 -0.0097 72 PRO B CA 2679 C C . PRO B 72 ? 0.4800 0.5990 0.8815 -0.0775 0.1783 -0.0133 72 PRO B C 2680 O O . PRO B 72 ? 0.4922 0.6112 0.9033 -0.0778 0.1992 -0.0220 72 PRO B O 2681 C CB . PRO B 72 ? 0.4568 0.5613 0.8354 -0.0582 0.1539 -0.0044 72 PRO B CB 2682 C CG . PRO B 72 ? 0.4654 0.5536 0.8329 -0.0585 0.1706 -0.0157 72 PRO B CG 2683 C CD . PRO B 72 ? 0.4755 0.5547 0.7969 -0.0705 0.1717 -0.0242 72 PRO B CD 2684 N N . THR B 73 ? 0.4741 0.6109 0.9009 -0.0820 0.1708 -0.0106 73 THR B N 2685 C CA . THR B 73 ? 0.4757 0.6352 0.9464 -0.0857 0.1846 -0.0141 73 THR B CA 2686 C C . THR B 73 ? 0.4621 0.6587 0.9725 -0.0775 0.1656 -0.0112 73 THR B C 2687 O O . THR B 73 ? 0.4559 0.6589 0.9532 -0.0706 0.1435 -0.0071 73 THR B O 2688 C CB . THR B 73 ? 0.4908 0.6433 0.9568 -0.1033 0.1981 -0.0169 73 THR B CB 2689 O OG1 . THR B 73 ? 0.4884 0.6388 0.9517 -0.1107 0.1824 -0.0167 73 THR B OG1 2690 C CG2 . THR B 73 ? 0.5019 0.6299 0.9217 -0.1078 0.2154 -0.0150 73 THR B CG2 2691 N N . GLU B 74 ? 0.4617 0.6896 1.0201 -0.0776 0.1739 -0.0141 74 GLU B N 2692 C CA . GLU B 74 ? 0.4536 0.7328 1.0530 -0.0700 0.1553 -0.0139 74 GLU B CA 2693 C C . GLU B 74 ? 0.4546 0.7471 1.0507 -0.0856 0.1380 -0.0274 74 GLU B C 2694 O O . GLU B 74 ? 0.4452 0.7795 1.0531 -0.0781 0.1142 -0.0304 74 GLU B O 2695 C CB . GLU B 74 ? 0.4534 0.7665 1.1087 -0.0681 0.1703 -0.0163 74 GLU B CB 2696 N N . THR B 75 ? 0.4652 0.7250 1.0475 -0.1063 0.1522 -0.0357 75 THR B N 2697 C CA . THR B 75 ? 0.4707 0.7409 1.0689 -0.1242 0.1452 -0.0525 75 THR B CA 2698 C C . THR B 75 ? 0.4690 0.7031 1.0250 -0.1296 0.1366 -0.0531 75 THR B C 2699 O O . THR B 75 ? 0.4760 0.7289 1.0489 -0.1393 0.1240 -0.0709 75 THR B O 2700 C CB . THR B 75 ? 0.4853 0.7491 1.1170 -0.1446 0.1717 -0.0611 75 THR B CB 2701 O OG1 . THR B 75 ? 0.5053 0.7256 1.1043 -0.1446 0.1966 -0.0453 75 THR B OG1 2702 C CG2 . THR B 75 ? 0.4947 0.8141 1.1867 -0.1435 0.1728 -0.0709 75 THR B CG2 2703 N N . ASP B 76 ? 0.4590 0.6471 0.9650 -0.1240 0.1441 -0.0373 76 ASP B N 2704 C CA . ASP B 76 ? 0.4537 0.6057 0.9216 -0.1281 0.1401 -0.0347 76 ASP B CA 2705 C C . ASP B 76 ? 0.4356 0.6025 0.8876 -0.1173 0.1124 -0.0383 76 ASP B C 2706 O O . ASP B 76 ? 0.4231 0.6078 0.8687 -0.1006 0.1014 -0.0303 76 ASP B O 2707 C CB . ASP B 76 ? 0.4601 0.5718 0.8795 -0.1231 0.1545 -0.0172 76 ASP B CB 2708 C CG . ASP B 76 ? 0.4866 0.5851 0.9114 -0.1324 0.1840 -0.0100 76 ASP B CG 2709 O OD1 . ASP B 76 ? 0.5080 0.6028 0.9635 -0.1465 0.1979 -0.0133 76 ASP B OD1 2710 O OD2 . ASP B 76 ? 0.4973 0.5910 0.8973 -0.1259 0.1959 -0.0023 76 ASP B OD2 2711 N N . THR B 77 ? 0.4361 0.5946 0.8841 -0.1259 0.1047 -0.0492 77 THR B N 2712 C CA . THR B 77 ? 0.4199 0.5913 0.8464 -0.1158 0.0804 -0.0527 77 THR B CA 2713 C C . THR B 77 ? 0.4199 0.5431 0.7990 -0.1127 0.0822 -0.0412 77 THR B C 2714 O O . THR B 77 ? 0.4379 0.5246 0.8104 -0.1222 0.0992 -0.0371 77 THR B O 2715 C CB . THR B 77 ? 0.4197 0.6327 0.8791 -0.1261 0.0659 -0.0809 77 THR B CB 2716 O OG1 . THR B 77 ? 0.4552 0.6329 0.9223 -0.1443 0.0798 -0.0935 77 THR B OG1 2717 C CG2 . THR B 77 ? 0.4182 0.6890 0.9316 -0.1315 0.0645 -0.0966 77 THR B CG2 2718 N N . TYR B 78 ? 0.3954 0.5224 0.7452 -0.0976 0.0660 -0.0338 78 TYR B N 2719 C CA . TYR B 78 ? 0.3988 0.4900 0.7063 -0.0927 0.0640 -0.0249 78 TYR B CA 2720 C C . TYR B 78 ? 0.3941 0.5033 0.6946 -0.0882 0.0437 -0.0349 78 TYR B C 2721 O O . TYR B 78 ? 0.3850 0.5390 0.7000 -0.0804 0.0290 -0.0399 78 TYR B O 2722 C CB . TYR B 78 ? 0.3808 0.4580 0.6610 -0.0805 0.0685 -0.0090 78 TYR B CB 2723 C CG . TYR B 78 ? 0.4018 0.4657 0.6839 -0.0859 0.0899 -0.0034 78 TYR B CG 2724 C CD1 . TYR B 78 ? 0.3894 0.4735 0.6998 -0.0849 0.0987 -0.0042 78 TYR B CD1 2725 C CD2 . TYR B 78 ? 0.4253 0.4615 0.6826 -0.0906 0.1029 0.0041 78 TYR B CD2 2726 C CE1 . TYR B 78 ? 0.4064 0.4818 0.7175 -0.0905 0.1200 -0.0016 78 TYR B CE1 2727 C CE2 . TYR B 78 ? 0.4382 0.4706 0.6928 -0.0941 0.1234 0.0106 78 TYR B CE2 2728 C CZ . TYR B 78 ? 0.4370 0.4885 0.7176 -0.0953 0.1320 0.0055 78 TYR B CZ 2729 O OH . TYR B 78 ? 0.4617 0.5126 0.7376 -0.0990 0.1538 0.0098 78 TYR B OH 2730 N N . ALA B 79 ? 0.3945 0.4739 0.6740 -0.0915 0.0442 -0.0367 79 ALA B N 2731 C CA . ALA B 79 ? 0.3900 0.4845 0.6640 -0.0899 0.0281 -0.0507 79 ALA B CA 2732 C C . ALA B 79 ? 0.3948 0.4492 0.6356 -0.0860 0.0304 -0.0422 79 ALA B C 2733 O O . ALA B 79 ? 0.4055 0.4241 0.6324 -0.0865 0.0450 -0.0275 79 ALA B O 2734 C CB . ALA B 79 ? 0.4003 0.5170 0.7146 -0.1069 0.0287 -0.0804 79 ALA B CB 2735 N N . CYS B 80 ? 0.3881 0.4552 0.6158 -0.0805 0.0160 -0.0508 80 CYS B N 2736 C CA . CYS B 80 ? 0.3985 0.4333 0.5996 -0.0762 0.0169 -0.0456 80 CYS B CA 2737 C C . CYS B 80 ? 0.4093 0.4549 0.6272 -0.0847 0.0124 -0.0719 80 CYS B C 2738 O O . CYS B 80 ? 0.4040 0.4957 0.6289 -0.0838 -0.0025 -0.0893 80 CYS B O 2739 C CB . CYS B 80 ? 0.3749 0.4152 0.5444 -0.0604 0.0064 -0.0313 80 CYS B CB 2740 S SG . CYS B 80 ? 0.4107 0.4172 0.5492 -0.0541 0.0074 -0.0240 80 CYS B SG 2741 N N . ARG B 81 ? 0.4284 0.4360 0.6561 -0.0921 0.0275 -0.0750 81 ARG B N 2742 C CA . ARG B 81 ? 0.4473 0.4570 0.7021 -0.1035 0.0307 -0.1054 81 ARG B CA 2743 C C . ARG B 81 ? 0.4512 0.4348 0.6826 -0.0943 0.0303 -0.1003 81 ARG B C 2744 O O . ARG B 81 ? 0.4537 0.3998 0.6656 -0.0848 0.0398 -0.0729 81 ARG B O 2745 C CB . ARG B 81 ? 0.4728 0.4565 0.7751 -0.1208 0.0561 -0.1155 81 ARG B CB 2746 C CG . ARG B 81 ? 0.5028 0.4876 0.8474 -0.1367 0.0653 -0.1551 81 ARG B CG 2747 C CD . ARG B 81 ? 0.5601 0.5324 0.9682 -0.1586 0.0920 -0.1745 81 ARG B CD 2748 N NE . ARG B 81 ? 0.5744 0.6005 1.0017 -0.1683 0.0801 -0.1929 81 ARG B NE 2749 C CZ . ARG B 81 ? 0.6024 0.6308 1.0807 -0.1860 0.0986 -0.2062 81 ARG B CZ 2750 N NH1 . ARG B 81 ? 0.6166 0.5917 1.1362 -0.1973 0.1344 -0.2018 81 ARG B NH1 2751 N NH2 . ARG B 81 ? 0.5820 0.6690 1.0739 -0.1912 0.0831 -0.2221 81 ARG B NH2 2752 N N . VAL B 82 ? 0.4529 0.4632 0.6868 -0.0965 0.0195 -0.1280 82 VAL B N 2753 C CA . VAL B 82 ? 0.4572 0.4497 0.6692 -0.0870 0.0177 -0.1258 82 VAL B CA 2754 C C . VAL B 82 ? 0.4822 0.4737 0.7272 -0.0993 0.0269 -0.1634 82 VAL B C 2755 O O . VAL B 82 ? 0.4838 0.5238 0.7459 -0.1098 0.0176 -0.2007 82 VAL B O 2756 C CB . VAL B 82 ? 0.4402 0.4662 0.6109 -0.0716 -0.0038 -0.1164 82 VAL B CB 2757 C CG1 . VAL B 82 ? 0.4388 0.4504 0.5917 -0.0637 -0.0044 -0.1188 82 VAL B CG1 2758 C CG2 . VAL B 82 ? 0.3924 0.4096 0.5379 -0.0602 -0.0066 -0.0820 82 VAL B CG2 2759 N N . LYS B 83 ? 0.5086 0.4493 0.7659 -0.0973 0.0467 -0.1546 83 LYS B N 2760 C CA . LYS B 83 ? 0.5362 0.4675 0.8274 -0.1067 0.0599 -0.1894 83 LYS B CA 2761 C C . LYS B 83 ? 0.5309 0.4584 0.7872 -0.0907 0.0508 -0.1813 83 LYS B C 2762 O O . LYS B 83 ? 0.5190 0.4190 0.7461 -0.0738 0.0506 -0.1428 83 LYS B O 2763 C CB . LYS B 83 ? 0.5745 0.4492 0.9155 -0.1139 0.0948 -0.1842 83 LYS B CB 2764 N N . HIS B 84 ? 0.5364 0.5000 0.7961 -0.0965 0.0426 -0.2202 84 HIS B N 2765 C CA . HIS B 84 ? 0.5380 0.5047 0.7684 -0.0833 0.0352 -0.2186 84 HIS B CA 2766 C C . HIS B 84 ? 0.5658 0.5558 0.8266 -0.0967 0.0420 -0.2727 84 HIS B C 2767 O O . HIS B 84 ? 0.5754 0.6081 0.8632 -0.1145 0.0398 -0.3140 84 HIS B O 2768 C CB . HIS B 84 ? 0.5097 0.5188 0.6877 -0.0697 0.0091 -0.1999 84 HIS B CB 2769 C CG . HIS B 84 ? 0.5176 0.5232 0.6655 -0.0548 0.0046 -0.1895 84 HIS B CG 2770 N ND1 . HIS B 84 ? 0.5293 0.5763 0.6667 -0.0544 -0.0027 -0.2179 84 HIS B ND1 2771 C CD2 . HIS B 84 ? 0.4982 0.4683 0.6271 -0.0403 0.0078 -0.1564 84 HIS B CD2 2772 C CE1 . HIS B 84 ? 0.5189 0.5507 0.6330 -0.0405 -0.0027 -0.2006 84 HIS B CE1 2773 N NE2 . HIS B 84 ? 0.5242 0.5106 0.6345 -0.0322 0.0029 -0.1646 84 HIS B NE2 2774 N N . ALA B 85 ? 0.5758 0.5433 0.8357 -0.0889 0.0510 -0.2762 85 ALA B N 2775 C CA . ALA B 85 ? 0.6134 0.5953 0.9101 -0.1026 0.0639 -0.3314 85 ALA B CA 2776 C C . ALA B 85 ? 0.6121 0.6781 0.8861 -0.1086 0.0415 -0.3714 85 ALA B C 2777 O O . ALA B 85 ? 0.6372 0.7365 0.9469 -0.1266 0.0495 -0.4296 85 ALA B O 2778 C CB . ALA B 85 ? 0.6288 0.5676 0.9307 -0.0903 0.0800 -0.3233 85 ALA B CB 2779 N N . SER B 86 ? 0.5912 0.6951 0.8091 -0.0929 0.0157 -0.3402 86 SER B N 2780 C CA . SER B 86 ? 0.5925 0.7843 0.7815 -0.0914 -0.0061 -0.3639 86 SER B CA 2781 C C . SER B 86 ? 0.5986 0.8475 0.8127 -0.1077 -0.0141 -0.3964 86 SER B C 2782 O O . SER B 86 ? 0.6136 0.9487 0.8160 -0.1094 -0.0298 -0.4287 86 SER B O 2783 C CB . SER B 86 ? 0.5655 0.7739 0.6966 -0.0677 -0.0248 -0.3130 86 SER B CB 2784 O OG . SER B 86 ? 0.5486 0.7352 0.6752 -0.0637 -0.0295 -0.2741 86 SER B OG 2785 N N . MET B 87 ? 0.5961 0.8033 0.8457 -0.1189 -0.0028 -0.3880 87 MET B N 2786 C CA . MET B 87 ? 0.5924 0.8499 0.8724 -0.1353 -0.0086 -0.4167 87 MET B CA 2787 C C . MET B 87 ? 0.6211 0.8479 0.9739 -0.1626 0.0189 -0.4637 87 MET B C 2788 O O . MET B 87 ? 0.6309 0.7733 1.0100 -0.1640 0.0447 -0.4433 87 MET B O 2789 C CB . MET B 87 ? 0.5612 0.8021 0.8250 -0.1257 -0.0169 -0.3664 87 MET B CB 2790 C CG . MET B 87 ? 0.5323 0.8020 0.7362 -0.1001 -0.0390 -0.3216 87 MET B CG 2791 S SD . MET B 87 ? 0.5372 0.7892 0.7291 -0.0899 -0.0450 -0.2690 87 MET B SD 2792 C CE . MET B 87 ? 0.4847 0.6316 0.6879 -0.0921 -0.0214 -0.2380 87 MET B CE 2793 N N . ALA B 88 ? 0.6372 0.9372 1.0259 -0.1835 0.0154 -0.5265 88 ALA B N 2794 C CA . ALA B 88 ? 0.6683 0.9471 1.1387 -0.2140 0.0448 -0.5796 88 ALA B CA 2795 C C . ALA B 88 ? 0.6581 0.8806 1.1586 -0.2194 0.0597 -0.5457 88 ALA B C 2796 O O . ALA B 88 ? 0.6838 0.8347 1.2415 -0.2329 0.0950 -0.5502 88 ALA B O 2797 C CB . ALA B 88 ? 0.6815 1.0680 1.1837 -0.2363 0.0340 -0.6584 88 ALA B CB 2798 N N . GLU B 89 ? 0.6268 0.8816 1.0897 -0.2070 0.0354 -0.5087 89 GLU B N 2799 C CA . GLU B 89 ? 0.6227 0.8409 1.1112 -0.2127 0.0467 -0.4813 89 GLU B CA 2800 C C . GLU B 89 ? 0.5870 0.7718 1.0138 -0.1854 0.0329 -0.4073 89 GLU B C 2801 O O . GLU B 89 ? 0.5682 0.7872 0.9377 -0.1650 0.0079 -0.3856 89 GLU B O 2802 C CB . GLU B 89 ? 0.6238 0.9286 1.1435 -0.2295 0.0329 -0.5221 89 GLU B CB 2803 C CG . GLU B 89 ? 0.6804 1.0264 1.2752 -0.2627 0.0493 -0.6061 89 GLU B CG 2804 C CD . GLU B 89 ? 0.7435 1.0185 1.4197 -0.2878 0.0915 -0.6195 89 GLU B CD 2805 O OE1 . GLU B 89 ? 0.7862 1.0833 1.5370 -0.3182 0.1128 -0.6911 89 GLU B OE1 2806 O OE2 . GLU B 89 ? 0.7450 0.9458 1.4137 -0.2775 0.1057 -0.5603 89 GLU B OE2 2807 N N . PRO B 90 ? 0.5844 0.7049 1.0253 -0.1852 0.0517 -0.3695 90 PRO B N 2808 C CA . PRO B 90 ? 0.5536 0.6526 0.9420 -0.1630 0.0395 -0.3081 90 PRO B CA 2809 C C . PRO B 90 ? 0.5248 0.6976 0.8880 -0.1556 0.0106 -0.3050 90 PRO B C 2810 O O . PRO B 90 ? 0.5381 0.7687 0.9366 -0.1706 0.0054 -0.3412 90 PRO B O 2811 C CB . PRO B 90 ? 0.5674 0.6066 0.9892 -0.1704 0.0671 -0.2844 90 PRO B CB 2812 C CG . PRO B 90 ? 0.6033 0.6050 1.0871 -0.1889 0.0994 -0.3173 90 PRO B CG 2813 C CD . PRO B 90 ? 0.6127 0.6818 1.1220 -0.2058 0.0880 -0.3829 90 PRO B CD 2814 N N . LYS B 91 ? 0.4960 0.6695 0.8036 -0.1321 -0.0060 -0.2628 91 LYS B N 2815 C CA . LYS B 91 ? 0.4702 0.7036 0.7544 -0.1191 -0.0285 -0.2474 91 LYS B CA 2816 C C . LYS B 91 ? 0.4473 0.6430 0.7272 -0.1135 -0.0214 -0.2071 91 LYS B C 2817 O O . LYS B 91 ? 0.4338 0.5687 0.6921 -0.1056 -0.0108 -0.1745 91 LYS B O 2818 C CB . LYS B 91 ? 0.4627 0.7196 0.6952 -0.0963 -0.0458 -0.2265 91 LYS B CB 2819 C CG . LYS B 91 ? 0.4658 0.8014 0.6813 -0.0802 -0.0671 -0.2155 91 LYS B CG 2820 C CD . LYS B 91 ? 0.4863 0.8290 0.6532 -0.0556 -0.0760 -0.1838 91 LYS B CD 2821 N N . THR B 92 ? 0.4412 0.6803 0.7433 -0.1174 -0.0271 -0.2123 92 THR B N 2822 C CA . THR B 92 ? 0.4276 0.6421 0.7297 -0.1127 -0.0202 -0.1794 92 THR B CA 2823 C C . THR B 92 ? 0.4036 0.6704 0.6853 -0.0928 -0.0386 -0.1579 92 THR B C 2824 O O . THR B 92 ? 0.4051 0.7469 0.6998 -0.0905 -0.0543 -0.1768 92 THR B O 2825 C CB . THR B 92 ? 0.4414 0.6552 0.7970 -0.1345 -0.0046 -0.2008 92 THR B CB 2826 O OG1 . THR B 92 ? 0.4730 0.6344 0.8542 -0.1509 0.0182 -0.2170 92 THR B OG1 2827 C CG2 . THR B 92 ? 0.4348 0.6220 0.7888 -0.1296 0.0052 -0.1669 92 THR B CG2 2828 N N . VAL B 93 ? 0.3871 0.6181 0.6400 -0.0774 -0.0350 -0.1186 93 VAL B N 2829 C CA . VAL B 93 ? 0.3734 0.6401 0.6171 -0.0577 -0.0439 -0.0926 93 VAL B CA 2830 C C . VAL B 93 ? 0.3697 0.6065 0.6287 -0.0604 -0.0298 -0.0749 93 VAL B C 2831 O O . VAL B 93 ? 0.3647 0.5428 0.6106 -0.0643 -0.0156 -0.0623 93 VAL B O 2832 C CB . VAL B 93 ? 0.3654 0.6194 0.5698 -0.0374 -0.0476 -0.0654 93 VAL B CB 2833 C CG1 . VAL B 93 ? 0.3502 0.6210 0.5552 -0.0174 -0.0461 -0.0324 93 VAL B CG1 2834 C CG2 . VAL B 93 ? 0.3736 0.6730 0.5627 -0.0316 -0.0621 -0.0812 93 VAL B CG2 2835 N N . TYR B 94 ? 0.3733 0.6578 0.6604 -0.0574 -0.0338 -0.0752 94 TYR B N 2836 C CA . TYR B 94 ? 0.3771 0.6427 0.6834 -0.0593 -0.0198 -0.0612 94 TYR B CA 2837 C C . TYR B 94 ? 0.3764 0.6323 0.6685 -0.0382 -0.0154 -0.0275 94 TYR B C 2838 O O . TYR B 94 ? 0.3685 0.6605 0.6535 -0.0183 -0.0251 -0.0121 94 TYR B O 2839 C CB . TYR B 94 ? 0.3791 0.7031 0.7298 -0.0661 -0.0244 -0.0793 94 TYR B CB 2840 C CG . TYR B 94 ? 0.4046 0.7283 0.7847 -0.0925 -0.0195 -0.1166 94 TYR B CG 2841 C CD1 . TYR B 94 ? 0.4295 0.7997 0.8192 -0.1003 -0.0334 -0.1507 94 TYR B CD1 2842 C CD2 . TYR B 94 ? 0.4239 0.7016 0.8256 -0.1100 0.0026 -0.1189 94 TYR B CD2 2843 C CE1 . TYR B 94 ? 0.4660 0.8318 0.8934 -0.1271 -0.0234 -0.1900 94 TYR B CE1 2844 C CE2 . TYR B 94 ? 0.4669 0.7378 0.9043 -0.1343 0.0138 -0.1507 94 TYR B CE2 2845 C CZ . TYR B 94 ? 0.4832 0.7957 0.9369 -0.1438 0.0017 -0.1879 94 TYR B CZ 2846 O OH . TYR B 94 ? 0.5178 0.8209 1.0177 -0.1701 0.0178 -0.2240 94 TYR B OH 2847 N N . TRP B 95 ? 0.3861 0.5953 0.6772 -0.0426 0.0022 -0.0165 95 TRP B N 2848 C CA . TRP B 95 ? 0.3927 0.5938 0.6858 -0.0272 0.0124 0.0070 95 TRP B CA 2849 C C . TRP B 95 ? 0.4127 0.6656 0.7430 -0.0165 0.0102 0.0138 95 TRP B C 2850 O O . TRP B 95 ? 0.4115 0.6842 0.7697 -0.0281 0.0114 -0.0004 95 TRP B O 2851 C CB . TRP B 95 ? 0.3907 0.5432 0.6785 -0.0371 0.0322 0.0085 95 TRP B CB 2852 C CG . TRP B 95 ? 0.3662 0.5091 0.6631 -0.0246 0.0468 0.0244 95 TRP B CG 2853 C CD1 . TRP B 95 ? 0.3589 0.4929 0.6472 -0.0104 0.0497 0.0382 95 TRP B CD1 2854 C CD2 . TRP B 95 ? 0.3528 0.4929 0.6761 -0.0265 0.0646 0.0254 95 TRP B CD2 2855 N NE1 . TRP B 95 ? 0.3762 0.4997 0.6883 -0.0042 0.0699 0.0458 95 TRP B NE1 2856 C CE2 . TRP B 95 ? 0.3588 0.4867 0.6909 -0.0137 0.0786 0.0373 95 TRP B CE2 2857 C CE3 . TRP B 95 ? 0.3463 0.4927 0.6905 -0.0384 0.0730 0.0163 95 TRP B CE3 2858 C CZ2 . TRP B 95 ? 0.3588 0.4811 0.7207 -0.0126 0.1005 0.0373 95 TRP B CZ2 2859 C CZ3 . TRP B 95 ? 0.3549 0.4980 0.7235 -0.0364 0.0929 0.0187 95 TRP B CZ3 2860 C CH2 . TRP B 95 ? 0.3577 0.4889 0.7350 -0.0236 0.1063 0.0277 95 TRP B CH2 2861 N N . ASP B 96 ? 0.4366 0.7132 0.7702 0.0071 0.0088 0.0377 96 ASP B N 2862 C CA . ASP B 96 ? 0.4665 0.7920 0.8367 0.0251 0.0102 0.0544 96 ASP B CA 2863 C C . ASP B 96 ? 0.4845 0.7781 0.8648 0.0424 0.0322 0.0825 96 ASP B C 2864 O O . ASP B 96 ? 0.4852 0.7714 0.8514 0.0583 0.0346 0.1022 96 ASP B O 2865 C CB . ASP B 96 ? 0.4712 0.8725 0.8418 0.0425 -0.0118 0.0601 96 ASP B CB 2866 C CG . ASP B 96 ? 0.4935 0.9593 0.9039 0.0647 -0.0128 0.0801 96 ASP B CG 2867 O OD1 . ASP B 96 ? 0.4939 0.9344 0.9313 0.0724 0.0079 0.0981 96 ASP B OD1 2868 O OD2 . ASP B 96 ? 0.5312 1.0782 0.9476 0.0754 -0.0337 0.0766 96 ASP B OD2 2869 N N . ARG B 97 ? 0.5068 0.7813 0.9157 0.0381 0.0513 0.0819 97 ARG B N 2870 C CA . ARG B 97 ? 0.5367 0.7754 0.9643 0.0490 0.0781 0.0986 97 ARG B CA 2871 C C . ARG B 97 ? 0.5580 0.8278 1.0139 0.0819 0.0848 0.1355 97 ARG B C 2872 O O . ARG B 97 ? 0.5725 0.8094 1.0341 0.0927 0.1043 0.1519 97 ARG B O 2873 C CB . ARG B 97 ? 0.5394 0.7601 0.9953 0.0374 0.0981 0.0862 97 ARG B CB 2874 C CG . ARG B 97 ? 0.5605 0.8311 1.0586 0.0456 0.0960 0.0917 97 ARG B CG 2875 C CD . ARG B 97 ? 0.5955 0.8420 1.1187 0.0330 0.1196 0.0780 97 ARG B CD 2876 N NE . ARG B 97 ? 0.6130 0.8464 1.1136 0.0054 0.1144 0.0511 97 ARG B NE 2877 C CZ . ARG B 97 ? 0.6214 0.8242 1.1212 -0.0106 0.1344 0.0357 97 ARG B CZ 2878 N NH1 . ARG B 97 ? 0.6162 0.7986 1.1370 -0.0052 0.1600 0.0366 97 ARG B NH1 2879 N NH2 . ARG B 97 ? 0.6272 0.8217 1.1072 -0.0319 0.1313 0.0190 97 ARG B NH2 2880 N N . ASP B 98 ? 0.5719 0.9089 1.0488 0.0984 0.0703 0.1488 98 ASP B N 2881 C CA . ASP B 98 ? 0.5976 0.9804 1.0999 0.1355 0.0743 0.1911 98 ASP B CA 2882 C C . ASP B 98 ? 0.6149 1.0018 1.0833 0.1495 0.0669 0.2101 98 ASP B C 2883 O O . ASP B 98 ? 0.6314 1.0257 1.1188 0.1798 0.0836 0.2510 98 ASP B O 2884 C CB . ASP B 98 ? 0.5992 1.0702 1.1236 0.1488 0.0535 0.1960 98 ASP B CB 2885 C CG . ASP B 98 ? 0.6003 1.0747 1.1709 0.1435 0.0664 0.1879 98 ASP B CG 2886 O OD1 . ASP B 98 ? 0.6248 1.0794 1.2362 0.1619 0.0946 0.2135 98 ASP B OD1 2887 O OD2 . ASP B 98 ? 0.5836 1.0807 1.1545 0.1209 0.0509 0.1554 98 ASP B OD2 2888 N N . MET B 99 ? 0.6139 0.9948 1.0360 0.1284 0.0452 0.1819 99 MET B N 2889 C CA . MET B 99 ? 0.6322 1.0182 1.0182 0.1379 0.0366 0.1933 99 MET B CA 2890 C C . MET B 99 ? 0.6347 0.9437 1.0135 0.1318 0.0609 0.1971 99 MET B C 2891 O O . MET B 99 ? 0.6447 0.9487 1.0021 0.1418 0.0620 0.2119 99 MET B O 2892 C CB . MET B 99 ? 0.6269 1.0347 0.9735 0.1161 0.0072 0.1568 99 MET B CB 2893 C CG . MET B 99 ? 0.6450 1.1443 0.9996 0.1220 -0.0184 0.1471 99 MET B CG 2894 S SD . MET B 99 ? 0.6991 1.2761 1.0175 0.1393 -0.0433 0.1514 99 MET B SD 2895 C CE . MET B 99 ? 0.6893 1.2088 0.9677 0.1025 -0.0519 0.1043 99 MET B CE 2896 N N . THR C 3 ? 0.4993 0.7363 0.6227 -0.0380 0.0028 0.1818 1 THR C N 2897 C CA . THR C 3 ? 0.4839 0.6770 0.5784 -0.0342 -0.0002 0.1551 1 THR C CA 2898 C C . THR C 3 ? 0.4668 0.6629 0.5208 -0.0168 0.0123 0.1272 1 THR C C 2899 O O . THR C 3 ? 0.4686 0.6955 0.5046 -0.0061 0.0220 0.1284 1 THR C O 2900 C CB . THR C 3 ? 0.4999 0.6947 0.6018 -0.0406 -0.0044 0.1728 1 THR C CB 2901 O OG1 . THR C 3 ? 0.4945 0.6568 0.5654 -0.0338 -0.0041 0.1460 1 THR C OG1 2902 C CG2 . THR C 3 ? 0.5062 0.7642 0.6108 -0.0359 0.0084 0.2021 1 THR C CG2 2903 N N . GLN C 4 ? 0.4412 0.6035 0.4826 -0.0134 0.0094 0.1015 2 GLN C N 2904 C CA . GLN C 4 ? 0.4306 0.5939 0.4441 0.0012 0.0172 0.0777 2 GLN C CA 2905 C C . GLN C 4 ? 0.4085 0.5397 0.3993 0.0044 0.0154 0.0568 2 GLN C C 2906 O O . GLN C 4 ? 0.4014 0.5272 0.3729 0.0153 0.0181 0.0365 2 GLN C O 2907 C CB . GLN C 4 ? 0.4427 0.5916 0.4598 0.0025 0.0146 0.0665 2 GLN C CB 2908 C CG . GLN C 4 ? 0.4754 0.6589 0.5174 0.0000 0.0161 0.0864 2 GLN C CG 2909 C CD . GLN C 4 ? 0.5518 0.7148 0.5979 0.0003 0.0108 0.0741 2 GLN C CD 2910 O OE1 . GLN C 4 ? 0.5895 0.7513 0.6182 0.0126 0.0151 0.0558 2 GLN C OE1 2911 N NE2 . GLN C 4 ? 0.5630 0.7076 0.6329 -0.0121 -0.0009 0.0828 2 GLN C NE2 2912 N N . VAL C 5 ? 0.3855 0.4951 0.3824 -0.0051 0.0089 0.0622 3 VAL C N 2913 C CA . VAL C 5 ? 0.3720 0.4546 0.3520 -0.0033 0.0071 0.0457 3 VAL C CA 2914 C C . VAL C 5 ? 0.3765 0.4673 0.3591 -0.0068 0.0056 0.0581 3 VAL C C 2915 O O . VAL C 5 ? 0.3696 0.4548 0.3719 -0.0164 -0.0017 0.0742 3 VAL C O 2916 C CB . VAL C 5 ? 0.3749 0.4191 0.3566 -0.0081 -0.0004 0.0346 3 VAL C CB 2917 C CG1 . VAL C 5 ? 0.3481 0.3725 0.3151 -0.0058 -0.0006 0.0210 3 VAL C CG1 2918 C CG2 . VAL C 5 ? 0.3468 0.3845 0.3255 -0.0043 0.0006 0.0245 3 VAL C CG2 2919 N N . GLU C 6 ? 0.3699 0.4725 0.3344 0.0017 0.0102 0.0501 4 GLU C N 2920 C CA . GLU C 6 ? 0.3784 0.4941 0.3426 0.0006 0.0094 0.0621 4 GLU C CA 2921 C C . GLU C 6 ? 0.3547 0.4473 0.3049 0.0031 0.0064 0.0443 4 GLU C C 2922 O O . GLU C 6 ? 0.3539 0.4382 0.2905 0.0102 0.0074 0.0246 4 GLU C O 2923 C CB . GLU C 6 ? 0.3914 0.5557 0.3479 0.0111 0.0172 0.0730 4 GLU C CB 2924 C CG . GLU C 6 ? 0.4740 0.6711 0.4495 0.0078 0.0213 0.0972 4 GLU C CG 2925 C CD . GLU C 6 ? 0.5672 0.7612 0.5732 -0.0085 0.0141 0.1267 4 GLU C CD 2926 O OE1 . GLU C 6 ? 0.6000 0.7686 0.6093 -0.0150 0.0062 0.1272 4 GLU C OE1 2927 O OE2 . GLU C 6 ? 0.6133 0.8310 0.6433 -0.0147 0.0145 0.1500 4 GLU C OE2 2928 N N . GLN C 7 ? 0.3449 0.4264 0.3025 -0.0032 0.0009 0.0525 5 GLN C N 2929 C CA . GLN C 7 ? 0.3269 0.3893 0.2753 -0.0016 -0.0020 0.0381 5 GLN C CA 2930 C C . GLN C 7 ? 0.3268 0.4090 0.2717 0.0009 -0.0029 0.0483 5 GLN C C 2931 O O . GLN C 7 ? 0.3273 0.4297 0.2827 -0.0023 -0.0033 0.0709 5 GLN C O 2932 C CB . GLN C 7 ? 0.3207 0.3523 0.2791 -0.0079 -0.0086 0.0344 5 GLN C CB 2933 C CG . GLN C 7 ? 0.3248 0.3400 0.2832 -0.0082 -0.0076 0.0238 5 GLN C CG 2934 C CD . GLN C 7 ? 0.3458 0.3369 0.3091 -0.0094 -0.0139 0.0171 5 GLN C CD 2935 O OE1 . GLN C 7 ? 0.3676 0.3486 0.3408 -0.0112 -0.0199 0.0191 5 GLN C OE1 2936 N NE2 . GLN C 7 ? 0.3588 0.3437 0.3162 -0.0067 -0.0137 0.0087 5 GLN C NE2 2937 N N . SER C 8 ? 0.3235 0.4020 0.2557 0.0067 -0.0040 0.0330 6 SER C N 2938 C CA . SER C 8 ? 0.3286 0.4248 0.2541 0.0113 -0.0061 0.0383 6 SER C CA 2939 C C . SER C 8 ? 0.3350 0.4087 0.2583 0.0112 -0.0112 0.0212 6 SER C C 2940 O O . SER C 8 ? 0.3367 0.3937 0.2589 0.0114 -0.0113 0.0048 6 SER C O 2941 C CB . SER C 8 ? 0.3366 0.4680 0.2450 0.0249 -0.0022 0.0344 6 SER C CB 2942 O OG . SER C 8 ? 0.3471 0.5048 0.2488 0.0304 -0.0036 0.0461 6 SER C OG 2943 N N . PRO C 9 ? 0.3399 0.4143 0.2659 0.0101 -0.0159 0.0277 7 PRO C N 2944 C CA . PRO C 9 ? 0.3400 0.4302 0.2730 0.0076 -0.0178 0.0517 7 PRO C CA 2945 C C . PRO C 9 ? 0.3307 0.4022 0.2841 -0.0023 -0.0212 0.0645 7 PRO C C 2946 O O . PRO C 9 ? 0.3254 0.3723 0.2828 -0.0049 -0.0220 0.0516 7 PRO C O 2947 C CB . PRO C 9 ? 0.3465 0.4317 0.2793 0.0090 -0.0244 0.0491 7 PRO C CB 2948 C CG . PRO C 9 ? 0.3551 0.4302 0.2797 0.0133 -0.0252 0.0247 7 PRO C CG 2949 C CD . PRO C 9 ? 0.3325 0.3926 0.2588 0.0107 -0.0208 0.0138 7 PRO C CD 2950 N N . GLN C 10 ? 0.3296 0.4137 0.2975 -0.0072 -0.0251 0.0903 8 GLN C N 2951 C CA . GLN C 10 ? 0.3361 0.3977 0.3293 -0.0164 -0.0349 0.1014 8 GLN C CA 2952 C C . GLN C 10 ? 0.3376 0.3691 0.3359 -0.0155 -0.0448 0.0880 8 GLN C C 2953 O O . GLN C 10 ? 0.3326 0.3384 0.3397 -0.0163 -0.0511 0.0769 8 GLN C O 2954 C CB . GLN C 10 ? 0.3440 0.4260 0.3591 -0.0234 -0.0404 0.1365 8 GLN C CB 2955 N N . SER C 11 ? 0.3388 0.3770 0.3303 -0.0114 -0.0463 0.0880 9 SER C N 2956 C CA . SER C 11 ? 0.3478 0.3643 0.3431 -0.0082 -0.0543 0.0746 9 SER C CA 2957 C C . SER C 11 ? 0.3506 0.3807 0.3309 -0.0023 -0.0510 0.0673 9 SER C C 2958 O O . SER C 11 ? 0.3534 0.4088 0.3233 -0.0002 -0.0470 0.0770 9 SER C O 2959 C CB . SER C 11 ? 0.3586 0.3596 0.3792 -0.0118 -0.0708 0.0900 9 SER C CB 2960 O OG . SER C 11 ? 0.3715 0.3930 0.3974 -0.0144 -0.0736 0.1150 9 SER C OG 2961 N N . LEU C 12 ? 0.3504 0.3670 0.3300 0.0017 -0.0531 0.0499 10 LEU C N 2962 C CA . LEU C 12 ? 0.3504 0.3781 0.3217 0.0064 -0.0529 0.0430 10 LEU C CA 2963 C C . LEU C 12 ? 0.3422 0.3564 0.3238 0.0103 -0.0599 0.0339 10 LEU C C 2964 O O . LEU C 12 ? 0.3454 0.3440 0.3347 0.0120 -0.0619 0.0258 10 LEU C O 2965 C CB . LEU C 12 ? 0.3364 0.3736 0.2935 0.0083 -0.0447 0.0278 10 LEU C CB 2966 C CG . LEU C 12 ? 0.3607 0.3850 0.3206 0.0074 -0.0402 0.0119 10 LEU C CG 2967 C CD1 . LEU C 12 ? 0.3638 0.3958 0.3178 0.0085 -0.0381 -0.0005 10 LEU C CD1 2968 C CD2 . LEU C 12 ? 0.3395 0.3539 0.3001 0.0042 -0.0357 0.0131 10 LEU C CD2 2969 N N . VAL C 13 ? 0.3362 0.3597 0.3172 0.0138 -0.0644 0.0347 11 VAL C N 2970 C CA . VAL C 13 ? 0.3298 0.3466 0.3207 0.0192 -0.0707 0.0263 11 VAL C CA 2971 C C . VAL C 13 ? 0.3370 0.3676 0.3226 0.0208 -0.0660 0.0140 11 VAL C C 2972 O O . VAL C 13 ? 0.3360 0.3805 0.3126 0.0208 -0.0666 0.0158 11 VAL C O 2973 C CB . VAL C 13 ? 0.3423 0.3579 0.3427 0.0214 -0.0835 0.0409 11 VAL C CB 2974 C CG1 . VAL C 13 ? 0.3236 0.3346 0.3344 0.0295 -0.0910 0.0305 11 VAL C CG1 2975 C CG2 . VAL C 13 ? 0.3199 0.3212 0.3333 0.0173 -0.0920 0.0574 11 VAL C CG2 2976 N N . VAL C 14 ? 0.3371 0.3666 0.3301 0.0232 -0.0628 0.0021 12 VAL C N 2977 C CA . VAL C 14 ? 0.3405 0.3835 0.3379 0.0229 -0.0611 -0.0058 12 VAL C CA 2978 C C . VAL C 14 ? 0.3585 0.4082 0.3707 0.0295 -0.0639 -0.0101 12 VAL C C 2979 O O . VAL C 14 ? 0.3687 0.4122 0.3852 0.0365 -0.0653 -0.0117 12 VAL C O 2980 C CB . VAL C 14 ? 0.3327 0.3773 0.3297 0.0172 -0.0528 -0.0120 12 VAL C CB 2981 C CG1 . VAL C 14 ? 0.3247 0.3634 0.3070 0.0136 -0.0498 -0.0098 12 VAL C CG1 2982 C CG2 . VAL C 14 ? 0.3186 0.3627 0.3233 0.0190 -0.0460 -0.0142 12 VAL C CG2 2983 N N . ARG C 15 ? 0.3616 0.4258 0.3828 0.0287 -0.0660 -0.0133 13 ARG C N 2984 C CA . ARG C 15 ? 0.3838 0.4621 0.4216 0.0350 -0.0671 -0.0161 13 ARG C CA 2985 C C . ARG C 15 ? 0.3788 0.4712 0.4287 0.0321 -0.0574 -0.0173 13 ARG C C 2986 O O . ARG C 15 ? 0.3758 0.4680 0.4277 0.0226 -0.0548 -0.0165 13 ARG C O 2987 C CB . ARG C 15 ? 0.3858 0.4753 0.4314 0.0352 -0.0763 -0.0164 13 ARG C CB 2988 C CG . ARG C 15 ? 0.4342 0.5156 0.4711 0.0406 -0.0862 -0.0115 13 ARG C CG 2989 C CD . ARG C 15 ? 0.5121 0.6066 0.5548 0.0424 -0.0961 -0.0123 13 ARG C CD 2990 N NE . ARG C 15 ? 0.5624 0.6616 0.5985 0.0362 -0.0977 -0.0164 13 ARG C NE 2991 C CZ . ARG C 15 ? 0.5897 0.6982 0.6231 0.0383 -0.1083 -0.0192 13 ARG C CZ 2992 N NH1 . ARG C 15 ? 0.6069 0.7221 0.6440 0.0449 -0.1169 -0.0155 13 ARG C NH1 2993 N NH2 . ARG C 15 ? 0.6029 0.7139 0.6299 0.0355 -0.1121 -0.0274 13 ARG C NH2 2994 N N . GLN C 16 ? 0.3786 0.4849 0.4369 0.0418 -0.0530 -0.0184 14 GLN C N 2995 C CA . GLN C 16 ? 0.3785 0.5089 0.4508 0.0412 -0.0426 -0.0145 14 GLN C CA 2996 C C . GLN C 16 ? 0.3734 0.5176 0.4669 0.0283 -0.0436 -0.0077 14 GLN C C 2997 O O . GLN C 16 ? 0.3724 0.5233 0.4781 0.0267 -0.0523 -0.0084 14 GLN C O 2998 C CB . GLN C 16 ? 0.3925 0.5486 0.4740 0.0576 -0.0403 -0.0167 14 GLN C CB 2999 C CG . GLN C 16 ? 0.4190 0.6126 0.5175 0.0589 -0.0279 -0.0075 14 GLN C CG 3000 C CD . GLN C 16 ? 0.4698 0.7002 0.5803 0.0769 -0.0255 -0.0087 14 GLN C CD 3001 O OE1 . GLN C 16 ? 0.4710 0.6945 0.5708 0.0941 -0.0323 -0.0216 14 GLN C OE1 3002 N NE2 . GLN C 16 ? 0.4610 0.7326 0.5971 0.0736 -0.0170 0.0055 14 GLN C NE2 3003 N N . GLY C 17 ? 0.3625 0.5102 0.4629 0.0194 -0.0370 -0.0011 15 GLY C N 3004 C CA . GLY C 17 ? 0.3478 0.5048 0.4748 0.0062 -0.0416 0.0062 15 GLY C CA 3005 C C . GLY C 17 ? 0.3488 0.4779 0.4667 -0.0029 -0.0512 -0.0012 15 GLY C C 3006 O O . GLY C 17 ? 0.3392 0.4681 0.4783 -0.0134 -0.0581 0.0019 15 GLY C O 3007 N N . GLU C 18 ? 0.3528 0.4603 0.4415 0.0022 -0.0532 -0.0107 16 GLU C N 3008 C CA . GLU C 18 ? 0.3568 0.4447 0.4331 -0.0023 -0.0608 -0.0185 16 GLU C CA 3009 C C . GLU C 18 ? 0.3559 0.4329 0.4249 -0.0061 -0.0527 -0.0163 16 GLU C C 3010 O O . GLU C 18 ? 0.3382 0.4184 0.4014 -0.0029 -0.0415 -0.0107 16 GLU C O 3011 C CB . GLU C 18 ? 0.3607 0.4391 0.4116 0.0048 -0.0658 -0.0249 16 GLU C CB 3012 C CG . GLU C 18 ? 0.3699 0.4594 0.4281 0.0092 -0.0755 -0.0265 16 GLU C CG 3013 C CD . GLU C 18 ? 0.4364 0.5214 0.4717 0.0169 -0.0797 -0.0267 16 GLU C CD 3014 O OE1 . GLU C 18 ? 0.4332 0.5079 0.4500 0.0188 -0.0740 -0.0224 16 GLU C OE1 3015 O OE2 . GLU C 18 ? 0.4504 0.5441 0.4890 0.0208 -0.0899 -0.0288 16 GLU C OE2 3016 N N . ASN C 19 ? 0.3667 0.4319 0.4375 -0.0113 -0.0604 -0.0222 17 ASN C N 3017 C CA . ASN C 19 ? 0.3732 0.4254 0.4348 -0.0138 -0.0551 -0.0222 17 ASN C CA 3018 C C . ASN C 19 ? 0.3863 0.4279 0.4169 -0.0069 -0.0530 -0.0292 17 ASN C C 3019 O O . ASN C 19 ? 0.4104 0.4545 0.4295 -0.0015 -0.0591 -0.0344 17 ASN C O 3020 C CB . ASN C 19 ? 0.3811 0.4244 0.4610 -0.0203 -0.0679 -0.0275 17 ASN C CB 3021 C CG . ASN C 19 ? 0.3987 0.4541 0.5185 -0.0297 -0.0752 -0.0177 17 ASN C CG 3022 O OD1 . ASN C 19 ? 0.3967 0.4714 0.5306 -0.0322 -0.0645 -0.0022 17 ASN C OD1 3023 N ND2 . ASN C 19 ? 0.4117 0.4589 0.5513 -0.0334 -0.0949 -0.0268 17 ASN C ND2 3024 N N . CYS C 20 ? 0.3810 0.4141 0.3996 -0.0070 -0.0446 -0.0270 18 CYS C N 3025 C CA . CYS C 20 ? 0.3931 0.4199 0.3884 -0.0021 -0.0436 -0.0311 18 CYS C CA 3026 C C . CYS C 20 ? 0.3939 0.4111 0.3851 -0.0039 -0.0403 -0.0333 18 CYS C C 3027 O O . CYS C 20 ? 0.3937 0.4074 0.3984 -0.0092 -0.0372 -0.0290 18 CYS C O 3028 C CB . CYS C 20 ? 0.3859 0.4135 0.3694 0.0014 -0.0374 -0.0238 18 CYS C CB 3029 S SG . CYS C 20 ? 0.3952 0.4183 0.3821 0.0009 -0.0277 -0.0179 18 CYS C SG 3030 N N . VAL C 21 ? 0.3993 0.4162 0.3725 0.0012 -0.0407 -0.0379 19 VAL C N 3031 C CA . VAL C 21 ? 0.4028 0.4128 0.3707 0.0021 -0.0391 -0.0421 19 VAL C CA 3032 C C . VAL C 21 ? 0.3947 0.4090 0.3459 0.0050 -0.0306 -0.0350 19 VAL C C 3033 O O . VAL C 21 ? 0.4041 0.4303 0.3446 0.0095 -0.0309 -0.0311 19 VAL C O 3034 C CB . VAL C 21 ? 0.4215 0.4329 0.3870 0.0091 -0.0516 -0.0578 19 VAL C CB 3035 C CG1 . VAL C 21 ? 0.4256 0.4305 0.3863 0.0124 -0.0514 -0.0641 19 VAL C CG1 3036 C CG2 . VAL C 21 ? 0.4495 0.4544 0.4390 0.0045 -0.0645 -0.0638 19 VAL C CG2 3037 N N . LEU C 22 ? 0.3770 0.3833 0.3287 0.0019 -0.0239 -0.0309 20 LEU C N 3038 C CA . LEU C 22 ? 0.3664 0.3757 0.3084 0.0030 -0.0181 -0.0234 20 LEU C CA 3039 C C . LEU C 22 ? 0.3645 0.3740 0.3013 0.0061 -0.0170 -0.0291 20 LEU C C 3040 O O . LEU C 22 ? 0.3672 0.3665 0.3107 0.0048 -0.0194 -0.0361 20 LEU C O 3041 C CB . LEU C 22 ? 0.3532 0.3532 0.3009 -0.0007 -0.0140 -0.0163 20 LEU C CB 3042 C CG . LEU C 22 ? 0.3927 0.3925 0.3451 -0.0004 -0.0164 -0.0114 20 LEU C CG 3043 C CD1 . LEU C 22 ? 0.3976 0.4044 0.3535 0.0006 -0.0208 -0.0140 20 LEU C CD1 3044 C CD2 . LEU C 22 ? 0.3436 0.3360 0.3012 0.0006 -0.0145 -0.0117 20 LEU C CD2 3045 N N A GLN C 23 ? 0.3598 0.3824 0.2875 0.0099 -0.0136 -0.0238 21 GLN C N 3046 N N B GLN C 23 ? 0.3599 0.3834 0.2871 0.0104 -0.0140 -0.0244 21 GLN C N 3047 C CA A GLN C 23 ? 0.3678 0.3978 0.2889 0.0165 -0.0131 -0.0308 21 GLN C CA 3048 C CA B GLN C 23 ? 0.3661 0.3961 0.2872 0.0167 -0.0132 -0.0311 21 GLN C CA 3049 C C A GLN C 23 ? 0.3590 0.3911 0.2815 0.0135 -0.0063 -0.0201 21 GLN C C 3050 C C B GLN C 23 ? 0.3574 0.3879 0.2804 0.0130 -0.0064 -0.0203 21 GLN C C 3051 O O A GLN C 23 ? 0.3516 0.3882 0.2781 0.0087 -0.0039 -0.0056 21 GLN C O 3052 O O B GLN C 23 ? 0.3495 0.3824 0.2770 0.0078 -0.0042 -0.0063 21 GLN C O 3053 C CB A GLN C 23 ? 0.3766 0.4322 0.2850 0.0281 -0.0158 -0.0349 21 GLN C CB 3054 C CB B GLN C 23 ? 0.3749 0.4316 0.2827 0.0288 -0.0152 -0.0352 21 GLN C CB 3055 C CG A GLN C 23 ? 0.4075 0.4804 0.3061 0.0404 -0.0155 -0.0435 21 GLN C CG 3056 C CG B GLN C 23 ? 0.3980 0.4596 0.3024 0.0333 -0.0231 -0.0427 21 GLN C CG 3057 C CD A GLN C 23 ? 0.4167 0.5196 0.2996 0.0563 -0.0198 -0.0511 21 GLN C CD 3058 C CD B GLN C 23 ? 0.4399 0.4883 0.3489 0.0383 -0.0350 -0.0639 21 GLN C CD 3059 O OE1 A GLN C 23 ? 0.4350 0.5446 0.3150 0.0561 -0.0225 -0.0471 21 GLN C OE1 3060 O OE1 B GLN C 23 ? 0.4555 0.4888 0.3716 0.0371 -0.0371 -0.0710 21 GLN C OE1 3061 N NE2 A GLN C 23 ? 0.4111 0.5345 0.2828 0.0724 -0.0212 -0.0631 21 GLN C NE2 3062 N NE2 B GLN C 23 ? 0.4710 0.5243 0.3784 0.0439 -0.0453 -0.0739 21 GLN C NE2 3063 N N . CYS C 24 ? 0.3531 0.3803 0.2754 0.0161 -0.0056 -0.0271 22 CYS C N 3064 C CA . CYS C 24 ? 0.3572 0.3878 0.2821 0.0141 -0.0005 -0.0187 22 CYS C CA 3065 C C . CYS C 24 ? 0.3631 0.4091 0.2816 0.0246 0.0000 -0.0269 22 CYS C C 3066 O O . CYS C 24 ? 0.3778 0.4134 0.2950 0.0304 -0.0057 -0.0425 22 CYS C O 3067 C CB . CYS C 24 ? 0.3496 0.3566 0.2816 0.0074 -0.0005 -0.0192 22 CYS C CB 3068 S SG . CYS C 24 ? 0.4131 0.4232 0.3497 0.0055 0.0025 -0.0106 22 CYS C SG 3069 N N . ASN C 25 ? 0.3558 0.4282 0.2732 0.0278 0.0053 -0.0154 23 ASN C N 3070 C CA . ASN C 25 ? 0.3659 0.4613 0.2767 0.0409 0.0070 -0.0225 23 ASN C CA 3071 C C . ASN C 25 ? 0.3484 0.4516 0.2698 0.0354 0.0125 -0.0080 23 ASN C C 3072 O O . ASN C 25 ? 0.3458 0.4535 0.2782 0.0251 0.0146 0.0113 23 ASN C O 3073 C CB . ASN C 25 ? 0.3777 0.5132 0.2763 0.0544 0.0090 -0.0207 23 ASN C CB 3074 C CG . ASN C 25 ? 0.4304 0.5587 0.3180 0.0634 0.0000 -0.0404 23 ASN C CG 3075 O OD1 . ASN C 25 ? 0.4633 0.5865 0.3454 0.0761 -0.0081 -0.0631 23 ASN C OD1 3076 N ND2 . ASN C 25 ? 0.4525 0.5787 0.3398 0.0572 -0.0010 -0.0327 23 ASN C ND2 3077 N N . TYR C 26 ? 0.3346 0.4387 0.2555 0.0425 0.0124 -0.0177 24 TYR C N 3078 C CA . TYR C 26 ? 0.3299 0.4381 0.2627 0.0371 0.0158 -0.0063 24 TYR C CA 3079 C C . TYR C 26 ? 0.3414 0.4785 0.2713 0.0519 0.0188 -0.0120 24 TYR C C 3080 O O . TYR C 26 ? 0.3430 0.4855 0.2606 0.0675 0.0151 -0.0315 24 TYR C O 3081 C CB . TYR C 26 ? 0.3141 0.3823 0.2530 0.0271 0.0114 -0.0110 24 TYR C CB 3082 C CG . TYR C 26 ? 0.3221 0.3689 0.2552 0.0332 0.0062 -0.0297 24 TYR C CG 3083 C CD1 . TYR C 26 ? 0.3100 0.3575 0.2449 0.0403 0.0048 -0.0367 24 TYR C CD1 3084 C CD2 . TYR C 26 ? 0.3427 0.3690 0.2725 0.0315 0.0011 -0.0386 24 TYR C CD2 3085 C CE1 . TYR C 26 ? 0.3271 0.3530 0.2614 0.0452 -0.0025 -0.0512 24 TYR C CE1 3086 C CE2 . TYR C 26 ? 0.3594 0.3655 0.2914 0.0351 -0.0063 -0.0517 24 TYR C CE2 3087 C CZ . TYR C 26 ? 0.3567 0.3616 0.2911 0.0420 -0.0088 -0.0578 24 TYR C CZ 3088 O OH . TYR C 26 ? 0.3722 0.3556 0.3131 0.0454 -0.0190 -0.0687 24 TYR C OH 3089 N N . SER C 27 ? 0.3358 0.4927 0.2794 0.0477 0.0235 0.0045 25 SER C N 3090 C CA . SER C 27 ? 0.3551 0.5397 0.2997 0.0606 0.0266 0.0008 25 SER C CA 3091 C C . SER C 27 ? 0.3486 0.5084 0.3048 0.0537 0.0232 -0.0010 25 SER C C 3092 O O . SER C 27 ? 0.3633 0.5409 0.3215 0.0642 0.0244 -0.0059 25 SER C O 3093 C CB . SER C 27 ? 0.3650 0.6071 0.3181 0.0647 0.0359 0.0244 25 SER C CB 3094 O OG . SER C 27 ? 0.3704 0.6116 0.3470 0.0453 0.0362 0.0515 25 SER C OG 3095 N N . VAL C 28 ? 0.3456 0.4662 0.3072 0.0388 0.0181 0.0007 26 VAL C N 3096 C CA . VAL C 28 ? 0.3384 0.4351 0.3077 0.0337 0.0136 -0.0018 26 VAL C CA 3097 C C . VAL C 28 ? 0.3581 0.4486 0.3205 0.0464 0.0110 -0.0193 26 VAL C C 3098 O O . VAL C 28 ? 0.3692 0.4453 0.3204 0.0538 0.0072 -0.0349 26 VAL C O 3099 C CB . VAL C 28 ? 0.3287 0.3867 0.2964 0.0226 0.0081 -0.0035 26 VAL C CB 3100 C CG1 . VAL C 28 ? 0.3136 0.3525 0.2864 0.0200 0.0032 -0.0057 26 VAL C CG1 3101 C CG2 . VAL C 28 ? 0.3053 0.3652 0.2822 0.0119 0.0070 0.0108 26 VAL C CG2 3102 N N . THR C 29 ? 0.3590 0.4592 0.3312 0.0488 0.0108 -0.0164 27 THR C N 3103 C CA . THR C 29 ? 0.3661 0.4602 0.3351 0.0612 0.0067 -0.0317 27 THR C CA 3104 C C . THR C 29 ? 0.3626 0.4400 0.3413 0.0548 0.0025 -0.0273 27 THR C C 3105 O O . THR C 29 ? 0.3492 0.4437 0.3422 0.0485 0.0041 -0.0138 27 THR C O 3106 C CB . THR C 29 ? 0.3847 0.5230 0.3538 0.0794 0.0110 -0.0360 27 THR C CB 3107 O OG1 . THR C 29 ? 0.4006 0.5582 0.3576 0.0884 0.0138 -0.0414 27 THR C OG1 3108 C CG2 . THR C 29 ? 0.3891 0.5176 0.3558 0.0950 0.0035 -0.0555 27 THR C CG2 3109 N N . PRO C 30 ? 0.3633 0.4085 0.3368 0.0560 -0.0041 -0.0371 28 PRO C N 3110 C CA . PRO C 30 ? 0.3704 0.3907 0.3348 0.0593 -0.0092 -0.0487 28 PRO C CA 3111 C C . PRO C 30 ? 0.3701 0.3731 0.3294 0.0471 -0.0077 -0.0426 28 PRO C C 3112 O O . PRO C 30 ? 0.3556 0.3617 0.3168 0.0375 -0.0043 -0.0318 28 PRO C O 3113 C CB . PRO C 30 ? 0.3874 0.3842 0.3550 0.0616 -0.0170 -0.0522 28 PRO C CB 3114 C CG . PRO C 30 ? 0.3669 0.3693 0.3399 0.0561 -0.0153 -0.0420 28 PRO C CG 3115 C CD . PRO C 30 ? 0.3580 0.3933 0.3381 0.0551 -0.0087 -0.0350 28 PRO C CD 3116 N N . ASP C 31 ? 0.3778 0.3631 0.3337 0.0481 -0.0124 -0.0500 29 ASP C N 3117 C CA . ASP C 31 ? 0.3612 0.3340 0.3137 0.0379 -0.0107 -0.0442 29 ASP C CA 3118 C C . ASP C 31 ? 0.3761 0.3239 0.3323 0.0338 -0.0163 -0.0415 29 ASP C C 3119 O O . ASP C 31 ? 0.3786 0.3137 0.3406 0.0353 -0.0236 -0.0469 29 ASP C O 3120 C CB . ASP C 31 ? 0.3648 0.3470 0.3134 0.0413 -0.0107 -0.0512 29 ASP C CB 3121 C CG . ASP C 31 ? 0.3749 0.3535 0.3251 0.0542 -0.0204 -0.0681 29 ASP C CG 3122 O OD1 . ASP C 31 ? 0.3795 0.3544 0.3343 0.0623 -0.0259 -0.0745 29 ASP C OD1 3123 O OD2 . ASP C 31 ? 0.3872 0.3668 0.3348 0.0578 -0.0246 -0.0768 29 ASP C OD2 3124 N N . ASN C 32 ? 0.3822 0.3250 0.3371 0.0292 -0.0144 -0.0320 30 ASN C N 3125 C CA . ASN C 32 ? 0.3803 0.3078 0.3385 0.0263 -0.0179 -0.0240 30 ASN C CA 3126 C C . ASN C 32 ? 0.3835 0.3072 0.3430 0.0195 -0.0163 -0.0181 30 ASN C C 3127 O O . ASN C 32 ? 0.3957 0.3087 0.3666 0.0169 -0.0222 -0.0137 30 ASN C O 3128 C CB . ASN C 32 ? 0.3814 0.3112 0.3338 0.0264 -0.0160 -0.0163 30 ASN C CB 3129 C CG . ASN C 32 ? 0.3779 0.3009 0.3315 0.0247 -0.0175 -0.0035 30 ASN C CG 3130 O OD1 . ASN C 32 ? 0.3968 0.3259 0.3439 0.0224 -0.0129 0.0040 30 ASN C OD1 3131 N ND2 . ASN C 32 ? 0.3516 0.2649 0.3146 0.0270 -0.0243 0.0001 30 ASN C ND2 3132 N N . HIS C 33 ? 0.3717 0.3044 0.3233 0.0164 -0.0100 -0.0171 31 HIS C N 3133 C CA . HIS C 33 ? 0.3794 0.3121 0.3322 0.0111 -0.0078 -0.0113 31 HIS C CA 3134 C C . HIS C 33 ? 0.3688 0.3097 0.3151 0.0097 -0.0037 -0.0155 31 HIS C C 3135 O O . HIS C 33 ? 0.3638 0.3109 0.3062 0.0113 -0.0026 -0.0184 31 HIS C O 3136 C CB . HIS C 33 ? 0.3821 0.3186 0.3318 0.0107 -0.0047 0.0013 31 HIS C CB 3137 C CG . HIS C 33 ? 0.3864 0.3302 0.3231 0.0154 -0.0023 -0.0009 31 HIS C CG 3138 N ND1 . HIS C 33 ? 0.3972 0.3400 0.3302 0.0200 -0.0051 -0.0029 31 HIS C ND1 3139 C CD2 . HIS C 33 ? 0.3799 0.3304 0.3090 0.0172 -0.0004 -0.0036 31 HIS C CD2 3140 C CE1 . HIS C 33 ? 0.4024 0.3503 0.3273 0.0239 -0.0062 -0.0070 31 HIS C CE1 3141 N NE2 . HIS C 33 ? 0.3711 0.3228 0.2933 0.0230 -0.0040 -0.0080 31 HIS C NE2 3142 N N . LEU C 34 ? 0.3589 0.3007 0.3079 0.0060 -0.0028 -0.0134 32 LEU C N 3143 C CA . LEU C 34 ? 0.3444 0.2928 0.2891 0.0047 -0.0004 -0.0162 32 LEU C CA 3144 C C . LEU C 34 ? 0.3495 0.3013 0.2936 0.0032 0.0023 -0.0098 32 LEU C C 3145 O O . LEU C 34 ? 0.3603 0.3125 0.3125 0.0006 0.0022 -0.0033 32 LEU C O 3146 C CB . LEU C 34 ? 0.3422 0.2921 0.2901 0.0049 -0.0033 -0.0233 32 LEU C CB 3147 C CG . LEU C 34 ? 0.3283 0.2877 0.2717 0.0040 -0.0010 -0.0239 32 LEU C CG 3148 C CD1 . LEU C 34 ? 0.2868 0.2575 0.2274 0.0089 -0.0025 -0.0305 32 LEU C CD1 3149 C CD2 . LEU C 34 ? 0.3148 0.2732 0.2614 0.0003 -0.0010 -0.0211 32 LEU C CD2 3150 N N . ARG C 35 ? 0.3389 0.2948 0.2764 0.0056 0.0032 -0.0110 33 ARG C N 3151 C CA . ARG C 35 ? 0.3521 0.3153 0.2869 0.0086 0.0052 -0.0079 33 ARG C CA 3152 C C . ARG C 35 ? 0.3482 0.3127 0.2840 0.0076 0.0038 -0.0116 33 ARG C C 3153 O O . ARG C 35 ? 0.3530 0.3134 0.2893 0.0061 0.0004 -0.0149 33 ARG C O 3154 C CB . ARG C 35 ? 0.3561 0.3227 0.2818 0.0171 0.0036 -0.0098 33 ARG C CB 3155 C CG . ARG C 35 ? 0.3966 0.3769 0.3164 0.0256 0.0053 -0.0094 33 ARG C CG 3156 C CD . ARG C 35 ? 0.4319 0.4168 0.3398 0.0386 0.0004 -0.0162 33 ARG C CD 3157 N NE . ARG C 35 ? 0.4135 0.3998 0.3173 0.0401 0.0017 -0.0111 33 ARG C NE 3158 C CZ . ARG C 35 ? 0.4292 0.4329 0.3286 0.0450 0.0079 0.0003 33 ARG C CZ 3159 N NH1 . ARG C 35 ? 0.3992 0.4239 0.2995 0.0481 0.0147 0.0095 33 ARG C NH1 3160 N NH2 . ARG C 35 ? 0.4403 0.4433 0.3367 0.0463 0.0072 0.0054 33 ARG C NH2 3161 N N . TRP C 36 ? 0.3452 0.3180 0.2835 0.0083 0.0062 -0.0086 34 TRP C N 3162 C CA . TRP C 36 ? 0.3308 0.3053 0.2698 0.0093 0.0039 -0.0122 34 TRP C CA 3163 C C . TRP C 36 ? 0.3462 0.3283 0.2795 0.0198 0.0024 -0.0157 34 TRP C C 3164 O O . TRP C 36 ? 0.3498 0.3472 0.2807 0.0257 0.0074 -0.0112 34 TRP C O 3165 C CB . TRP C 36 ? 0.3234 0.3030 0.2710 0.0040 0.0055 -0.0089 34 TRP C CB 3166 C CG . TRP C 36 ? 0.3111 0.2837 0.2619 -0.0017 0.0027 -0.0118 34 TRP C CG 3167 C CD1 . TRP C 36 ? 0.3213 0.2896 0.2778 -0.0048 0.0011 -0.0121 34 TRP C CD1 3168 C CD2 . TRP C 36 ? 0.3164 0.2891 0.2648 -0.0024 -0.0001 -0.0151 34 TRP C CD2 3169 N NE1 . TRP C 36 ? 0.3177 0.2845 0.2726 -0.0047 -0.0028 -0.0191 34 TRP C NE1 3170 C CE2 . TRP C 36 ? 0.2893 0.2616 0.2384 -0.0035 -0.0023 -0.0191 34 TRP C CE2 3171 C CE3 . TRP C 36 ? 0.3147 0.2889 0.2614 -0.0011 -0.0024 -0.0142 34 TRP C CE3 3172 C CZ2 . TRP C 36 ? 0.2953 0.2746 0.2400 -0.0017 -0.0044 -0.0218 34 TRP C CZ2 3173 C CZ3 . TRP C 36 ? 0.3035 0.2823 0.2492 -0.0024 -0.0046 -0.0130 34 TRP C CZ3 3174 C CH2 . TRP C 36 ? 0.3096 0.2938 0.2524 -0.0020 -0.0044 -0.0165 34 TRP C CH2 3175 N N . PHE C 37 ? 0.3470 0.3208 0.2797 0.0236 -0.0057 -0.0229 35 PHE C N 3176 C CA . PHE C 37 ? 0.3569 0.3354 0.2853 0.0369 -0.0117 -0.0314 35 PHE C CA 3177 C C . PHE C 37 ? 0.3563 0.3362 0.2905 0.0380 -0.0149 -0.0332 35 PHE C C 3178 O O . PHE C 37 ? 0.3543 0.3256 0.2960 0.0284 -0.0169 -0.0291 35 PHE C O 3179 C CB . PHE C 37 ? 0.3616 0.3253 0.2907 0.0422 -0.0251 -0.0406 35 PHE C CB 3180 C CG . PHE C 37 ? 0.4036 0.3691 0.3241 0.0481 -0.0254 -0.0435 35 PHE C CG 3181 C CD1 . PHE C 37 ? 0.3708 0.3537 0.2781 0.0638 -0.0232 -0.0486 35 PHE C CD1 3182 C CD2 . PHE C 37 ? 0.4226 0.3767 0.3483 0.0396 -0.0280 -0.0404 35 PHE C CD2 3183 C CE1 . PHE C 37 ? 0.4217 0.4085 0.3195 0.0707 -0.0243 -0.0508 35 PHE C CE1 3184 C CE2 . PHE C 37 ? 0.4479 0.4035 0.3661 0.0457 -0.0295 -0.0436 35 PHE C CE2 3185 C CZ . PHE C 37 ? 0.4463 0.4170 0.3498 0.0613 -0.0282 -0.0491 35 PHE C CZ 3186 N N . LYS C 38 ? 0.3641 0.3578 0.2942 0.0520 -0.0159 -0.0396 36 LYS C N 3187 C CA . LYS C 38 ? 0.3632 0.3566 0.2990 0.0573 -0.0227 -0.0450 36 LYS C CA 3188 C C . LYS C 38 ? 0.3842 0.3668 0.3186 0.0729 -0.0395 -0.0610 36 LYS C C 3189 O O . LYS C 38 ? 0.3795 0.3721 0.3029 0.0882 -0.0415 -0.0706 36 LYS C O 3190 C CB . LYS C 38 ? 0.3608 0.3823 0.2958 0.0646 -0.0131 -0.0418 36 LYS C CB 3191 C CG . LYS C 38 ? 0.3588 0.3822 0.3009 0.0704 -0.0195 -0.0472 36 LYS C CG 3192 C CD . LYS C 38 ? 0.3738 0.4313 0.3176 0.0781 -0.0089 -0.0421 36 LYS C CD 3193 C CE . LYS C 38 ? 0.4283 0.4885 0.3806 0.0829 -0.0148 -0.0466 36 LYS C CE 3194 N NZ . LYS C 38 ? 0.4243 0.5044 0.3711 0.1075 -0.0196 -0.0601 36 LYS C NZ 3195 N N . GLN C 39 ? 0.3856 0.3482 0.3326 0.0697 -0.0536 -0.0636 37 GLN C N 3196 C CA . GLN C 39 ? 0.4109 0.3581 0.3636 0.0841 -0.0751 -0.0796 37 GLN C CA 3197 C C . GLN C 39 ? 0.4374 0.3801 0.4006 0.0902 -0.0857 -0.0842 37 GLN C C 3198 O O . GLN C 39 ? 0.4390 0.3673 0.4170 0.0763 -0.0905 -0.0726 37 GLN C O 3199 C CB . GLN C 39 ? 0.4029 0.3246 0.3694 0.0738 -0.0891 -0.0766 37 GLN C CB 3200 C CG . GLN C 39 ? 0.4223 0.3218 0.4029 0.0873 -0.1182 -0.0936 37 GLN C CG 3201 C CD . GLN C 39 ? 0.4305 0.3076 0.4319 0.0739 -0.1326 -0.0859 37 GLN C CD 3202 O OE1 . GLN C 39 ? 0.3802 0.2561 0.3932 0.0535 -0.1250 -0.0643 37 GLN C OE1 3203 N NE2 . GLN C 39 ? 0.3767 0.2398 0.3833 0.0867 -0.1539 -0.1034 37 GLN C NE2 3204 N N . ASP C 40 ? 0.4721 0.4309 0.4269 0.1125 -0.0888 -0.1000 38 ASP C N 3205 C CA . ASP C 40 ? 0.5130 0.4655 0.4781 0.1244 -0.1039 -0.1102 38 ASP C CA 3206 C C . ASP C 40 ? 0.5363 0.4533 0.5200 0.1272 -0.1334 -0.1201 38 ASP C C 3207 O O . ASP C 40 ? 0.5316 0.4361 0.5155 0.1301 -0.1439 -0.1279 38 ASP C O 3208 C CB . ASP C 40 ? 0.5355 0.5182 0.4866 0.1533 -0.1025 -0.1285 38 ASP C CB 3209 C CG . ASP C 40 ? 0.5617 0.5843 0.5014 0.1505 -0.0751 -0.1148 38 ASP C CG 3210 O OD1 . ASP C 40 ? 0.5549 0.5763 0.5008 0.1270 -0.0613 -0.0946 38 ASP C OD1 3211 O OD2 . ASP C 40 ? 0.6126 0.6700 0.5386 0.1727 -0.0687 -0.1236 38 ASP C OD2 3212 N N . THR C 41 ? 0.5608 0.4616 0.5629 0.1261 -0.1482 -0.1187 39 THR C N 3213 C CA . THR C 41 ? 0.5996 0.4644 0.6288 0.1250 -0.1792 -0.1221 39 THR C CA 3214 C C . THR C 41 ? 0.6373 0.4928 0.6648 0.1530 -0.2035 -0.1538 39 THR C C 3215 O O . THR C 41 ? 0.6562 0.5308 0.6685 0.1799 -0.2046 -0.1757 39 THR C O 3216 C CB . THR C 41 ? 0.6200 0.4754 0.6670 0.1231 -0.1895 -0.1153 39 THR C CB 3217 O OG1 . THR C 41 ? 0.6184 0.4861 0.6635 0.0998 -0.1675 -0.0880 39 THR C OG1 3218 C CG2 . THR C 41 ? 0.6490 0.4653 0.7313 0.1208 -0.2252 -0.1147 39 THR C CG2 3219 N N . GLY C 42 ? 0.6445 0.4740 0.6881 0.1480 -0.2235 -0.1562 40 GLY C N 3220 C CA . GLY C 42 ? 0.6681 0.4860 0.7110 0.1743 -0.2502 -0.1880 40 GLY C CA 3221 C C . GLY C 42 ? 0.6642 0.5124 0.6726 0.1900 -0.2327 -0.2016 40 GLY C C 3222 O O . GLY C 42 ? 0.6959 0.5430 0.6963 0.2177 -0.2529 -0.2312 40 GLY C O 3223 N N . LYS C 43 ? 0.6212 0.4967 0.6099 0.1741 -0.1976 -0.1804 41 LYS C N 3224 C CA . LYS C 43 ? 0.6056 0.5142 0.5628 0.1896 -0.1801 -0.1891 41 LYS C CA 3225 C C . LYS C 43 ? 0.5800 0.4870 0.5336 0.1690 -0.1664 -0.1721 41 LYS C C 3226 O O . LYS C 43 ? 0.5641 0.4443 0.5402 0.1463 -0.1742 -0.1579 41 LYS C O 3227 C CB . LYS C 43 ? 0.5962 0.5468 0.5330 0.1971 -0.1524 -0.1826 41 LYS C CB 3228 N N . GLY C 44 ? 0.5579 0.4968 0.4845 0.1785 -0.1469 -0.1725 42 GLY C N 3229 C CA . GLY C 44 ? 0.5372 0.4766 0.4584 0.1635 -0.1351 -0.1593 42 GLY C CA 3230 C C . GLY C 44 ? 0.5044 0.4610 0.4207 0.1412 -0.1042 -0.1318 42 GLY C C 3231 O O . GLY C 44 ? 0.4819 0.4458 0.4028 0.1335 -0.0936 -0.1214 42 GLY C O 3232 N N . LEU C 45 ? 0.4905 0.4525 0.3990 0.1321 -0.0927 -0.1217 43 LEU C N 3233 C CA . LEU C 45 ? 0.4721 0.4415 0.3810 0.1099 -0.0698 -0.0979 43 LEU C CA 3234 C C . LEU C 45 ? 0.4692 0.4747 0.3601 0.1188 -0.0501 -0.0909 43 LEU C C 3235 O O . LEU C 45 ? 0.5084 0.5328 0.3830 0.1369 -0.0505 -0.0985 43 LEU C O 3236 C CB . LEU C 45 ? 0.4664 0.4204 0.3805 0.0964 -0.0714 -0.0913 43 LEU C CB 3237 C CG . LEU C 45 ? 0.4915 0.4152 0.4289 0.0878 -0.0927 -0.0946 43 LEU C CG 3238 C CD1 . LEU C 45 ? 0.4959 0.4105 0.4390 0.0792 -0.0964 -0.0905 43 LEU C CD1 3239 C CD2 . LEU C 45 ? 0.4427 0.3582 0.3968 0.0694 -0.0886 -0.0790 43 LEU C CD2 3240 N N . VAL C 46 ? 0.4404 0.4585 0.3361 0.1079 -0.0349 -0.0760 44 VAL C N 3241 C CA . VAL C 46 ? 0.4241 0.4777 0.3119 0.1115 -0.0166 -0.0625 44 VAL C CA 3242 C C . VAL C 46 ? 0.4006 0.4474 0.2981 0.0874 -0.0043 -0.0422 44 VAL C C 3243 O O . VAL C 46 ? 0.3739 0.4040 0.2841 0.0712 -0.0041 -0.0372 44 VAL C O 3244 C CB . VAL C 46 ? 0.4277 0.5067 0.3173 0.1223 -0.0123 -0.0632 44 VAL C CB 3245 C CG1 . VAL C 46 ? 0.4404 0.5612 0.3286 0.1235 0.0065 -0.0431 44 VAL C CG1 3246 C CG2 . VAL C 46 ? 0.4375 0.5239 0.3159 0.1513 -0.0274 -0.0879 44 VAL C CG2 3247 N N . SER C 47 ? 0.3876 0.4466 0.2789 0.0870 0.0034 -0.0319 45 SER C N 3248 C CA . SER C 47 ? 0.3755 0.4260 0.2776 0.0671 0.0114 -0.0153 45 SER C CA 3249 C C . SER C 47 ? 0.3650 0.4343 0.2809 0.0588 0.0215 0.0011 45 SER C C 3250 O O . SER C 47 ? 0.3735 0.4763 0.2883 0.0684 0.0292 0.0112 45 SER C O 3251 C CB . SER C 47 ? 0.3796 0.4378 0.2735 0.0703 0.0146 -0.0079 45 SER C CB 3252 O OG . SER C 47 ? 0.3864 0.4316 0.2928 0.0525 0.0186 0.0051 45 SER C OG 3253 N N . LEU C 48 ? 0.3543 0.4052 0.2841 0.0424 0.0204 0.0040 46 LEU C N 3254 C CA . LEU C 48 ? 0.3388 0.4024 0.2867 0.0325 0.0257 0.0182 46 LEU C CA 3255 C C . LEU C 48 ? 0.3411 0.4018 0.3024 0.0203 0.0279 0.0338 46 LEU C C 3256 O O . LEU C 48 ? 0.3447 0.4264 0.3229 0.0158 0.0325 0.0523 46 LEU C O 3257 C CB . LEU C 48 ? 0.3349 0.3803 0.2905 0.0236 0.0202 0.0105 46 LEU C CB 3258 C CG . LEU C 48 ? 0.3342 0.3787 0.2820 0.0339 0.0153 -0.0028 46 LEU C CG 3259 C CD1 . LEU C 48 ? 0.3348 0.3641 0.2901 0.0247 0.0101 -0.0065 46 LEU C CD1 3260 C CD2 . LEU C 48 ? 0.3090 0.3862 0.2556 0.0487 0.0201 -0.0006 46 LEU C CD2 3261 N N . THR C 49 ? 0.3358 0.3716 0.2927 0.0151 0.0232 0.0275 47 THR C N 3262 C CA . THR C 49 ? 0.3349 0.3627 0.3060 0.0049 0.0216 0.0389 47 THR C CA 3263 C C . THR C 49 ? 0.3404 0.3465 0.3015 0.0050 0.0174 0.0293 47 THR C C 3264 O O . THR C 49 ? 0.3399 0.3347 0.2886 0.0085 0.0148 0.0147 47 THR C O 3265 C CB . THR C 49 ? 0.3439 0.3618 0.3368 -0.0072 0.0157 0.0407 47 THR C CB 3266 O OG1 . THR C 49 ? 0.3603 0.3732 0.3741 -0.0160 0.0110 0.0544 47 THR C OG1 3267 C CG2 . THR C 49 ? 0.2983 0.2935 0.2834 -0.0089 0.0093 0.0216 47 THR C CG2 3268 N N . VAL C 50 ? 0.3390 0.3411 0.3089 0.0009 0.0159 0.0395 48 VAL C N 3269 C CA . VAL C 50 ? 0.3517 0.3343 0.3164 0.0006 0.0110 0.0309 48 VAL C CA 3270 C C . VAL C 50 ? 0.3575 0.3253 0.3431 -0.0080 0.0030 0.0353 48 VAL C C 3271 O O . VAL C 50 ? 0.3565 0.3304 0.3618 -0.0138 0.0012 0.0529 48 VAL C O 3272 C CB . VAL C 50 ? 0.3646 0.3540 0.3151 0.0092 0.0137 0.0335 48 VAL C CB 3273 C CG1 . VAL C 50 ? 0.3945 0.4059 0.3513 0.0109 0.0184 0.0555 48 VAL C CG1 3274 C CG2 . VAL C 50 ? 0.3777 0.3481 0.3268 0.0083 0.0081 0.0259 48 VAL C CG2 3275 N N . LEU C 51 ? 0.3460 0.2964 0.3296 -0.0080 -0.0031 0.0196 49 LEU C N 3276 C CA . LEU C 51 ? 0.3523 0.2867 0.3538 -0.0117 -0.0146 0.0166 49 LEU C CA 3277 C C . LEU C 51 ? 0.3566 0.2813 0.3523 -0.0066 -0.0174 0.0112 49 LEU C C 3278 O O . LEU C 51 ? 0.3552 0.2831 0.3330 -0.0008 -0.0125 0.0017 49 LEU C O 3279 C CB . LEU C 51 ? 0.3453 0.2744 0.3461 -0.0108 -0.0200 -0.0001 49 LEU C CB 3280 C CG . LEU C 51 ? 0.3432 0.2823 0.3499 -0.0156 -0.0177 0.0046 49 LEU C CG 3281 C CD1 . LEU C 51 ? 0.3449 0.2913 0.3329 -0.0114 -0.0119 -0.0059 49 LEU C CD1 3282 C CD2 . LEU C 51 ? 0.3224 0.2525 0.3545 -0.0212 -0.0314 0.0039 49 LEU C CD2 3283 N N . VAL C 52 ? 0.3734 0.2864 0.3874 -0.0089 -0.0270 0.0182 50 VAL C N 3284 C CA . VAL C 52 ? 0.3776 0.2828 0.3879 -0.0035 -0.0299 0.0162 50 VAL C CA 3285 C C . VAL C 52 ? 0.4017 0.2866 0.4283 -0.0004 -0.0462 0.0044 50 VAL C C 3286 O O . VAL C 52 ? 0.4118 0.2916 0.4326 0.0072 -0.0490 -0.0041 50 VAL C O 3287 C CB . VAL C 52 ? 0.3880 0.3014 0.4021 -0.0057 -0.0260 0.0394 50 VAL C CB 3288 C CG1 . VAL C 52 ? 0.3675 0.3038 0.3623 -0.0033 -0.0120 0.0464 50 VAL C CG1 3289 C CG2 . VAL C 52 ? 0.3666 0.2754 0.4123 -0.0149 -0.0354 0.0602 50 VAL C CG2 3290 N N . ASP C 53 ? 0.4164 0.2903 0.4651 -0.0049 -0.0590 0.0029 51 ASP C N 3291 C CA . ASP C 53 ? 0.4500 0.3016 0.5184 0.0000 -0.0798 -0.0103 51 ASP C CA 3292 C C . ASP C 53 ? 0.4570 0.3086 0.5126 0.0124 -0.0854 -0.0401 51 ASP C C 3293 O O . ASP C 53 ? 0.4373 0.3045 0.4751 0.0133 -0.0748 -0.0463 51 ASP C O 3294 C CB . ASP C 53 ? 0.4743 0.3115 0.5811 -0.0113 -0.0965 0.0048 51 ASP C CB 3295 C CG . ASP C 53 ? 0.5054 0.3445 0.6303 -0.0209 -0.0949 0.0369 51 ASP C CG 3296 O OD1 . ASP C 53 ? 0.5278 0.3708 0.6377 -0.0158 -0.0874 0.0413 51 ASP C OD1 3297 O OD2 . ASP C 53 ? 0.5757 0.4153 0.7319 -0.0335 -0.1019 0.0598 51 ASP C OD2 3298 N N . GLN C 54 ? 0.4837 0.3198 0.5487 0.0236 -0.1030 -0.0579 52 GLN C N 3299 C CA . GLN C 54 ? 0.5087 0.3496 0.5610 0.0411 -0.1106 -0.0880 52 GLN C CA 3300 C C . GLN C 54 ? 0.5085 0.3533 0.5617 0.0399 -0.1151 -0.0968 52 GLN C C 3301 O O . GLN C 54 ? 0.4868 0.3532 0.5159 0.0483 -0.1053 -0.1086 52 GLN C O 3302 C CB . GLN C 54 ? 0.5503 0.3684 0.6219 0.0538 -0.1357 -0.1053 52 GLN C CB 3303 C CG . GLN C 54 ? 0.6233 0.4546 0.6763 0.0787 -0.1411 -0.1373 52 GLN C CG 3304 C CD . GLN C 54 ? 0.6825 0.5431 0.7078 0.0847 -0.1178 -0.1339 52 GLN C CD 3305 O OE1 . GLN C 54 ? 0.6834 0.5424 0.7092 0.0756 -0.1075 -0.1151 52 GLN C OE1 3306 N NE2 . GLN C 54 ? 0.7141 0.6047 0.7168 0.1004 -0.1105 -0.1507 52 GLN C NE2 3307 N N . LYS C 55 ? 0.5308 0.3561 0.6147 0.0288 -0.1310 -0.0885 53 LYS C N 3308 C CA . LYS C 55 ? 0.5375 0.3652 0.6280 0.0241 -0.1361 -0.0919 53 LYS C CA 3309 C C . LYS C 55 ? 0.5248 0.3534 0.6351 0.0028 -0.1276 -0.0589 53 LYS C C 3310 O O . LYS C 55 ? 0.5553 0.3675 0.6982 -0.0069 -0.1399 -0.0416 53 LYS C O 3311 C CB . LYS C 55 ? 0.5737 0.3779 0.6909 0.0324 -0.1691 -0.1145 53 LYS C CB 3312 C CG . LYS C 55 ? 0.6217 0.4280 0.7204 0.0591 -0.1813 -0.1508 53 LYS C CG 3313 C CD . LYS C 55 ? 0.6712 0.5050 0.7387 0.0727 -0.1733 -0.1699 53 LYS C CD 3314 C CE . LYS C 55 ? 0.7504 0.5860 0.8092 0.1024 -0.1958 -0.2095 53 LYS C CE 3315 N NZ . LYS C 55 ? 0.7601 0.6065 0.8024 0.1202 -0.1911 -0.2206 53 LYS C NZ 3316 N N . ASP C 56 ? 0.4820 0.3323 0.5739 -0.0031 -0.1071 -0.0486 54 ASP C N 3317 C CA . ASP C 56 ? 0.4525 0.3133 0.5560 -0.0186 -0.0950 -0.0185 54 ASP C CA 3318 C C . ASP C 56 ? 0.4407 0.3157 0.5443 -0.0244 -0.0894 -0.0152 54 ASP C C 3319 O O . ASP C 56 ? 0.4197 0.3020 0.5018 -0.0164 -0.0861 -0.0334 54 ASP C O 3320 C CB . ASP C 56 ? 0.4326 0.3090 0.5103 -0.0176 -0.0728 -0.0065 54 ASP C CB 3321 C CG . ASP C 56 ? 0.4298 0.3145 0.5238 -0.0284 -0.0665 0.0246 54 ASP C CG 3322 O OD1 . ASP C 56 ? 0.4048 0.2875 0.5322 -0.0391 -0.0765 0.0415 54 ASP C OD1 3323 O OD2 . ASP C 56 ? 0.4187 0.3150 0.4935 -0.0256 -0.0523 0.0332 54 ASP C OD2 3324 N N . LYS C 57 ? 0.4383 0.3208 0.5677 -0.0379 -0.0881 0.0106 55 LYS C N 3325 C CA . LYS C 57 ? 0.4318 0.3317 0.5676 -0.0447 -0.0822 0.0195 55 LYS C CA 3326 C C . LYS C 57 ? 0.4152 0.3400 0.5540 -0.0519 -0.0644 0.0501 55 LYS C C 3327 O O . LYS C 57 ? 0.4142 0.3398 0.5730 -0.0580 -0.0664 0.0720 55 LYS C O 3328 C CB . LYS C 57 ? 0.4457 0.3328 0.6230 -0.0529 -0.1059 0.0203 55 LYS C CB 3329 C CG . LYS C 57 ? 0.4839 0.3539 0.6547 -0.0420 -0.1243 -0.0139 55 LYS C CG 3330 C CD . LYS C 57 ? 0.5401 0.3852 0.7574 -0.0471 -0.1574 -0.0184 55 LYS C CD 3331 C CE . LYS C 57 ? 0.5698 0.4040 0.7782 -0.0329 -0.1769 -0.0550 55 LYS C CE 3332 N N . THR C 58 ? 0.3893 0.3364 0.5077 -0.0491 -0.0479 0.0514 56 THR C N 3333 C CA . THR C 58 ? 0.3870 0.3643 0.5067 -0.0515 -0.0319 0.0772 56 THR C CA 3334 C C . THR C 58 ? 0.3837 0.3811 0.5091 -0.0534 -0.0274 0.0800 56 THR C C 3335 O O . THR C 58 ? 0.3760 0.3623 0.4962 -0.0517 -0.0342 0.0602 56 THR C O 3336 C CB . THR C 58 ? 0.3686 0.3558 0.4504 -0.0402 -0.0154 0.0725 56 THR C CB 3337 O OG1 . THR C 58 ? 0.3386 0.3181 0.3935 -0.0327 -0.0127 0.0483 56 THR C OG1 3338 C CG2 . THR C 58 ? 0.3718 0.3439 0.4487 -0.0380 -0.0184 0.0729 56 THR C CG2 3339 N N . SER C 59 ? 0.3884 0.4191 0.5236 -0.0550 -0.0159 0.1047 57 SER C N 3340 C CA . SER C 59 ? 0.3895 0.4453 0.5263 -0.0533 -0.0088 0.1070 57 SER C CA 3341 C C . SER C 59 ? 0.3929 0.4887 0.5164 -0.0440 0.0097 0.1238 57 SER C C 3342 O O . SER C 59 ? 0.4061 0.5172 0.5318 -0.0429 0.0156 0.1432 57 SER C O 3343 C CB . SER C 59 ? 0.3904 0.4510 0.5723 -0.0671 -0.0217 0.1214 57 SER C CB 3344 O OG . SER C 59 ? 0.3955 0.4715 0.6128 -0.0774 -0.0238 0.1542 57 SER C OG 3345 N N . ASN C 60 ? 0.3794 0.4936 0.4882 -0.0349 0.0176 0.1153 58 ASN C N 3346 C CA . ASN C 60 ? 0.3811 0.5343 0.4726 -0.0202 0.0331 0.1235 58 ASN C CA 3347 C C . ASN C 60 ? 0.3681 0.5404 0.4648 -0.0163 0.0351 0.1191 58 ASN C C 3348 O O . ASN C 60 ? 0.3545 0.5093 0.4293 -0.0088 0.0327 0.0944 58 ASN C O 3349 C CB . ASN C 60 ? 0.3912 0.5291 0.4414 -0.0054 0.0369 0.1012 58 ASN C CB 3350 C CG . ASN C 60 ? 0.4116 0.5863 0.4396 0.0151 0.0484 0.1004 58 ASN C CG 3351 O OD1 . ASN C 60 ? 0.4255 0.6446 0.4661 0.0201 0.0570 0.1204 58 ASN C OD1 3352 N ND2 . ASN C 60 ? 0.3894 0.5477 0.3860 0.0284 0.0468 0.0771 58 ASN C ND2 3353 N N . GLY C 61 ? 0.3613 0.5696 0.4912 -0.0226 0.0382 0.1455 59 GLY C N 3354 C CA . GLY C 61 ? 0.3648 0.5948 0.5073 -0.0206 0.0390 0.1448 59 GLY C CA 3355 C C . GLY C 61 ? 0.3643 0.5534 0.5090 -0.0291 0.0243 0.1216 59 GLY C C 3356 O O . GLY C 61 ? 0.3709 0.5332 0.5380 -0.0443 0.0105 0.1229 59 GLY C O 3357 N N . ARG C 62 ? 0.3520 0.5369 0.4734 -0.0175 0.0254 0.1001 60 ARG C N 3358 C CA . ARG C 62 ? 0.3542 0.5075 0.4746 -0.0230 0.0127 0.0802 60 ARG C CA 3359 C C . ARG C 62 ? 0.3459 0.4567 0.4418 -0.0238 0.0059 0.0600 60 ARG C C 3360 O O . ARG C 62 ? 0.3520 0.4404 0.4444 -0.0267 -0.0040 0.0449 60 ARG C O 3361 C CB . ARG C 62 ? 0.3427 0.5096 0.4527 -0.0113 0.0150 0.0688 60 ARG C CB 3362 C CG . ARG C 62 ? 0.3576 0.5702 0.4971 -0.0106 0.0201 0.0880 60 ARG C CG 3363 C CD . ARG C 62 ? 0.3665 0.5934 0.4930 0.0050 0.0221 0.0743 60 ARG C CD 3364 N NE . ARG C 62 ? 0.3899 0.6150 0.4813 0.0241 0.0284 0.0596 60 ARG C NE 3365 C CZ . ARG C 62 ? 0.3922 0.5809 0.4570 0.0292 0.0217 0.0377 60 ARG C CZ 3366 N NH1 . ARG C 62 ? 0.4133 0.5694 0.4780 0.0187 0.0111 0.0282 60 ARG C NH1 3367 N NH2 . ARG C 62 ? 0.3693 0.5573 0.4095 0.0460 0.0242 0.0260 60 ARG C NH2 3368 N N . TYR C 63 ? 0.3452 0.4494 0.4241 -0.0200 0.0116 0.0606 62 TYR C N 3369 C CA . TYR C 63 ? 0.3543 0.4240 0.4144 -0.0211 0.0059 0.0449 62 TYR C CA 3370 C C . TYR C 63 ? 0.3591 0.4144 0.4392 -0.0324 -0.0021 0.0528 62 TYR C C 3371 O O . TYR C 63 ? 0.3552 0.4262 0.4537 -0.0370 0.0010 0.0733 62 TYR C O 3372 C CB . TYR C 63 ? 0.3604 0.4273 0.3912 -0.0098 0.0137 0.0381 62 TYR C CB 3373 C CG . TYR C 63 ? 0.3717 0.4537 0.3866 0.0041 0.0189 0.0311 62 TYR C CG 3374 C CD1 . TYR C 63 ? 0.4111 0.4812 0.4179 0.0071 0.0135 0.0172 62 TYR C CD1 3375 C CD2 . TYR C 63 ? 0.4064 0.5161 0.4148 0.0163 0.0276 0.0380 62 TYR C CD2 3376 C CE1 . TYR C 63 ? 0.4300 0.5105 0.4262 0.0209 0.0145 0.0096 62 TYR C CE1 3377 C CE2 . TYR C 63 ? 0.4280 0.5505 0.4220 0.0330 0.0288 0.0269 62 TYR C CE2 3378 C CZ . TYR C 63 ? 0.4286 0.5335 0.4184 0.0345 0.0211 0.0124 62 TYR C CZ 3379 O OH . TYR C 63 ? 0.5105 0.6237 0.4901 0.0513 0.0184 0.0004 62 TYR C OH 3380 N N . SER C 64 ? 0.3669 0.3947 0.4439 -0.0353 -0.0137 0.0367 63 SER C N 3381 C CA . SER C 64 ? 0.3771 0.3846 0.4657 -0.0411 -0.0239 0.0362 63 SER C CA 3382 C C . SER C 64 ? 0.3827 0.3697 0.4427 -0.0335 -0.0257 0.0148 63 SER C C 3383 O O . SER C 64 ? 0.3821 0.3697 0.4221 -0.0274 -0.0230 0.0026 63 SER C O 3384 C CB . SER C 64 ? 0.3900 0.3896 0.5138 -0.0507 -0.0418 0.0376 63 SER C CB 3385 O OG . SER C 64 ? 0.4081 0.4049 0.5258 -0.0474 -0.0485 0.0211 63 SER C OG 3386 N N . ALA C 65 ? 0.3787 0.3506 0.4389 -0.0336 -0.0301 0.0126 64 ALA C N 3387 C CA . ALA C 65 ? 0.3735 0.3329 0.4092 -0.0257 -0.0303 -0.0045 64 ALA C CA 3388 C C . ALA C 65 ? 0.3898 0.3308 0.4375 -0.0255 -0.0443 -0.0124 64 ALA C C 3389 O O . ALA C 65 ? 0.3968 0.3316 0.4713 -0.0328 -0.0525 -0.0007 64 ALA C O 3390 C CB . ALA C 65 ? 0.3655 0.3305 0.3795 -0.0210 -0.0167 -0.0005 64 ALA C CB 3391 N N . THR C 66 ? 0.3919 0.3264 0.4220 -0.0161 -0.0485 -0.0314 65 THR C N 3392 C CA . THR C 66 ? 0.4063 0.3249 0.4440 -0.0109 -0.0630 -0.0442 65 THR C CA 3393 C C . THR C 66 ? 0.4056 0.3279 0.4185 -0.0022 -0.0534 -0.0501 65 THR C C 3394 O O . THR C 66 ? 0.3854 0.3217 0.3774 0.0002 -0.0405 -0.0486 65 THR C O 3395 C CB . THR C 66 ? 0.4246 0.3393 0.4639 -0.0024 -0.0798 -0.0660 65 THR C CB 3396 O OG1 . THR C 66 ? 0.4394 0.3716 0.4494 0.0066 -0.0699 -0.0746 65 THR C OG1 3397 C CG2 . THR C 66 ? 0.4161 0.3270 0.4836 -0.0115 -0.0923 -0.0614 65 THR C CG2 3398 N N . LEU C 67 ? 0.4163 0.3262 0.4352 0.0019 -0.0615 -0.0556 66 LEU C N 3399 C CA . LEU C 67 ? 0.4107 0.3264 0.4096 0.0120 -0.0552 -0.0636 66 LEU C CA 3400 C C . LEU C 67 ? 0.4355 0.3406 0.4409 0.0241 -0.0727 -0.0837 66 LEU C C 3401 O O . LEU C 67 ? 0.4470 0.3313 0.4769 0.0210 -0.0886 -0.0837 66 LEU C O 3402 C CB . LEU C 67 ? 0.3950 0.3089 0.3927 0.0067 -0.0450 -0.0481 66 LEU C CB 3403 C CG . LEU C 67 ? 0.3848 0.3035 0.3683 0.0154 -0.0402 -0.0539 66 LEU C CG 3404 C CD1 . LEU C 67 ? 0.3364 0.2763 0.2994 0.0203 -0.0289 -0.0568 66 LEU C CD1 3405 C CD2 . LEU C 67 ? 0.3342 0.2478 0.3207 0.0099 -0.0346 -0.0389 66 LEU C CD2 3406 N N . ASP C 68 ? 0.4364 0.3579 0.4215 0.0391 -0.0712 -0.0998 67 ASP C N 3407 C CA . ASP C 68 ? 0.4576 0.3754 0.4435 0.0564 -0.0867 -0.1224 67 ASP C CA 3408 C C . ASP C 68 ? 0.4494 0.3876 0.4164 0.0654 -0.0730 -0.1217 67 ASP C C 3409 O O . ASP C 68 ? 0.4470 0.4141 0.3946 0.0715 -0.0606 -0.1207 67 ASP C O 3410 C CB . ASP C 68 ? 0.4768 0.4042 0.4560 0.0705 -0.0994 -0.1443 67 ASP C CB 3411 C CG . ASP C 68 ? 0.5204 0.4505 0.4953 0.0946 -0.1163 -0.1727 67 ASP C CG 3412 O OD1 . ASP C 68 ? 0.5501 0.4789 0.5248 0.1013 -0.1156 -0.1752 67 ASP C OD1 3413 O OD2 . ASP C 68 ? 0.5991 0.5345 0.5704 0.1091 -0.1317 -0.1944 67 ASP C OD2 3414 N N . LYS C 69 ? 0.4494 0.3742 0.4257 0.0647 -0.0755 -0.1187 68 LYS C N 3415 C CA . LYS C 69 ? 0.4404 0.3827 0.4043 0.0717 -0.0642 -0.1166 68 LYS C CA 3416 C C . LYS C 69 ? 0.4639 0.4299 0.4157 0.0959 -0.0695 -0.1390 68 LYS C C 3417 O O . LYS C 69 ? 0.4632 0.4586 0.4024 0.1025 -0.0564 -0.1346 68 LYS C O 3418 C CB . LYS C 69 ? 0.4357 0.3569 0.4132 0.0643 -0.0663 -0.1062 68 LYS C CB 3419 C CG . LYS C 69 ? 0.3921 0.3086 0.3709 0.0451 -0.0527 -0.0808 68 LYS C CG 3420 C CD . LYS C 69 ? 0.3875 0.2924 0.3736 0.0420 -0.0529 -0.0707 68 LYS C CD 3421 C CE . LYS C 69 ? 0.3403 0.2439 0.3257 0.0278 -0.0420 -0.0487 68 LYS C CE 3422 N NZ . LYS C 69 ? 0.3652 0.2614 0.3549 0.0275 -0.0429 -0.0394 68 LYS C NZ 3423 N N . ASP C 70 ? 0.4962 0.4529 0.4532 0.1105 -0.0898 -0.1628 69 ASP C N 3424 C CA . ASP C 70 ? 0.5277 0.5131 0.4695 0.1387 -0.0960 -0.1878 69 ASP C CA 3425 C C . ASP C 70 ? 0.5177 0.5462 0.4362 0.1442 -0.0799 -0.1825 69 ASP C C 3426 O O . ASP C 70 ? 0.5215 0.5916 0.4243 0.1595 -0.0687 -0.1829 69 ASP C O 3427 C CB . ASP C 70 ? 0.5649 0.5272 0.5188 0.1554 -0.1264 -0.2185 69 ASP C CB 3428 C CG . ASP C 70 ? 0.6170 0.5391 0.5978 0.1525 -0.1452 -0.2226 69 ASP C CG 3429 O OD1 . ASP C 70 ? 0.6968 0.5942 0.6944 0.1653 -0.1745 -0.2471 69 ASP C OD1 3430 O OD2 . ASP C 70 ? 0.6528 0.5670 0.6397 0.1381 -0.1331 -0.2011 69 ASP C OD2 3431 N N . ALA C 71 ? 0.5058 0.5270 0.4245 0.1313 -0.0787 -0.1746 70 ALA C N 3432 C CA . ALA C 71 ? 0.4934 0.5517 0.3930 0.1344 -0.0654 -0.1664 70 ALA C CA 3433 C C . ALA C 71 ? 0.4609 0.5314 0.3592 0.1146 -0.0427 -0.1345 70 ALA C C 3434 O O . ALA C 71 ? 0.4564 0.5614 0.3426 0.1167 -0.0308 -0.1224 70 ALA C O 3435 C CB . ALA C 71 ? 0.4940 0.5400 0.3951 0.1327 -0.0776 -0.1755 70 ALA C CB 3436 N N . LYS C 72 ? 0.4460 0.4890 0.3583 0.0967 -0.0388 -0.1208 71 LYS C N 3437 C CA . LYS C 72 ? 0.4295 0.4771 0.3436 0.0791 -0.0226 -0.0949 71 LYS C CA 3438 C C . LYS C 72 ? 0.4206 0.4694 0.3321 0.0685 -0.0184 -0.0840 71 LYS C C 3439 O O . LYS C 72 ? 0.3999 0.4729 0.3063 0.0653 -0.0081 -0.0684 71 LYS C O 3440 C CB . LYS C 72 ? 0.4346 0.5182 0.3437 0.0859 -0.0111 -0.0852 71 LYS C CB 3441 C CG . LYS C 72 ? 0.4694 0.5523 0.3820 0.0981 -0.0160 -0.0976 71 LYS C CG 3442 C CD . LYS C 72 ? 0.5087 0.6091 0.4272 0.0930 -0.0049 -0.0805 71 LYS C CD 3443 C CE . LYS C 72 ? 0.5610 0.6480 0.4861 0.1005 -0.0116 -0.0917 71 LYS C CE 3444 N NZ . LYS C 72 ? 0.5336 0.6291 0.4679 0.0911 -0.0026 -0.0737 71 LYS C NZ 3445 N N . HIS C 73 ? 0.4270 0.4486 0.3460 0.0622 -0.0279 -0.0905 72 HIS C N 3446 C CA . HIS C 73 ? 0.4264 0.4485 0.3438 0.0561 -0.0280 -0.0863 72 HIS C CA 3447 C C . HIS C 73 ? 0.4162 0.4077 0.3492 0.0413 -0.0322 -0.0812 72 HIS C C 3448 O O . HIS C 73 ? 0.4324 0.4033 0.3784 0.0413 -0.0437 -0.0898 72 HIS C O 3449 C CB . HIS C 73 ? 0.4524 0.4861 0.3620 0.0727 -0.0402 -0.1067 72 HIS C CB 3450 C CG . HIS C 73 ? 0.4801 0.5131 0.3893 0.0677 -0.0432 -0.1049 72 HIS C CG 3451 N ND1 . HIS C 73 ? 0.5310 0.5823 0.4323 0.0618 -0.0315 -0.0876 72 HIS C ND1 3452 C CD2 . HIS C 73 ? 0.5322 0.5483 0.4508 0.0677 -0.0582 -0.1176 72 HIS C CD2 3453 C CE1 . HIS C 73 ? 0.5396 0.5861 0.4427 0.0594 -0.0380 -0.0906 72 HIS C CE1 3454 N NE2 . HIS C 73 ? 0.5568 0.5832 0.4706 0.0627 -0.0539 -0.1088 72 HIS C NE2 3455 N N . SER C 74 ? 0.3902 0.3814 0.3239 0.0298 -0.0240 -0.0663 73 SER C N 3456 C CA . SER C 74 ? 0.3795 0.3523 0.3266 0.0183 -0.0261 -0.0600 73 SER C CA 3457 C C . SER C 74 ? 0.3691 0.3492 0.3143 0.0153 -0.0253 -0.0566 73 SER C C 3458 O O . SER C 74 ? 0.3655 0.3614 0.2997 0.0173 -0.0191 -0.0513 73 SER C O 3459 C CB . SER C 74 ? 0.3685 0.3350 0.3176 0.0100 -0.0169 -0.0460 73 SER C CB 3460 O OG . SER C 74 ? 0.3881 0.3455 0.3487 0.0017 -0.0171 -0.0381 73 SER C OG 3461 N N . THR C 75 ? 0.3721 0.3419 0.3314 0.0096 -0.0321 -0.0571 74 THR C N 3462 C CA . THR C 75 ? 0.3727 0.3487 0.3332 0.0055 -0.0306 -0.0518 74 THR C CA 3463 C C . THR C 75 ? 0.3702 0.3406 0.3439 -0.0042 -0.0257 -0.0389 74 THR C C 3464 O O . THR C 75 ? 0.3835 0.3453 0.3712 -0.0087 -0.0280 -0.0346 74 THR C O 3465 C CB . THR C 75 ? 0.3898 0.3653 0.3583 0.0087 -0.0443 -0.0636 74 THR C CB 3466 O OG1 . THR C 75 ? 0.4269 0.3865 0.4196 0.0021 -0.0539 -0.0633 74 THR C OG1 3467 C CG2 . THR C 75 ? 0.3635 0.3491 0.3172 0.0237 -0.0519 -0.0808 74 THR C CG2 3468 N N . LEU C 76 ? 0.3574 0.3355 0.3275 -0.0059 -0.0198 -0.0320 75 LEU C N 3469 C CA . LEU C 76 ? 0.3474 0.3283 0.3287 -0.0108 -0.0158 -0.0221 75 LEU C CA 3470 C C . LEU C 76 ? 0.3499 0.3378 0.3397 -0.0119 -0.0209 -0.0232 75 LEU C C 3471 O O . LEU C 76 ? 0.3362 0.3288 0.3152 -0.0081 -0.0217 -0.0269 75 LEU C O 3472 C CB . LEU C 76 ? 0.3458 0.3301 0.3161 -0.0081 -0.0075 -0.0167 75 LEU C CB 3473 C CG . LEU C 76 ? 0.3639 0.3578 0.3409 -0.0074 -0.0029 -0.0092 75 LEU C CG 3474 C CD1 . LEU C 76 ? 0.3612 0.3588 0.3477 -0.0099 0.0004 -0.0005 75 LEU C CD1 3475 C CD2 . LEU C 76 ? 0.3561 0.3502 0.3212 -0.0008 -0.0005 -0.0107 75 LEU C CD2 3476 N N A HIS C 77 ? 0.3425 0.3326 0.3543 -0.0177 -0.0255 -0.0182 76 HIS C N 3477 N N B HIS C 77 ? 0.3442 0.3348 0.3559 -0.0176 -0.0250 -0.0177 76 HIS C N 3478 C CA A HIS C 77 ? 0.3442 0.3426 0.3686 -0.0195 -0.0312 -0.0182 76 HIS C CA 3479 C CA B HIS C 77 ? 0.3449 0.3434 0.3700 -0.0196 -0.0314 -0.0181 76 HIS C CA 3480 C C A HIS C 77 ? 0.3383 0.3531 0.3707 -0.0205 -0.0220 -0.0052 76 HIS C C 3481 C C B HIS C 77 ? 0.3406 0.3560 0.3772 -0.0216 -0.0236 -0.0048 76 HIS C C 3482 O O A HIS C 77 ? 0.3404 0.3623 0.3809 -0.0226 -0.0156 0.0062 76 HIS C O 3483 O O B HIS C 77 ? 0.3425 0.3661 0.3946 -0.0259 -0.0196 0.0080 76 HIS C O 3484 C CB A HIS C 77 ? 0.3503 0.3425 0.4004 -0.0251 -0.0464 -0.0214 76 HIS C CB 3485 C CB B HIS C 77 ? 0.3533 0.3439 0.4015 -0.0245 -0.0469 -0.0230 76 HIS C CB 3486 C CG A HIS C 77 ? 0.3692 0.3461 0.4129 -0.0203 -0.0579 -0.0374 76 HIS C CG 3487 C CG B HIS C 77 ? 0.3478 0.3465 0.4151 -0.0276 -0.0561 -0.0231 76 HIS C CG 3488 N ND1 A HIS C 77 ? 0.3784 0.3508 0.4277 -0.0161 -0.0750 -0.0531 76 HIS C ND1 3489 N ND1 B HIS C 77 ? 0.3466 0.3452 0.4041 -0.0213 -0.0655 -0.0375 76 HIS C ND1 3490 C CD2 A HIS C 77 ? 0.3631 0.3303 0.3957 -0.0167 -0.0562 -0.0417 76 HIS C CD2 3491 C CD2 B HIS C 77 ? 0.3489 0.3596 0.4462 -0.0359 -0.0579 -0.0092 76 HIS C CD2 3492 C CE1 A HIS C 77 ? 0.3868 0.3488 0.4273 -0.0082 -0.0832 -0.0678 76 HIS C CE1 3493 C CE1 B HIS C 77 ? 0.3500 0.3564 0.4303 -0.0259 -0.0738 -0.0347 76 HIS C CE1 3494 N NE2 A HIS C 77 ? 0.3754 0.3342 0.4068 -0.0092 -0.0715 -0.0603 76 HIS C NE2 3495 N NE2 B HIS C 77 ? 0.3360 0.3505 0.4425 -0.0354 -0.0692 -0.0168 76 HIS C NE2 3496 N N . ILE C 78 ? 0.3382 0.3621 0.3677 -0.0169 -0.0219 -0.0070 77 ILE C N 3497 C CA . ILE C 78 ? 0.3321 0.3763 0.3712 -0.0145 -0.0154 0.0023 77 ILE C CA 3498 C C . ILE C 78 ? 0.3331 0.3871 0.3948 -0.0193 -0.0237 0.0041 77 ILE C C 3499 O O . ILE C 78 ? 0.3420 0.3895 0.3981 -0.0177 -0.0318 -0.0058 77 ILE C O 3500 C CB . ILE C 78 ? 0.3248 0.3703 0.3449 -0.0045 -0.0112 -0.0026 77 ILE C CB 3501 C CG1 . ILE C 78 ? 0.3562 0.3885 0.3572 -0.0009 -0.0072 -0.0059 77 ILE C CG1 3502 C CG2 . ILE C 78 ? 0.3357 0.4050 0.3643 0.0023 -0.0055 0.0034 77 ILE C CG2 3503 C CD1 . ILE C 78 ? 0.3618 0.3872 0.3490 0.0067 -0.0092 -0.0114 77 ILE C CD1 3504 N N . THR C 79 ? 0.3219 0.3936 0.4114 -0.0255 -0.0227 0.0184 78 THR C N 3505 C CA . THR C 79 ? 0.3281 0.4122 0.4459 -0.0313 -0.0316 0.0228 78 THR C CA 3506 C C . THR C 79 ? 0.3173 0.4284 0.4354 -0.0232 -0.0231 0.0278 78 THR C C 3507 O O . THR C 79 ? 0.3206 0.4486 0.4289 -0.0148 -0.0103 0.0342 78 THR C O 3508 C CB . THR C 79 ? 0.3421 0.4350 0.4980 -0.0440 -0.0366 0.0406 78 THR C CB 3509 O OG1 . THR C 79 ? 0.3828 0.4477 0.5377 -0.0488 -0.0465 0.0332 78 THR C OG1 3510 C CG2 . THR C 79 ? 0.3460 0.4510 0.5383 -0.0519 -0.0492 0.0462 78 THR C CG2 3511 N N . ALA C 80 ? 0.3064 0.4220 0.4340 -0.0230 -0.0315 0.0227 79 ALA C N 3512 C CA . ALA C 80 ? 0.3078 0.4507 0.4416 -0.0149 -0.0262 0.0270 79 ALA C CA 3513 C C . ALA C 80 ? 0.3093 0.4545 0.4143 0.0001 -0.0155 0.0211 79 ALA C C 3514 O O . ALA C 80 ? 0.3097 0.4808 0.4173 0.0078 -0.0047 0.0298 79 ALA C O 3515 C CB . ALA C 80 ? 0.2972 0.4767 0.4689 -0.0210 -0.0219 0.0489 79 ALA C CB 3516 N N . THR C 81 ? 0.3159 0.4356 0.3953 0.0052 -0.0200 0.0070 80 THR C N 3517 C CA . THR C 81 ? 0.3269 0.4411 0.3839 0.0181 -0.0155 0.0003 80 THR C CA 3518 C C . THR C 81 ? 0.3318 0.4715 0.3941 0.0325 -0.0129 -0.0003 80 THR C C 3519 O O . THR C 81 ? 0.3352 0.4902 0.4130 0.0332 -0.0167 0.0013 80 THR C O 3520 C CB . THR C 81 ? 0.3301 0.4163 0.3676 0.0191 -0.0235 -0.0094 80 THR C CB 3521 O OG1 . THR C 81 ? 0.3554 0.4425 0.3997 0.0172 -0.0323 -0.0112 80 THR C OG1 3522 C CG2 . THR C 81 ? 0.3274 0.3925 0.3527 0.0108 -0.0233 -0.0105 80 THR C CG2 3523 N N . LEU C 82 ? 0.3469 0.4919 0.3959 0.0459 -0.0077 -0.0046 81 LEU C N 3524 C CA . LEU C 82 ? 0.3547 0.5229 0.4036 0.0656 -0.0072 -0.0107 81 LEU C CA 3525 C C . LEU C 82 ? 0.3654 0.5050 0.3949 0.0771 -0.0171 -0.0265 81 LEU C C 3526 O O . LEU C 82 ? 0.3506 0.4614 0.3678 0.0700 -0.0199 -0.0287 81 LEU C O 3527 C CB . LEU C 82 ? 0.3619 0.5685 0.4136 0.0755 0.0055 -0.0025 81 LEU C CB 3528 C CG . LEU C 82 ? 0.3653 0.6066 0.4436 0.0635 0.0150 0.0197 81 LEU C CG 3529 C CD1 . LEU C 82 ? 0.3789 0.6630 0.4568 0.0755 0.0289 0.0316 81 LEU C CD1 3530 C CD2 . LEU C 82 ? 0.3823 0.6459 0.4837 0.0634 0.0119 0.0238 81 LEU C CD2 3531 N N . LEU C 83 ? 0.3798 0.5278 0.4103 0.0951 -0.0241 -0.0370 82 LEU C N 3532 C CA . LEU C 83 ? 0.4066 0.5269 0.4262 0.1077 -0.0384 -0.0523 82 LEU C CA 3533 C C . LEU C 83 ? 0.4166 0.5233 0.4212 0.1121 -0.0384 -0.0587 82 LEU C C 3534 O O . LEU C 83 ? 0.4196 0.4914 0.4195 0.1064 -0.0492 -0.0622 82 LEU C O 3535 C CB . LEU C 83 ? 0.4274 0.5667 0.4517 0.1321 -0.0459 -0.0653 82 LEU C CB 3536 C CG . LEU C 83 ? 0.4638 0.5769 0.4821 0.1506 -0.0653 -0.0846 82 LEU C CG 3537 C CD1 . LEU C 83 ? 0.4564 0.5249 0.4800 0.1355 -0.0808 -0.0802 82 LEU C CD1 3538 C CD2 . LEU C 83 ? 0.4754 0.6157 0.4995 0.1782 -0.0716 -0.0991 82 LEU C CD2 3539 N N . ASP C 84 ? 0.4217 0.5591 0.4208 0.1213 -0.0263 -0.0574 83 ASP C N 3540 C CA . ASP C 84 ? 0.4375 0.5667 0.4212 0.1280 -0.0265 -0.0643 83 ASP C CA 3541 C C . ASP C 84 ? 0.4169 0.5184 0.3969 0.1051 -0.0232 -0.0542 83 ASP C C 3542 O O . ASP C 84 ? 0.4103 0.5000 0.3791 0.1088 -0.0256 -0.0599 83 ASP C O 3543 C CB . ASP C 84 ? 0.4595 0.6360 0.4368 0.1455 -0.0133 -0.0625 83 ASP C CB 3544 C CG . ASP C 84 ? 0.5386 0.7404 0.5106 0.1782 -0.0207 -0.0817 83 ASP C CG 3545 O OD1 . ASP C 84 ? 0.5924 0.7757 0.5706 0.1860 -0.0362 -0.0950 83 ASP C OD1 3546 O OD2 . ASP C 84 ? 0.6127 0.8561 0.5742 0.1986 -0.0117 -0.0835 83 ASP C OD2 3547 N N . ASP C 85 ? 0.3909 0.4832 0.3801 0.0840 -0.0196 -0.0414 84 ASP C N 3548 C CA . ASP C 85 ? 0.3659 0.4324 0.3510 0.0658 -0.0189 -0.0350 84 ASP C CA 3549 C C . ASP C 85 ? 0.3703 0.4041 0.3527 0.0634 -0.0327 -0.0404 84 ASP C C 3550 O O . ASP C 85 ? 0.3595 0.3756 0.3383 0.0514 -0.0328 -0.0353 84 ASP C O 3551 C CB . ASP C 85 ? 0.3480 0.4180 0.3432 0.0481 -0.0131 -0.0230 84 ASP C CB 3552 C CG . ASP C 85 ? 0.3598 0.4604 0.3665 0.0459 -0.0020 -0.0122 84 ASP C CG 3553 O OD1 . ASP C 85 ? 0.3818 0.4998 0.3839 0.0541 0.0051 -0.0097 84 ASP C OD1 3554 O OD2 . ASP C 85 ? 0.3898 0.4995 0.4125 0.0364 -0.0017 -0.0046 84 ASP C OD2 3555 N N . THR C 86 ? 0.3739 0.4018 0.3612 0.0749 -0.0452 -0.0486 85 THR C N 3556 C CA . THR C 86 ? 0.3867 0.3847 0.3782 0.0723 -0.0611 -0.0496 85 THR C CA 3557 C C . THR C 86 ? 0.3985 0.3809 0.3851 0.0760 -0.0671 -0.0563 85 THR C C 3558 O O . THR C 86 ? 0.4158 0.4030 0.3981 0.0942 -0.0728 -0.0712 85 THR C O 3559 C CB . THR C 86 ? 0.4108 0.4035 0.4124 0.0858 -0.0768 -0.0578 85 THR C CB 3560 O OG1 . THR C 86 ? 0.3961 0.4030 0.4030 0.0811 -0.0720 -0.0507 85 THR C OG1 3561 C CG2 . THR C 86 ? 0.4143 0.3745 0.4273 0.0816 -0.0967 -0.0546 85 THR C CG2 3562 N N . ALA C 87 ? 0.3815 0.3484 0.3685 0.0608 -0.0666 -0.0460 86 ALA C N 3563 C CA . ALA C 87 ? 0.3889 0.3455 0.3718 0.0616 -0.0693 -0.0502 86 ALA C CA 3564 C C . ALA C 87 ? 0.3804 0.3263 0.3666 0.0435 -0.0668 -0.0353 86 ALA C C 3565 O O . ALA C 87 ? 0.3822 0.3330 0.3700 0.0324 -0.0613 -0.0229 86 ALA C O 3566 C CB . ALA C 87 ? 0.3756 0.3543 0.3439 0.0680 -0.0539 -0.0550 86 ALA C CB 3567 N N . THR C 88 ? 0.3731 0.3090 0.3592 0.0423 -0.0705 -0.0370 87 THR C N 3568 C CA . THR C 88 ? 0.3586 0.2923 0.3466 0.0274 -0.0651 -0.0232 87 THR C CA 3569 C C . THR C 88 ? 0.3473 0.2925 0.3205 0.0263 -0.0497 -0.0258 87 THR C C 3570 O O . THR C 88 ? 0.3543 0.3019 0.3200 0.0365 -0.0492 -0.0367 87 THR C O 3571 C CB . THR C 88 ? 0.3671 0.2822 0.3718 0.0246 -0.0819 -0.0199 87 THR C CB 3572 O OG1 . THR C 88 ? 0.3883 0.2914 0.4124 0.0235 -0.0985 -0.0132 87 THR C OG1 3573 C CG2 . THR C 88 ? 0.3260 0.2462 0.3329 0.0110 -0.0742 -0.0050 87 THR C CG2 3574 N N . TYR C 89 ? 0.3400 0.2934 0.3094 0.0156 -0.0387 -0.0161 88 TYR C N 3575 C CA . TYR C 89 ? 0.3334 0.2947 0.2927 0.0133 -0.0266 -0.0171 88 TYR C CA 3576 C C . TYR C 89 ? 0.3308 0.2882 0.2916 0.0065 -0.0263 -0.0112 88 TYR C C 3577 O O . TYR C 89 ? 0.3443 0.3053 0.3101 0.0001 -0.0271 -0.0013 88 TYR C O 3578 C CB . TYR C 89 ? 0.3167 0.2897 0.2733 0.0091 -0.0180 -0.0146 88 TYR C CB 3579 C CG . TYR C 89 ? 0.3343 0.3158 0.2928 0.0156 -0.0173 -0.0188 88 TYR C CG 3580 C CD1 . TYR C 89 ? 0.3218 0.3031 0.2858 0.0187 -0.0242 -0.0192 88 TYR C CD1 3581 C CD2 . TYR C 89 ? 0.3280 0.3214 0.2849 0.0194 -0.0101 -0.0200 88 TYR C CD2 3582 C CE1 . TYR C 89 ? 0.3216 0.3146 0.2885 0.0266 -0.0234 -0.0234 88 TYR C CE1 3583 C CE2 . TYR C 89 ? 0.3186 0.3278 0.2794 0.0267 -0.0083 -0.0211 88 TYR C CE2 3584 C CZ . TYR C 89 ? 0.3393 0.3485 0.3047 0.0307 -0.0147 -0.0242 88 TYR C CZ 3585 O OH . TYR C 89 ? 0.3691 0.3979 0.3393 0.0396 -0.0126 -0.0256 88 TYR C OH 3586 N N . ILE C 90 ? 0.3247 0.2791 0.2811 0.0093 -0.0248 -0.0158 89 ILE C N 3587 C CA . ILE C 90 ? 0.3229 0.2738 0.2833 0.0046 -0.0264 -0.0113 89 ILE C CA 3588 C C . ILE C 90 ? 0.3267 0.2833 0.2784 0.0033 -0.0164 -0.0123 89 ILE C C 3589 O O . ILE C 90 ? 0.3267 0.2840 0.2711 0.0081 -0.0126 -0.0174 89 ILE C O 3590 C CB . ILE C 90 ? 0.3360 0.2744 0.3034 0.0099 -0.0394 -0.0171 89 ILE C CB 3591 C CG1 . ILE C 90 ? 0.3470 0.2751 0.3300 0.0104 -0.0547 -0.0154 89 ILE C CG1 3592 C CG2 . ILE C 90 ? 0.3241 0.2615 0.2980 0.0044 -0.0408 -0.0118 89 ILE C CG2 3593 C CD1 . ILE C 90 ? 0.3653 0.2783 0.3546 0.0213 -0.0723 -0.0290 89 ILE C CD1 3594 N N . CYS C 91 ? 0.3354 0.2985 0.2888 -0.0019 -0.0130 -0.0061 90 CYS C N 3595 C CA . CYS C 91 ? 0.3481 0.3150 0.2957 -0.0018 -0.0065 -0.0084 90 CYS C CA 3596 C C . CYS C 91 ? 0.3398 0.3037 0.2914 -0.0018 -0.0095 -0.0070 90 CYS C C 3597 O O . CYS C 91 ? 0.3293 0.2958 0.2919 -0.0051 -0.0148 0.0002 90 CYS C O 3598 C CB . CYS C 91 ? 0.3477 0.3278 0.2940 -0.0031 -0.0030 -0.0054 90 CYS C CB 3599 S SG . CYS C 91 ? 0.4205 0.4038 0.3618 0.0002 0.0006 -0.0119 90 CYS C SG 3600 N N . VAL C 92 ? 0.3428 0.3025 0.2886 0.0013 -0.0071 -0.0119 91 VAL C N 3601 C CA . VAL C 92 ? 0.3487 0.3058 0.2974 0.0024 -0.0105 -0.0121 91 VAL C CA 3602 C C . VAL C 92 ? 0.3493 0.3089 0.2936 0.0038 -0.0051 -0.0136 91 VAL C C 3603 O O . VAL C 92 ? 0.3581 0.3145 0.2969 0.0055 -0.0018 -0.0156 91 VAL C O 3604 C CB . VAL C 92 ? 0.3562 0.3048 0.3014 0.0090 -0.0172 -0.0183 91 VAL C CB 3605 C CG1 . VAL C 92 ? 0.3407 0.2857 0.2914 0.0104 -0.0246 -0.0197 91 VAL C CG1 3606 C CG2 . VAL C 92 ? 0.3683 0.3121 0.3179 0.0111 -0.0253 -0.0210 91 VAL C CG2 3607 N N . VAL C 93 ? 0.3437 0.3102 0.2937 0.0031 -0.0053 -0.0111 92 VAL C N 3608 C CA . VAL C 93 ? 0.3309 0.2986 0.2779 0.0067 -0.0025 -0.0146 92 VAL C CA 3609 C C . VAL C 93 ? 0.3314 0.2956 0.2809 0.0086 -0.0062 -0.0146 92 VAL C C 3610 O O . VAL C 93 ? 0.3167 0.2864 0.2761 0.0064 -0.0105 -0.0106 92 VAL C O 3611 C CB . VAL C 93 ? 0.3387 0.3228 0.2880 0.0090 0.0005 -0.0148 92 VAL C CB 3612 C CG1 . VAL C 93 ? 0.3414 0.3237 0.2887 0.0156 0.0001 -0.0223 92 VAL C CG1 3613 C CG2 . VAL C 93 ? 0.3354 0.3257 0.2808 0.0090 0.0025 -0.0160 92 VAL C CG2 3614 N N . GLY C 94 ? 0.3202 0.2762 0.2635 0.0122 -0.0061 -0.0170 93 GLY C N 3615 C CA . GLY C 94 ? 0.3208 0.2747 0.2644 0.0157 -0.0103 -0.0175 93 GLY C CA 3616 C C . GLY C 94 ? 0.3223 0.2804 0.2703 0.0182 -0.0092 -0.0187 93 GLY C C 3617 O O . GLY C 94 ? 0.3227 0.2774 0.2695 0.0200 -0.0075 -0.0209 93 GLY C O 3618 N N . ASP C 95 ? 0.3222 0.2882 0.2782 0.0191 -0.0123 -0.0178 94 ASP C N 3619 C CA . ASP C 95 ? 0.3133 0.2889 0.2746 0.0237 -0.0112 -0.0198 94 ASP C CA 3620 C C . ASP C 95 ? 0.3307 0.2966 0.2895 0.0291 -0.0151 -0.0219 94 ASP C C 3621 O O . ASP C 95 ? 0.3439 0.3162 0.3079 0.0347 -0.0160 -0.0251 94 ASP C O 3622 C CB . ASP C 95 ? 0.3040 0.3020 0.2797 0.0218 -0.0109 -0.0141 94 ASP C CB 3623 C CG . ASP C 95 ? 0.3062 0.3021 0.2932 0.0175 -0.0192 -0.0095 94 ASP C CG 3624 O OD1 . ASP C 95 ? 0.2995 0.2799 0.2795 0.0203 -0.0249 -0.0142 94 ASP C OD1 3625 O OD2 . ASP C 95 ? 0.2790 0.2906 0.2841 0.0120 -0.0216 -0.0003 94 ASP C OD2 3626 N N . ARG C 96 ? 0.3339 0.2876 0.2844 0.0292 -0.0176 -0.0197 95 ARG C N 3627 C CA . ARG C 96 ? 0.3427 0.2891 0.2900 0.0344 -0.0210 -0.0178 95 ARG C CA 3628 C C . ARG C 96 ? 0.3498 0.2889 0.2886 0.0341 -0.0194 -0.0107 95 ARG C C 3629 O O . ARG C 96 ? 0.3551 0.2962 0.2880 0.0316 -0.0163 -0.0094 95 ARG C O 3630 C CB . ARG C 96 ? 0.3449 0.2948 0.2923 0.0381 -0.0273 -0.0184 95 ARG C CB 3631 C CG . ARG C 96 ? 0.3562 0.3179 0.3180 0.0377 -0.0298 -0.0211 95 ARG C CG 3632 C CD . ARG C 96 ? 0.3464 0.3128 0.3148 0.0435 -0.0291 -0.0234 95 ARG C CD 3633 N NE . ARG C 96 ? 0.3422 0.3261 0.3250 0.0444 -0.0317 -0.0232 95 ARG C NE 3634 C CZ . ARG C 96 ? 0.3679 0.3728 0.3631 0.0415 -0.0275 -0.0206 95 ARG C CZ 3635 N NH1 . ARG C 96 ? 0.3580 0.3829 0.3710 0.0412 -0.0303 -0.0161 95 ARG C NH1 3636 N NH2 . ARG C 96 ? 0.3633 0.3726 0.3546 0.0390 -0.0208 -0.0202 95 ARG C NH2 3637 N N . GLY C 97 ? 0.3499 0.2830 0.2902 0.0368 -0.0219 -0.0040 96 GLY C N 3638 C CA . GLY C 97 ? 0.3570 0.2909 0.2922 0.0365 -0.0200 0.0092 96 GLY C CA 3639 C C . GLY C 97 ? 0.3670 0.3116 0.2883 0.0442 -0.0210 0.0145 96 GLY C C 3640 O O . GLY C 97 ? 0.3789 0.3298 0.2976 0.0468 -0.0200 0.0299 96 GLY C O 3641 N N . SER C 98 ? 0.3562 0.3046 0.2707 0.0485 -0.0245 0.0030 97 SER C N 3642 C CA . SER C 98 ? 0.3681 0.3263 0.2682 0.0591 -0.0293 0.0016 97 SER C CA 3643 C C . SER C 98 ? 0.3639 0.3219 0.2630 0.0611 -0.0362 -0.0137 97 SER C C 3644 O O . SER C 98 ? 0.3641 0.3163 0.2753 0.0527 -0.0356 -0.0189 97 SER C O 3645 C CB . SER C 98 ? 0.3766 0.3335 0.2783 0.0642 -0.0355 0.0038 97 SER C CB 3646 O OG . SER C 98 ? 0.3697 0.3217 0.2821 0.0623 -0.0419 -0.0083 97 SER C OG 3647 N N . ALA C 99 ? 0.3770 0.3422 0.2637 0.0732 -0.0447 -0.0203 98 ALA C N 3648 C CA . ALA C 99 ? 0.3922 0.3538 0.2818 0.0770 -0.0575 -0.0363 98 ALA C CA 3649 C C . ALA C 99 ? 0.3880 0.3407 0.3011 0.0676 -0.0653 -0.0406 98 ALA C C 3650 O O . ALA C 99 ? 0.3926 0.3403 0.3178 0.0660 -0.0770 -0.0496 98 ALA C O 3651 C CB . ALA C 99 ? 0.4082 0.3799 0.2794 0.0953 -0.0686 -0.0451 98 ALA C CB 3652 N N . LEU C 100 ? 0.3859 0.3387 0.3081 0.0623 -0.0603 -0.0332 99 LEU C N 3653 C CA . LEU C 100 ? 0.3781 0.3314 0.3239 0.0541 -0.0640 -0.0337 99 LEU C CA 3654 C C . LEU C 100 ? 0.3617 0.3164 0.3208 0.0429 -0.0569 -0.0302 99 LEU C C 3655 O O . LEU C 100 ? 0.3424 0.3043 0.3229 0.0359 -0.0598 -0.0274 99 LEU C O 3656 C CB . LEU C 100 ? 0.3688 0.3256 0.3190 0.0553 -0.0603 -0.0286 99 LEU C CB 3657 C CG . LEU C 100 ? 0.3862 0.3434 0.3262 0.0660 -0.0685 -0.0299 99 LEU C CG 3658 C CD1 . LEU C 100 ? 0.3814 0.3403 0.3293 0.0672 -0.0666 -0.0253 99 LEU C CD1 3659 C CD2 . LEU C 100 ? 0.3900 0.3484 0.3356 0.0706 -0.0854 -0.0403 99 LEU C CD2 3660 N N . GLY C 101 ? 0.3664 0.3179 0.3136 0.0416 -0.0479 -0.0282 100 GLY C N 3661 C CA . GLY C 101 ? 0.3564 0.3101 0.3119 0.0328 -0.0408 -0.0249 100 GLY C CA 3662 C C . GLY C 101 ? 0.3617 0.3137 0.3283 0.0285 -0.0494 -0.0269 100 GLY C C 3663 O O . GLY C 101 ? 0.3711 0.3163 0.3346 0.0344 -0.0615 -0.0347 100 GLY C O 3664 N N . ARG C 102 ? 0.3497 0.3095 0.3310 0.0197 -0.0452 -0.0200 103 ARG C N 3665 C CA . ARG C 102 ? 0.3516 0.3091 0.3457 0.0136 -0.0519 -0.0175 103 ARG C CA 3666 C C . ARG C 102 ? 0.3444 0.3015 0.3269 0.0118 -0.0412 -0.0159 103 ARG C C 3667 O O . ARG C 102 ? 0.3309 0.2951 0.3060 0.0116 -0.0292 -0.0135 103 ARG C O 3668 C CB . ARG C 102 ? 0.3474 0.3203 0.3706 0.0041 -0.0552 -0.0048 103 ARG C CB 3669 C CG . ARG C 102 ? 0.3707 0.3463 0.4130 0.0038 -0.0679 -0.0042 103 ARG C CG 3670 C CD . ARG C 102 ? 0.4129 0.3692 0.4635 0.0062 -0.0897 -0.0140 103 ARG C CD 3671 N NE . ARG C 102 ? 0.4635 0.4228 0.5346 0.0059 -0.1036 -0.0141 103 ARG C NE 3672 C CZ . ARG C 102 ? 0.4695 0.4348 0.5799 -0.0045 -0.1183 -0.0027 103 ARG C CZ 3673 N NH1 . ARG C 102 ? 0.4539 0.4223 0.5874 -0.0157 -0.1216 0.0112 103 ARG C NH1 3674 N NH2 . ARG C 102 ? 0.4372 0.4061 0.5665 -0.0042 -0.1313 -0.0035 103 ARG C NH2 3675 N N . LEU C 103 ? 0.3521 0.3002 0.3351 0.0116 -0.0479 -0.0189 104 LEU C N 3676 C CA . LEU C 103 ? 0.3482 0.2962 0.3236 0.0095 -0.0402 -0.0172 104 LEU C CA 3677 C C . LEU C 103 ? 0.3420 0.2984 0.3375 -0.0001 -0.0417 -0.0055 104 LEU C C 3678 O O . LEU C 103 ? 0.3459 0.3004 0.3638 -0.0049 -0.0550 -0.0001 104 LEU C O 3679 C CB . LEU C 103 ? 0.3551 0.2922 0.3201 0.0171 -0.0471 -0.0272 104 LEU C CB 3680 C CG . LEU C 103 ? 0.3771 0.3146 0.3206 0.0286 -0.0439 -0.0347 104 LEU C CG 3681 C CD1 . LEU C 103 ? 0.3988 0.3343 0.3319 0.0395 -0.0500 -0.0446 104 LEU C CD1 3682 C CD2 . LEU C 103 ? 0.3679 0.3120 0.3017 0.0261 -0.0284 -0.0278 104 LEU C CD2 3683 N N . HIS C 104 ? 0.3286 0.2955 0.3181 -0.0025 -0.0299 -0.0003 105 HIS C N 3684 C CA . HIS C 104 ? 0.3202 0.3025 0.3246 -0.0098 -0.0285 0.0137 105 HIS C CA 3685 C C . HIS C 104 ? 0.3210 0.2973 0.3171 -0.0100 -0.0267 0.0122 105 HIS C C 3686 O O . HIS C 104 ? 0.3213 0.2979 0.3000 -0.0062 -0.0175 0.0057 105 HIS C O 3687 C CB . HIS C 104 ? 0.3226 0.3287 0.3236 -0.0081 -0.0166 0.0187 105 HIS C CB 3688 C CG . HIS C 104 ? 0.3205 0.3347 0.3282 -0.0058 -0.0170 0.0188 105 HIS C CG 3689 N ND1 . HIS C 104 ? 0.3391 0.3773 0.3693 -0.0102 -0.0183 0.0338 105 HIS C ND1 3690 C CD2 . HIS C 104 ? 0.3095 0.3133 0.3068 0.0002 -0.0168 0.0076 105 HIS C CD2 3691 C CE1 . HIS C 104 ? 0.3442 0.3860 0.3766 -0.0062 -0.0187 0.0297 105 HIS C CE1 3692 N NE2 . HIS C 104 ? 0.3371 0.3568 0.3487 0.0003 -0.0181 0.0135 105 HIS C NE2 3693 N N . PHE C 105 ? 0.3260 0.2952 0.3378 -0.0145 -0.0380 0.0181 106 PHE C N 3694 C CA . PHE C 105 ? 0.3232 0.2833 0.3293 -0.0133 -0.0399 0.0149 106 PHE C CA 3695 C C . PHE C 105 ? 0.3152 0.2929 0.3285 -0.0193 -0.0349 0.0306 106 PHE C C 3696 O O . PHE C 105 ? 0.3123 0.3034 0.3474 -0.0266 -0.0392 0.0485 106 PHE C O 3697 C CB . PHE C 105 ? 0.3314 0.2715 0.3515 -0.0118 -0.0588 0.0097 106 PHE C CB 3698 C CG . PHE C 105 ? 0.3527 0.2792 0.3589 -0.0006 -0.0642 -0.0091 106 PHE C CG 3699 C CD1 . PHE C 105 ? 0.3588 0.2839 0.3682 0.0011 -0.0689 -0.0127 106 PHE C CD1 3700 C CD2 . PHE C 105 ? 0.3730 0.2929 0.3630 0.0096 -0.0644 -0.0223 106 PHE C CD2 3701 C CE1 . PHE C 105 ? 0.3942 0.3113 0.3882 0.0137 -0.0741 -0.0294 106 PHE C CE1 3702 C CE2 . PHE C 105 ? 0.3847 0.3010 0.3597 0.0228 -0.0679 -0.0377 106 PHE C CE2 3703 C CZ . PHE C 105 ? 0.3855 0.3002 0.3614 0.0252 -0.0730 -0.0413 106 PHE C CZ 3704 N N . GLY C 106 ? 0.3040 0.2839 0.3010 -0.0161 -0.0268 0.0257 107 GLY C N 3705 C CA . GLY C 106 ? 0.3107 0.3043 0.3128 -0.0197 -0.0254 0.0388 107 GLY C CA 3706 C C . GLY C 106 ? 0.3332 0.3107 0.3518 -0.0230 -0.0400 0.0433 107 GLY C C 3707 O O . GLY C 106 ? 0.3399 0.2951 0.3594 -0.0188 -0.0501 0.0299 107 GLY C O 3708 N N . ALA C 107 ? 0.3358 0.3261 0.3676 -0.0286 -0.0424 0.0619 108 ALA C N 3709 C CA . ALA C 107 ? 0.3599 0.3339 0.4123 -0.0322 -0.0591 0.0688 108 ALA C CA 3710 C C . ALA C 107 ? 0.3652 0.3272 0.4028 -0.0254 -0.0594 0.0553 108 ALA C C 3711 O O . ALA C 107 ? 0.3934 0.3408 0.4460 -0.0256 -0.0738 0.0576 108 ALA C O 3712 C CB . ALA C 107 ? 0.3601 0.3548 0.4392 -0.0425 -0.0636 0.1005 108 ALA C CB 3713 N N . GLY C 108 ? 0.3703 0.3391 0.3822 -0.0194 -0.0452 0.0422 109 GLY C N 3714 C CA . GLY C 108 ? 0.3605 0.3208 0.3613 -0.0130 -0.0452 0.0297 109 GLY C CA 3715 C C . GLY C 108 ? 0.3671 0.3404 0.3647 -0.0141 -0.0419 0.0383 109 GLY C C 3716 O O . GLY C 108 ? 0.3746 0.3628 0.3819 -0.0195 -0.0430 0.0575 109 GLY C O 3717 N N . THR C 109 ? 0.3629 0.3346 0.3476 -0.0086 -0.0376 0.0256 110 THR C N 3718 C CA . THR C 109 ? 0.3574 0.3381 0.3395 -0.0079 -0.0374 0.0300 110 THR C CA 3719 C C . THR C 109 ? 0.3670 0.3330 0.3549 -0.0024 -0.0464 0.0213 110 THR C C 3720 O O . THR C 109 ? 0.3644 0.3247 0.3460 0.0037 -0.0440 0.0064 110 THR C O 3721 C CB . THR C 109 ? 0.3536 0.3468 0.3190 -0.0052 -0.0267 0.0208 110 THR C CB 3722 O OG1 . THR C 109 ? 0.3434 0.3530 0.3019 -0.0062 -0.0202 0.0256 110 THR C OG1 3723 C CG2 . THR C 109 ? 0.3445 0.3452 0.3084 -0.0032 -0.0293 0.0223 110 THR C CG2 3724 N N . GLN C 110 ? 0.3806 0.3436 0.3811 -0.0033 -0.0571 0.0316 111 GLN C N 3725 C CA . GLN C 110 ? 0.3950 0.3459 0.4016 0.0043 -0.0673 0.0221 111 GLN C CA 3726 C C . GLN C 110 ? 0.3815 0.3453 0.3773 0.0077 -0.0599 0.0170 111 GLN C C 3727 O O . GLN C 110 ? 0.3895 0.3656 0.3833 0.0039 -0.0582 0.0282 111 GLN C O 3728 C CB . GLN C 110 ? 0.4166 0.3553 0.4461 0.0020 -0.0856 0.0360 111 GLN C CB 3729 C CG . GLN C 110 ? 0.4885 0.4156 0.5372 -0.0046 -0.0964 0.0464 111 GLN C CG 3730 C CD . GLN C 110 ? 0.5890 0.4941 0.6675 -0.0044 -0.1216 0.0537 111 GLN C CD 3731 O OE1 . GLN C 110 ? 0.6394 0.5353 0.7215 0.0036 -0.1314 0.0461 111 GLN C OE1 3732 N NE2 . GLN C 110 ? 0.6017 0.4977 0.7054 -0.0133 -0.1344 0.0684 111 GLN C NE2 3733 N N . LEU C 111 ? 0.3616 0.3265 0.3515 0.0154 -0.0558 0.0015 112 LEU C N 3734 C CA . LEU C 111 ? 0.3501 0.3272 0.3370 0.0184 -0.0521 -0.0023 112 LEU C CA 3735 C C . LEU C 111 ? 0.3594 0.3314 0.3563 0.0286 -0.0635 -0.0080 112 LEU C C 3736 O O . LEU C 111 ? 0.3654 0.3294 0.3655 0.0385 -0.0697 -0.0187 112 LEU C O 3737 C CB . LEU C 111 ? 0.3254 0.3137 0.3051 0.0194 -0.0401 -0.0110 112 LEU C CB 3738 C CG . LEU C 111 ? 0.3463 0.3496 0.3294 0.0214 -0.0372 -0.0139 112 LEU C CG 3739 C CD1 . LEU C 111 ? 0.2944 0.3035 0.2757 0.0152 -0.0386 -0.0084 112 LEU C CD1 3740 C CD2 . LEU C 111 ? 0.3199 0.3352 0.3036 0.0212 -0.0273 -0.0173 112 LEU C CD2 3741 N N . ILE C 112 ? 0.3586 0.3359 0.3596 0.0282 -0.0677 -0.0022 113 ILE C N 3742 C CA . ILE C 112 ? 0.3577 0.3346 0.3673 0.0393 -0.0768 -0.0096 113 ILE C CA 3743 C C . ILE C 112 ? 0.3519 0.3496 0.3588 0.0401 -0.0683 -0.0129 113 ILE C C 3744 O O . ILE C 112 ? 0.3534 0.3593 0.3564 0.0323 -0.0650 -0.0055 113 ILE C O 3745 C CB . ILE C 112 ? 0.3749 0.3385 0.3979 0.0395 -0.0935 0.0006 113 ILE C CB 3746 C CG1 . ILE C 112 ? 0.3840 0.3246 0.4191 0.0386 -0.1071 0.0041 113 ILE C CG1 3747 C CG2 . ILE C 112 ? 0.3753 0.3408 0.4068 0.0526 -0.1028 -0.0089 113 ILE C CG2 3748 C CD1 . ILE C 112 ? 0.3992 0.3259 0.4543 0.0353 -0.1257 0.0208 113 ILE C CD1 3749 N N . VAL C 113 ? 0.3475 0.3571 0.3578 0.0510 -0.0658 -0.0239 114 VAL C N 3750 C CA . VAL C 113 ? 0.3325 0.3647 0.3474 0.0515 -0.0593 -0.0249 114 VAL C CA 3751 C C . VAL C 113 ? 0.3460 0.3826 0.3710 0.0639 -0.0696 -0.0296 114 VAL C C 3752 O O . VAL C 113 ? 0.3771 0.4141 0.4049 0.0790 -0.0747 -0.0400 114 VAL C O 3753 C CB . VAL C 113 ? 0.3226 0.3747 0.3379 0.0543 -0.0468 -0.0286 114 VAL C CB 3754 C CG1 . VAL C 113 ? 0.3027 0.3815 0.3309 0.0533 -0.0417 -0.0257 114 VAL C CG1 3755 C CG2 . VAL C 113 ? 0.2889 0.3343 0.2958 0.0433 -0.0386 -0.0245 114 VAL C CG2 3756 N N . ILE C 114 ? 0.6273 0.5943 0.7505 0.1393 0.0186 -0.3030 115 ILE C N 3757 C CA . ILE C 114 ? 0.5931 0.5696 0.6547 0.1253 0.0049 -0.2884 115 ILE C CA 3758 C C . ILE C 114 ? 0.5795 0.5410 0.6600 0.1129 -0.0256 -0.2781 115 ILE C C 3759 O O . ILE C 114 ? 0.5977 0.5339 0.6957 0.1110 -0.0359 -0.3032 115 ILE C O 3760 C CB . ILE C 114 ? 0.6468 0.6214 0.6324 0.1245 0.0152 -0.3182 115 ILE C CB 3761 C CG1 . ILE C 114 ? 0.6503 0.6413 0.6136 0.1328 0.0523 -0.3252 115 ILE C CG1 3762 C CG2 . ILE C 114 ? 0.6168 0.6000 0.5463 0.1128 -0.0059 -0.3001 115 ILE C CG2 3763 C CD1 . ILE C 114 ? 0.7007 0.6786 0.6034 0.1357 0.0708 -0.3675 115 ILE C CD1 3764 N N . PRO C 115 ? 0.5428 0.5199 0.6221 0.1034 -0.0379 -0.2423 116 PRO C N 3765 C CA . PRO C 115 ? 0.5387 0.5085 0.6407 0.0893 -0.0603 -0.2290 116 PRO C CA 3766 C C . PRO C 115 ? 0.5717 0.5427 0.6428 0.0804 -0.0762 -0.2494 116 PRO C C 3767 O O . PRO C 115 ? 0.5826 0.5670 0.6004 0.0836 -0.0750 -0.2566 116 PRO C O 3768 C CB . PRO C 115 ? 0.4893 0.4805 0.5883 0.0842 -0.0611 -0.1901 116 PRO C CB 3769 C CG . PRO C 115 ? 0.4841 0.4940 0.5416 0.0925 -0.0462 -0.1881 116 PRO C CG 3770 C CD . PRO C 115 ? 0.5016 0.5035 0.5605 0.1045 -0.0282 -0.2145 116 PRO C CD 3771 N N . ASP C 116 ? 0.5964 0.5520 0.7030 0.0683 -0.0931 -0.2565 117 ASP C N 3772 C CA . ASP C 116 ? 0.6483 0.6083 0.7436 0.0567 -0.1147 -0.2752 117 ASP C CA 3773 C C . ASP C 116 ? 0.6175 0.6095 0.7132 0.0482 -0.1231 -0.2474 117 ASP C C 3774 O O . ASP C 116 ? 0.5998 0.5974 0.7336 0.0388 -0.1201 -0.2204 117 ASP C O 3775 C CB . ASP C 116 ? 0.6781 0.6106 0.8262 0.0434 -0.1277 -0.2891 117 ASP C CB 3776 C CG . ASP C 116 ? 0.7670 0.6869 0.8993 0.0379 -0.1470 -0.3316 117 ASP C CG 3777 O OD1 . ASP C 116 ? 0.7973 0.7401 0.8964 0.0339 -0.1643 -0.3391 117 ASP C OD1 3778 O OD2 . ASP C 116 ? 0.8639 0.7478 1.0200 0.0375 -0.1482 -0.3584 117 ASP C OD2 3779 N N . ILE C 117 ? 0.6336 0.6452 0.6850 0.0525 -0.1325 -0.2527 118 ILE C N 3780 C CA . ILE C 117 ? 0.6125 0.6552 0.6740 0.0474 -0.1429 -0.2320 118 ILE C CA 3781 C C . ILE C 117 ? 0.6452 0.6968 0.7276 0.0361 -0.1717 -0.2537 118 ILE C C 3782 O O . ILE C 117 ? 0.6859 0.7356 0.7263 0.0410 -0.1907 -0.2761 118 ILE C O 3783 C CB . ILE C 117 ? 0.6027 0.6598 0.6108 0.0607 -0.1393 -0.2192 118 ILE C CB 3784 C CG1 . ILE C 117 ? 0.5731 0.6217 0.5633 0.0696 -0.1125 -0.2024 118 ILE C CG1 3785 C CG2 . ILE C 117 ? 0.5812 0.6690 0.6094 0.0588 -0.1506 -0.2011 118 ILE C CG2 3786 C CD1 . ILE C 117 ? 0.5061 0.5616 0.5342 0.0650 -0.1002 -0.1741 118 ILE C CD1 3787 N N . GLN C 118 ? 0.6411 0.7015 0.7871 0.0192 -0.1758 -0.2471 119 GLN C N 3788 C CA . GLN C 118 ? 0.6835 0.7520 0.8640 0.0047 -0.2041 -0.2714 119 GLN C CA 3789 C C . GLN C 118 ? 0.6719 0.7840 0.8685 0.0047 -0.2237 -0.2663 119 GLN C C 3790 O O . GLN C 118 ? 0.7080 0.8309 0.9157 -0.0008 -0.2558 -0.2901 119 GLN C O 3791 C CB . GLN C 118 ? 0.6925 0.7453 0.9400 -0.0173 -0.2012 -0.2720 119 GLN C CB 3792 N N . ASN C 119 ? 0.6307 0.7671 0.8308 0.0121 -0.2071 -0.2378 120 ASN C N 3793 C CA . ASN C 119 ? 0.6228 0.8007 0.8458 0.0168 -0.2239 -0.2337 120 ASN C CA 3794 C C . ASN C 119 ? 0.6045 0.7871 0.7768 0.0388 -0.2175 -0.2159 120 ASN C C 3795 O O . ASN C 119 ? 0.5683 0.7711 0.7629 0.0421 -0.1992 -0.1954 120 ASN C O 3796 C CB . ASN C 119 ? 0.5984 0.8095 0.9034 -0.0004 -0.2114 -0.2217 120 ASN C CB 3797 C CG . ASN C 119 ? 0.6274 0.8337 0.9894 -0.0257 -0.2210 -0.2381 120 ASN C CG 3798 O OD1 . ASN C 119 ? 0.6334 0.8244 1.0231 -0.0426 -0.1972 -0.2248 120 ASN C OD1 3799 N ND2 . ASN C 119 ? 0.6546 0.8693 1.0312 -0.0296 -0.2584 -0.2664 120 ASN C ND2 3800 N N . PRO C 120 ? 0.6316 0.7927 0.7327 0.0524 -0.2314 -0.2246 121 PRO C N 3801 C CA . PRO C 120 ? 0.6209 0.7787 0.6708 0.0706 -0.2258 -0.2059 121 PRO C CA 3802 C C . PRO C 120 ? 0.6187 0.8077 0.6949 0.0811 -0.2486 -0.1984 121 PRO C C 3803 O O . PRO C 120 ? 0.6479 0.8547 0.7475 0.0801 -0.2838 -0.2136 121 PRO C O 3804 C CB . PRO C 120 ? 0.6701 0.7963 0.6386 0.0773 -0.2351 -0.2190 121 PRO C CB 3805 C CG . PRO C 120 ? 0.7129 0.8352 0.6920 0.0662 -0.2609 -0.2500 121 PRO C CG 3806 C CD . PRO C 120 ? 0.6814 0.8175 0.7432 0.0494 -0.2516 -0.2531 121 PRO C CD 3807 N N . ASP C 121 ? 0.5891 0.7832 0.6641 0.0918 -0.2301 -0.1766 122 ASP C N 3808 C CA . ASP C 121 ? 0.5812 0.8014 0.6875 0.1056 -0.2458 -0.1688 122 ASP C CA 3809 C C . ASP C 121 ? 0.5808 0.7755 0.6280 0.1224 -0.2376 -0.1489 122 ASP C C 3810 O O . ASP C 121 ? 0.5467 0.7485 0.6151 0.1287 -0.2177 -0.1361 122 ASP C O 3811 C CB . ASP C 121 ? 0.5401 0.7955 0.7261 0.0978 -0.2227 -0.1656 122 ASP C CB 3812 C CG . ASP C 121 ? 0.5483 0.8404 0.7902 0.1118 -0.2384 -0.1659 122 ASP C CG 3813 O OD1 . ASP C 121 ? 0.5934 0.8796 0.8114 0.1297 -0.2713 -0.1646 122 ASP C OD1 3814 O OD2 . ASP C 121 ? 0.5516 0.8780 0.8623 0.1050 -0.2173 -0.1669 122 ASP C OD2 3815 N N . PRO C 122 ? 0.6204 0.7831 0.5909 0.1279 -0.2518 -0.1471 123 PRO C N 3816 C CA . PRO C 122 ? 0.6301 0.7614 0.5384 0.1376 -0.2388 -0.1266 123 PRO C CA 3817 C C . PRO C 122 ? 0.6295 0.7655 0.5576 0.1548 -0.2489 -0.1106 123 PRO C C 3818 O O . PRO C 122 ? 0.6545 0.8021 0.6001 0.1670 -0.2850 -0.1119 123 PRO C O 3819 C CB . PRO C 122 ? 0.6971 0.7998 0.5248 0.1384 -0.2587 -0.1303 123 PRO C CB 3820 C CG . PRO C 122 ? 0.7222 0.8444 0.5741 0.1359 -0.2965 -0.1515 123 PRO C CG 3821 C CD . PRO C 122 ? 0.6667 0.8205 0.6027 0.1237 -0.2823 -0.1654 123 PRO C CD 3822 N N . ALA C 123 ? 0.5968 0.7225 0.5252 0.1565 -0.2195 -0.0970 124 ALA C N 3823 C CA . ALA C 123 ? 0.5939 0.7184 0.5438 0.1733 -0.2245 -0.0854 124 ALA C CA 3824 C C . ALA C 123 ? 0.5984 0.6867 0.5032 0.1741 -0.2023 -0.0675 124 ALA C C 3825 O O . ALA C 123 ? 0.5790 0.6550 0.4560 0.1602 -0.1763 -0.0652 124 ALA C O 3826 C CB . ALA C 123 ? 0.5484 0.7123 0.5800 0.1742 -0.2120 -0.0963 124 ALA C CB 3827 N N . VAL C 124 ? 0.6248 0.6951 0.5281 0.1907 -0.2152 -0.0551 125 VAL C N 3828 C CA . VAL C 124 ? 0.6275 0.6636 0.5019 0.1901 -0.1948 -0.0403 125 VAL C CA 3829 C C . VAL C 124 ? 0.6105 0.6559 0.5400 0.2033 -0.1880 -0.0459 125 VAL C C 3830 O O . VAL C 124 ? 0.6383 0.6828 0.5954 0.2238 -0.2120 -0.0445 125 VAL C O 3831 C CB . VAL C 124 ? 0.6934 0.6834 0.5001 0.1945 -0.2113 -0.0176 125 VAL C CB 3832 C CG1 . VAL C 124 ? 0.6984 0.6524 0.4881 0.1923 -0.1916 -0.0028 125 VAL C CG1 3833 C CG2 . VAL C 124 ? 0.7062 0.6879 0.4514 0.1795 -0.2085 -0.0161 125 VAL C CG2 3834 N N . TYR C 125 ? 0.5698 0.6238 0.5148 0.1923 -0.1563 -0.0536 126 TYR C N 3835 C CA . TYR C 125 ? 0.5574 0.6194 0.5455 0.2019 -0.1425 -0.0640 126 TYR C CA 3836 C C . TYR C 125 ? 0.5767 0.5955 0.5334 0.2018 -0.1311 -0.0555 126 TYR C C 3837 O O . TYR C 125 ? 0.5761 0.5703 0.4869 0.1865 -0.1228 -0.0434 126 TYR C O 3838 C CB . TYR C 125 ? 0.5181 0.6165 0.5381 0.1879 -0.1156 -0.0793 126 TYR C CB 3839 C CG . TYR C 125 ? 0.4878 0.6281 0.5477 0.1838 -0.1241 -0.0887 126 TYR C CG 3840 C CD1 . TYR C 125 ? 0.4746 0.6451 0.5930 0.2000 -0.1420 -0.0987 126 TYR C CD1 3841 C CD2 . TYR C 125 ? 0.4776 0.6270 0.5242 0.1636 -0.1160 -0.0886 126 TYR C CD2 3842 C CE1 . TYR C 125 ? 0.4641 0.6748 0.6265 0.1932 -0.1519 -0.1087 126 TYR C CE1 3843 C CE2 . TYR C 125 ? 0.4575 0.6404 0.5433 0.1574 -0.1252 -0.0986 126 TYR C CE2 3844 C CZ . TYR C 125 ? 0.4460 0.6603 0.5894 0.1708 -0.1432 -0.1086 126 TYR C CZ 3845 O OH . TYR C 125 ? 0.4281 0.6773 0.6174 0.1619 -0.1540 -0.1197 126 TYR C OH 3846 N N . GLN C 126 ? 0.5941 0.6051 0.5820 0.2187 -0.1301 -0.0642 127 GLN C N 3847 C CA . GLN C 126 ? 0.6204 0.5907 0.5865 0.2172 -0.1178 -0.0628 127 GLN C CA 3848 C C . GLN C 126 ? 0.5971 0.5854 0.5793 0.2090 -0.0880 -0.0841 127 GLN C C 3849 O O . GLN C 126 ? 0.5921 0.6136 0.6200 0.2191 -0.0780 -0.1029 127 GLN C O 3850 C CB . GLN C 126 ? 0.6677 0.6039 0.6501 0.2421 -0.1376 -0.0593 127 GLN C CB 3851 C CG . GLN C 126 ? 0.7138 0.5947 0.6666 0.2377 -0.1309 -0.0538 127 GLN C CG 3852 C CD . GLN C 126 ? 0.8195 0.6553 0.7841 0.2622 -0.1556 -0.0441 127 GLN C CD 3853 O OE1 . GLN C 126 ? 0.8261 0.6784 0.8420 0.2886 -0.1699 -0.0546 127 GLN C OE1 3854 N NE2 . GLN C 126 ? 0.8687 0.6468 0.7908 0.2531 -0.1614 -0.0229 127 GLN C NE2 3855 N N . LEU C 127 ? 0.5890 0.5564 0.5329 0.1896 -0.0742 -0.0807 128 LEU C N 3856 C CA . LEU C 127 ? 0.5824 0.5582 0.5232 0.1788 -0.0501 -0.0980 128 LEU C CA 3857 C C . LEU C 127 ? 0.6211 0.5518 0.5430 0.1800 -0.0480 -0.1048 128 LEU C C 3858 O O . LEU C 127 ? 0.6448 0.5392 0.5424 0.1738 -0.0599 -0.0889 128 LEU C O 3859 C CB . LEU C 127 ? 0.5419 0.5312 0.4554 0.1539 -0.0420 -0.0891 128 LEU C CB 3860 C CG . LEU C 127 ? 0.4939 0.5239 0.4258 0.1485 -0.0402 -0.0864 128 LEU C CG 3861 C CD1 . LEU C 127 ? 0.4736 0.5064 0.4129 0.1575 -0.0611 -0.0751 128 LEU C CD1 3862 C CD2 . LEU C 127 ? 0.4448 0.4803 0.3531 0.1262 -0.0326 -0.0783 128 LEU C CD2 3863 N N . ARG C 128 ? 0.6436 0.5750 0.5752 0.1858 -0.0310 -0.1296 129 ARG C N 3864 C CA . ARG C 128 ? 0.6977 0.5818 0.6103 0.1863 -0.0302 -0.1414 129 ARG C CA 3865 C C . ARG C 128 ? 0.7068 0.5845 0.5781 0.1627 -0.0171 -0.1520 129 ARG C C 3866 O O . ARG C 128 ? 0.6791 0.5903 0.5407 0.1523 -0.0016 -0.1579 129 ARG C O 3867 C CB . ARG C 128 ? 0.7395 0.6135 0.6904 0.2143 -0.0254 -0.1655 129 ARG C CB 3868 C CG . ARG C 128 ? 0.7764 0.6456 0.7673 0.2395 -0.0491 -0.1511 129 ARG C CG 3869 C CD . ARG C 128 ? 0.8819 0.7310 0.9158 0.2694 -0.0478 -0.1751 129 ARG C CD 3870 N NE . ARG C 128 ? 0.9510 0.7753 1.0156 0.2944 -0.0789 -0.1576 129 ARG C NE 3871 C CZ . ARG C 128 ? 1.0112 0.7783 1.0464 0.2916 -0.1026 -0.1316 129 ARG C CZ 3872 N NH1 . ARG C 128 ? 1.0305 0.7644 1.0133 0.2638 -0.0978 -0.1213 129 ARG C NH1 3873 N NH2 . ARG C 128 ? 1.0496 0.7929 1.1091 0.3156 -0.1324 -0.1137 129 ARG C NH2 3874 N N . ASP C 129 ? 0.7501 0.5821 0.5972 0.1530 -0.0266 -0.1521 130 ASP C N 3875 C CA . ASP C 129 ? 0.7838 0.6012 0.5919 0.1307 -0.0238 -0.1628 130 ASP C CA 3876 C C . ASP C 129 ? 0.8265 0.6491 0.6175 0.1342 -0.0028 -0.1959 130 ASP C C 3877 O O . ASP C 129 ? 0.8592 0.6679 0.6696 0.1549 0.0074 -0.2198 130 ASP C O 3878 C CB . ASP C 129 ? 0.8283 0.5918 0.6278 0.1227 -0.0398 -0.1608 130 ASP C CB 3879 C CG . ASP C 129 ? 0.8580 0.6085 0.6230 0.0956 -0.0461 -0.1677 130 ASP C CG 3880 O OD1 . ASP C 129 ? 0.8853 0.6410 0.6208 0.0905 -0.0371 -0.1910 130 ASP C OD1 3881 O OD2 . ASP C 129 ? 0.8908 0.6253 0.6581 0.0785 -0.0609 -0.1497 130 ASP C OD2 3882 N N . SER C 130 ? 0.8378 0.6784 0.5910 0.1140 0.0032 -0.1968 131 SER C N 3883 C CA . SER C 130 ? 0.8933 0.7397 0.6123 0.1111 0.0259 -0.2246 131 SER C CA 3884 C C . SER C 130 ? 0.9698 0.7697 0.6654 0.1150 0.0283 -0.2588 131 SER C C 3885 O O . SER C 130 ? 1.0103 0.8118 0.7007 0.1274 0.0542 -0.2901 131 SER C O 3886 C CB . SER C 130 ? 0.8918 0.7550 0.5635 0.0854 0.0233 -0.2116 131 SER C CB 3887 O OG . SER C 130 ? 0.9461 0.7751 0.5718 0.0670 0.0048 -0.2190 131 SER C OG 3888 N N . LYS C 131 ? 0.9963 0.7552 0.6816 0.1037 0.0032 -0.2549 132 LYS C N 3889 C CA . LYS C 131 ? 1.0809 0.7885 0.7411 0.1027 0.0006 -0.2889 132 LYS C CA 3890 C C . LYS C 131 ? 1.1035 0.7691 0.8084 0.1219 -0.0080 -0.2931 132 LYS C C 3891 O O . LYS C 131 ? 1.1701 0.7938 0.8694 0.1315 -0.0029 -0.3274 132 LYS C O 3892 C CB . LYS C 131 ? 1.1078 0.7939 0.7222 0.0721 -0.0236 -0.2871 132 LYS C CB 3893 N N . SER C 132 ? 1.0641 0.7367 0.8094 0.1275 -0.0213 -0.2585 133 SER C N 3894 C CA . SER C 132 ? 1.0988 0.7259 0.8802 0.1439 -0.0333 -0.2541 133 SER C CA 3895 C C . SER C 132 ? 1.0612 0.7138 0.8883 0.1696 -0.0324 -0.2329 133 SER C C 3896 O O . SER C 132 ? 1.0195 0.6845 0.8552 0.1633 -0.0455 -0.1969 133 SER C O 3897 C CB . SER C 132 ? 1.1057 0.6969 0.8820 0.1198 -0.0571 -0.2305 133 SER C CB 3898 O OG . SER C 132 ? 1.1681 0.7048 0.9719 0.1332 -0.0679 -0.2257 133 SER C OG 3899 N N . SER C 133 ? 1.0788 0.7398 0.9360 0.1984 -0.0170 -0.2579 134 SER C N 3900 C CA . SER C 133 ? 1.0472 0.7362 0.9562 0.2259 -0.0195 -0.2439 134 SER C CA 3901 C C . SER C 133 ? 1.0445 0.7010 0.9681 0.2304 -0.0487 -0.2064 134 SER C C 3902 O O . SER C 133 ? 1.0066 0.6953 0.9490 0.2382 -0.0582 -0.1806 134 SER C O 3903 C CB . SER C 133 ? 1.0908 0.7779 1.0424 0.2587 -0.0027 -0.2815 134 SER C CB 3904 O OG . SER C 133 ? 1.1609 0.7843 1.1018 0.2627 -0.0036 -0.3094 134 SER C OG 3905 N N . ASP C 134 ? 1.0856 0.6765 0.9963 0.2230 -0.0625 -0.2038 135 ASP C N 3906 C CA . ASP C 134 ? 1.0919 0.6406 1.0015 0.2183 -0.0869 -0.1649 135 ASP C CA 3907 C C . ASP C 134 ? 1.0301 0.6141 0.9180 0.1976 -0.0922 -0.1262 135 ASP C C 3908 O O . ASP C 134 ? 1.0294 0.6079 0.9224 0.2065 -0.1072 -0.0956 135 ASP C O 3909 C CB . ASP C 134 ? 1.1527 0.6323 1.0443 0.1994 -0.0947 -0.1695 135 ASP C CB 3910 N N . LYS C 135 ? 0.9780 0.5957 0.8400 0.1709 -0.0811 -0.1286 136 LYS C N 3911 C CA . LYS C 135 ? 0.9214 0.5693 0.7674 0.1515 -0.0835 -0.0971 136 LYS C CA 3912 C C . LYS C 135 ? 0.8501 0.5608 0.7051 0.1615 -0.0767 -0.0944 136 LYS C C 3913 O O . LYS C 135 ? 0.8258 0.5691 0.6923 0.1708 -0.0639 -0.1184 136 LYS C O 3914 C CB . LYS C 135 ? 0.9173 0.5646 0.7416 0.1182 -0.0803 -0.0974 136 LYS C CB 3915 C CG . LYS C 135 ? 0.9018 0.5836 0.7177 0.0977 -0.0789 -0.0698 136 LYS C CG 3916 C CD . LYS C 135 ? 0.9452 0.6016 0.7574 0.0930 -0.0847 -0.0357 136 LYS C CD 3917 C CE . LYS C 135 ? 0.8900 0.5880 0.6951 0.0770 -0.0769 -0.0149 136 LYS C CE 3918 N NZ . LYS C 135 ? 0.8627 0.5820 0.6746 0.0511 -0.0717 -0.0206 136 LYS C NZ 3919 N N . SER C 136 ? 0.8138 0.5388 0.6625 0.1583 -0.0842 -0.0657 137 SER C N 3920 C CA . SER C 136 ? 0.7582 0.5379 0.6149 0.1638 -0.0810 -0.0627 137 SER C CA 3921 C C . SER C 136 ? 0.7192 0.5160 0.5540 0.1451 -0.0812 -0.0387 137 SER C C 3922 O O . SER C 136 ? 0.7366 0.5050 0.5525 0.1293 -0.0825 -0.0213 137 SER C O 3923 C CB . SER C 136 ? 0.7725 0.5571 0.6567 0.1929 -0.0941 -0.0618 137 SER C CB 3924 O OG . SER C 136 ? 0.8342 0.5750 0.7045 0.1985 -0.1137 -0.0360 137 SER C OG 3925 N N . VAL C 137 ? 0.6666 0.5099 0.5076 0.1459 -0.0773 -0.0401 138 VAL C N 3926 C CA . VAL C 137 ? 0.6439 0.5039 0.4677 0.1340 -0.0773 -0.0221 138 VAL C CA 3927 C C . VAL C 137 ? 0.6375 0.5207 0.4690 0.1502 -0.0886 -0.0200 138 VAL C C 3928 O O . VAL C 137 ? 0.6298 0.5290 0.4909 0.1675 -0.0934 -0.0340 138 VAL C O 3929 C CB . VAL C 137 ? 0.6044 0.4963 0.4287 0.1142 -0.0638 -0.0270 138 VAL C CB 3930 C CG1 . VAL C 137 ? 0.6104 0.4826 0.4301 0.0970 -0.0592 -0.0295 138 VAL C CG1 3931 C CG2 . VAL C 137 ? 0.5573 0.4863 0.4004 0.1192 -0.0582 -0.0434 138 VAL C CG2 3932 N N . CYS C 138 ? 0.6438 0.5301 0.4507 0.1442 -0.0925 -0.0046 139 CYS C N 3933 C CA . CYS C 138 ? 0.6469 0.5563 0.4560 0.1555 -0.1063 -0.0052 139 CYS C CA 3934 C C . CYS C 138 ? 0.6049 0.5498 0.4146 0.1427 -0.0953 -0.0121 139 CYS C C 3935 O O . CYS C 138 ? 0.6001 0.5411 0.3890 0.1272 -0.0825 -0.0053 139 CYS C O 3936 C CB . CYS C 138 ? 0.7046 0.5820 0.4743 0.1610 -0.1240 0.0163 139 CYS C CB 3937 S SG . CYS C 138 ? 0.7898 0.6165 0.5625 0.1772 -0.1402 0.0280 139 CYS C SG 3938 N N . LEU C 139 ? 0.5781 0.5573 0.4184 0.1493 -0.0998 -0.0264 140 LEU C N 3939 C CA . LEU C 139 ? 0.5507 0.5590 0.3994 0.1377 -0.0906 -0.0345 140 LEU C CA 3940 C C . LEU C 139 ? 0.5628 0.5852 0.4084 0.1432 -0.1076 -0.0383 140 LEU C C 3941 O O . LEU C 139 ? 0.5735 0.6134 0.4490 0.1550 -0.1231 -0.0461 140 LEU C O 3942 C CB . LEU C 139 ? 0.5092 0.5430 0.3949 0.1343 -0.0788 -0.0476 140 LEU C CB 3943 C CG . LEU C 139 ? 0.4963 0.5555 0.3966 0.1226 -0.0717 -0.0535 140 LEU C CG 3944 C CD1 . LEU C 139 ? 0.4821 0.5330 0.3676 0.1080 -0.0592 -0.0472 140 LEU C CD1 3945 C CD2 . LEU C 139 ? 0.4708 0.5559 0.4076 0.1218 -0.0645 -0.0638 140 LEU C CD2 3946 N N . PHE C 140 ? 0.5714 0.5874 0.3833 0.1346 -0.1046 -0.0351 141 PHE C N 3947 C CA . PHE C 140 ? 0.5876 0.6130 0.3861 0.1368 -0.1204 -0.0428 141 PHE C CA 3948 C C . PHE C 140 ? 0.5548 0.6057 0.3848 0.1268 -0.1094 -0.0581 141 PHE C C 3949 O O . PHE C 140 ? 0.5498 0.5981 0.3768 0.1166 -0.0896 -0.0574 141 PHE C O 3950 C CB . PHE C 140 ? 0.6329 0.6323 0.3689 0.1320 -0.1176 -0.0330 141 PHE C CB 3951 C CG . PHE C 140 ? 0.6613 0.6642 0.3669 0.1327 -0.1336 -0.0441 141 PHE C CG 3952 C CD1 . PHE C 140 ? 0.6807 0.6994 0.4069 0.1422 -0.1643 -0.0541 141 PHE C CD1 3953 C CD2 . PHE C 140 ? 0.6801 0.6701 0.3353 0.1235 -0.1182 -0.0461 141 PHE C CD2 3954 C CE1 . PHE C 140 ? 0.7078 0.7261 0.4000 0.1413 -0.1841 -0.0664 141 PHE C CE1 3955 C CE2 . PHE C 140 ? 0.7256 0.7137 0.3413 0.1235 -0.1326 -0.0602 141 PHE C CE2 3956 C CZ . PHE C 140 ? 0.7250 0.7253 0.3565 0.1319 -0.1680 -0.0704 141 PHE C CZ 3957 N N . THR C 141 ? 0.5341 0.6090 0.4000 0.1293 -0.1232 -0.0710 142 THR C N 3958 C CA . THR C 141 ? 0.5030 0.5972 0.4047 0.1182 -0.1126 -0.0820 142 THR C CA 3959 C C . THR C 141 ? 0.5125 0.6236 0.4352 0.1164 -0.1313 -0.0983 142 THR C C 3960 O O . THR C 141 ? 0.5342 0.6501 0.4536 0.1253 -0.1563 -0.1021 142 THR C O 3961 C CB . THR C 141 ? 0.4710 0.5802 0.4129 0.1154 -0.0986 -0.0790 142 THR C CB 3962 O OG1 . THR C 141 ? 0.4480 0.5683 0.4160 0.1022 -0.0880 -0.0836 142 THR C OG1 3963 C CG2 . THR C 141 ? 0.4578 0.5876 0.4356 0.1257 -0.1105 -0.0841 142 THR C CG2 3964 N N . ASP C 142 ? 0.4958 0.6135 0.4426 0.1044 -0.1221 -0.1074 143 ASP C N 3965 C CA . ASP C 142 ? 0.5018 0.6340 0.4792 0.0979 -0.1381 -0.1249 143 ASP C CA 3966 C C . ASP C 142 ? 0.5454 0.6650 0.4826 0.1010 -0.1597 -0.1400 143 ASP C C 3967 O O . ASP C 142 ? 0.5605 0.6929 0.5189 0.0982 -0.1836 -0.1557 143 ASP C O 3968 C CB . ASP C 142 ? 0.4875 0.6515 0.5216 0.0983 -0.1478 -0.1270 143 ASP C CB 3969 C CG . ASP C 142 ? 0.4777 0.6528 0.5413 0.0936 -0.1221 -0.1152 143 ASP C CG 3970 O OD1 . ASP C 142 ? 0.4798 0.6387 0.5270 0.0863 -0.1022 -0.1060 143 ASP C OD1 3971 O OD2 . ASP C 142 ? 0.4996 0.7005 0.6029 0.0977 -0.1223 -0.1162 143 ASP C OD2 3972 N N . PHE C 143 ? 0.5673 0.6624 0.4455 0.1048 -0.1507 -0.1364 144 PHE C N 3973 C CA . PHE C 143 ? 0.6168 0.6959 0.4430 0.1055 -0.1645 -0.1523 144 PHE C CA 3974 C C . PHE C 143 ? 0.6344 0.7047 0.4677 0.0968 -0.1500 -0.1728 144 PHE C C 3975 O O . PHE C 143 ? 0.5860 0.6564 0.4512 0.0927 -0.1266 -0.1669 144 PHE C O 3976 C CB . PHE C 143 ? 0.6495 0.7056 0.4042 0.1122 -0.1577 -0.1380 144 PHE C CB 3977 C CG . PHE C 143 ? 0.6077 0.6561 0.3607 0.1100 -0.1234 -0.1224 144 PHE C CG 3978 C CD1 . PHE C 143 ? 0.6245 0.6642 0.3632 0.1047 -0.0976 -0.1321 144 PHE C CD1 3979 C CD2 . PHE C 143 ? 0.5588 0.6094 0.3292 0.1135 -0.1181 -0.1009 144 PHE C CD2 3980 C CE1 . PHE C 143 ? 0.5690 0.6070 0.3165 0.1022 -0.0697 -0.1184 144 PHE C CE1 3981 C CE2 . PHE C 143 ? 0.5401 0.5842 0.3114 0.1094 -0.0913 -0.0884 144 PHE C CE2 3982 C CZ . PHE C 143 ? 0.5409 0.5808 0.3034 0.1033 -0.0686 -0.0961 144 PHE C CZ 3983 N N . ASP C 144 ? 0.6967 0.7568 0.5007 0.0946 -0.1662 -0.1977 145 ASP C N 3984 C CA . ASP C 144 ? 0.7354 0.7817 0.5464 0.0886 -0.1520 -0.2217 145 ASP C CA 3985 C C . ASP C 144 ? 0.7695 0.7982 0.5322 0.0932 -0.1205 -0.2225 145 ASP C C 3986 O O . ASP C 144 ? 0.7796 0.8064 0.5027 0.0977 -0.1099 -0.2022 145 ASP C O 3987 C CB . ASP C 144 ? 0.7885 0.8285 0.5940 0.0826 -0.1801 -0.2543 145 ASP C CB 3988 C CG . ASP C 144 ? 0.8840 0.9074 0.6012 0.0870 -0.1955 -0.2681 145 ASP C CG 3989 O OD1 . ASP C 144 ? 0.9271 0.9456 0.5898 0.0941 -0.1897 -0.2471 145 ASP C OD1 3990 O OD2 . ASP C 144 ? 0.9971 1.0085 0.6948 0.0817 -0.2150 -0.3002 145 ASP C OD2 3991 N N . SER C 145 ? 0.8010 0.8172 0.5729 0.0918 -0.1044 -0.2465 146 SER C N 3992 C CA . SER C 145 ? 0.8218 0.8309 0.5757 0.0966 -0.0686 -0.2471 146 SER C CA 3993 C C . SER C 145 ? 0.9066 0.9003 0.5760 0.0985 -0.0575 -0.2659 146 SER C C 3994 O O . SER C 145 ? 0.9391 0.9299 0.5929 0.1013 -0.0229 -0.2716 146 SER C O 3995 C CB . SER C 145 ? 0.8030 0.8087 0.6224 0.0975 -0.0527 -0.2588 146 SER C CB 3996 O OG . SER C 145 ? 0.7202 0.7386 0.5996 0.0951 -0.0547 -0.2306 146 SER C OG 3997 N N . GLN C 146 ? 0.9584 0.9437 0.5723 0.0964 -0.0869 -0.2743 147 GLN C N 3998 C CA . GLN C 146 ? 1.0446 1.0118 0.5599 0.0964 -0.0792 -0.2841 147 GLN C CA 3999 C C . GLN C 146 ? 1.0484 1.0154 0.5174 0.0971 -0.0803 -0.2452 147 GLN C C 4000 O O . GLN C 146 ? 1.1273 1.0759 0.5059 0.0951 -0.0744 -0.2426 147 GLN C O 4001 C CB . GLN C 146 ? 1.1144 1.0658 0.5809 0.0931 -0.1138 -0.3162 147 GLN C CB 4002 N N . THR C 147 ? 0.9693 0.9526 0.4962 0.0992 -0.0866 -0.2151 148 THR C N 4003 C CA . THR C 147 ? 0.9703 0.9489 0.4653 0.1005 -0.0848 -0.1791 148 THR C CA 4004 C C . THR C 147 ? 0.9481 0.9298 0.4557 0.0972 -0.0406 -0.1649 148 THR C C 4005 O O . THR C 147 ? 0.8900 0.8884 0.4693 0.0974 -0.0248 -0.1671 148 THR C O 4006 C CB . THR C 147 ? 0.9166 0.9088 0.4628 0.1055 -0.1155 -0.1572 148 THR C CB 4007 O OG1 . THR C 147 ? 0.9497 0.9427 0.4837 0.1085 -0.1585 -0.1683 148 THR C OG1 4008 C CG2 . THR C 147 ? 0.9057 0.8872 0.4267 0.1079 -0.1113 -0.1223 148 THR C CG2 4009 N N . ASN C 148 ? 1.0075 0.9723 0.4449 0.0927 -0.0226 -0.1493 149 ASN C N 4010 C CA . ASN C 148 ? 0.9954 0.9647 0.4452 0.0864 0.0180 -0.1326 149 ASN C CA 4011 C C . ASN C 148 ? 0.9778 0.9380 0.4275 0.0850 0.0061 -0.0945 149 ASN C C 4012 O O . ASN C 148 ? 1.0252 0.9633 0.4193 0.0873 -0.0205 -0.0783 149 ASN C O 4013 C CB . ASN C 148 ? 1.0829 1.0385 0.4547 0.0783 0.0539 -0.1404 149 ASN C CB 4014 C CG . ASN C 148 ? 1.1215 1.0817 0.4869 0.0809 0.0698 -0.1837 149 ASN C CG 4015 O OD1 . ASN C 148 ? 1.0820 1.0614 0.5266 0.0866 0.0767 -0.2042 149 ASN C OD1 4016 N ND2 . ASN C 148 ? 1.2089 1.1472 0.4758 0.0768 0.0754 -0.1980 149 ASN C ND2 4017 N N . VAL C 149 ? 0.9170 0.8913 0.4293 0.0820 0.0225 -0.0812 150 VAL C N 4018 C CA . VAL C 149 ? 0.9120 0.8724 0.4224 0.0792 0.0159 -0.0489 150 VAL C CA 4019 C C . VAL C 149 ? 0.9608 0.9097 0.4365 0.0651 0.0523 -0.0325 150 VAL C C 4020 O O . VAL C 149 ? 0.9428 0.9127 0.4597 0.0578 0.0855 -0.0405 150 VAL C O 4021 C CB . VAL C 149 ? 0.8322 0.8099 0.4231 0.0819 0.0082 -0.0437 150 VAL C CB 4022 C CG1 . VAL C 149 ? 0.8309 0.7883 0.4153 0.0795 0.0008 -0.0153 150 VAL C CG1 4023 C CG2 . VAL C 149 ? 0.7925 0.7840 0.4193 0.0925 -0.0212 -0.0588 150 VAL C CG2 4024 N N . SER C 150 ? 1.0294 0.9448 0.4322 0.0608 0.0452 -0.0083 151 SER C N 4025 C CA . SER C 150 ? 1.0863 0.9857 0.4511 0.0435 0.0806 0.0126 151 SER C CA 4026 C C . SER C 150 ? 1.0545 0.9460 0.4664 0.0367 0.0801 0.0385 151 SER C C 4027 O O . SER C 150 ? 1.0201 0.9018 0.4570 0.0475 0.0461 0.0468 151 SER C O 4028 C CB . SER C 150 ? 1.1954 1.0549 0.4483 0.0394 0.0735 0.0299 151 SER C CB 4029 O OG . SER C 150 ? 1.2352 1.1011 0.4367 0.0413 0.0820 0.0018 151 SER C OG 4030 N N . GLN C 151 ? 1.0656 0.9639 0.4949 0.0184 0.1193 0.0476 152 GLN C N 4031 C CA . GLN C 151 ? 1.0594 0.9424 0.5200 0.0060 0.1221 0.0734 152 GLN C CA 4032 C C . GLN C 151 ? 1.1321 0.9601 0.5185 0.0041 0.1020 0.1067 152 GLN C C 4033 O O . GLN C 151 ? 1.2095 1.0146 0.5108 0.0042 0.1013 0.1144 152 GLN C O 4039 N N . SER C 152 ? 1.1169 0.9199 0.5316 0.0034 0.0831 0.1259 153 SER C N 4040 C CA . SER C 152 ? 1.1925 0.9371 0.5442 0.0040 0.0608 0.1597 153 SER C CA 4041 C C . SER C 152 ? 1.2831 0.9943 0.5738 -0.0226 0.0946 0.1911 153 SER C C 4042 O O . SER C 152 ? 1.2751 1.0108 0.5941 -0.0445 0.1380 0.1878 153 SER C O 4043 C CB . SER C 152 ? 1.1594 0.8816 0.5609 0.0130 0.0315 0.1677 153 SER C CB 4044 O OG . SER C 152 ? 1.2363 0.8994 0.5822 0.0188 0.0049 0.1990 153 SER C OG 4045 N N . LYS C 153 ? 1.3743 1.0295 0.5839 -0.0210 0.0736 0.2229 154 LYS C N 4046 C CA . LYS C 153 ? 1.4793 1.0907 0.6194 -0.0481 0.1024 0.2607 154 LYS C CA 4047 C C . LYS C 153 ? 1.4833 1.0596 0.6697 -0.0633 0.1034 0.2864 154 LYS C C 4048 O O . LYS C 153 ? 1.5477 1.1017 0.7134 -0.0938 0.1396 0.3127 154 LYS C O 4049 C CB . LYS C 153 ? 1.5897 1.1491 0.6133 -0.0406 0.0750 0.2879 154 LYS C CB 4050 N N . ASP C 154 ? 1.4185 0.9893 0.6678 -0.0433 0.0656 0.2768 155 ASP C N 4051 C CA . ASP C 154 ? 1.4152 0.9526 0.7160 -0.0549 0.0621 0.2917 155 ASP C CA 4052 C C . ASP C 154 ? 1.3174 0.9093 0.7131 -0.0682 0.0876 0.2626 155 ASP C C 4053 O O . ASP C 154 ? 1.2297 0.8728 0.6750 -0.0510 0.0789 0.2276 155 ASP C O 4054 C CB . ASP C 154 ? 1.4111 0.9123 0.7281 -0.0251 0.0100 0.2927 155 ASP C CB 4055 C CG . ASP C 154 ? 1.4494 0.8989 0.8045 -0.0356 0.0029 0.3098 155 ASP C CG 4056 O OD1 . ASP C 154 ? 1.5654 0.9444 0.8730 -0.0352 -0.0158 0.3463 155 ASP C OD1 4057 O OD2 . ASP C 154 ? 1.4000 0.8754 0.8308 -0.0440 0.0128 0.2865 155 ASP C OD2 4058 N N . SER C 155 ? 1.3388 0.9184 0.7597 -0.1003 0.1172 0.2792 156 SER C N 4059 C CA . SER C 155 ? 1.2562 0.8878 0.7683 -0.1167 0.1393 0.2551 156 SER C CA 4060 C C . SER C 155 ? 1.1843 0.8149 0.7650 -0.1037 0.1054 0.2339 156 SER C C 4061 O O . SER C 155 ? 1.1121 0.7930 0.7632 -0.1070 0.1101 0.2066 156 SER C O 4062 C CB . SER C 155 ? 1.3151 0.9361 0.8397 -0.1578 0.1806 0.2793 156 SER C CB 4063 O OG . SER C 155 ? 1.3807 0.9301 0.8944 -0.1706 0.1646 0.3094 156 SER C OG 4064 N N . ASP C 156 ? 1.2052 0.7781 0.7637 -0.0882 0.0708 0.2458 157 ASP C N 4065 C CA . ASP C 156 ? 1.1464 0.7138 0.7584 -0.0724 0.0400 0.2221 157 ASP C CA 4066 C C . ASP C 156 ? 1.0709 0.6715 0.6860 -0.0367 0.0152 0.1940 157 ASP C C 4067 O O . ASP C 156 ? 1.0347 0.6322 0.6847 -0.0207 -0.0076 0.1730 157 ASP C O 4068 C CB . ASP C 156 ? 1.2209 0.7089 0.8217 -0.0732 0.0185 0.2438 157 ASP C CB 4069 C CG . ASP C 156 ? 1.2847 0.7433 0.9118 -0.1125 0.0394 0.2619 157 ASP C CG 4070 O OD1 . ASP C 156 ? 1.3809 0.7660 0.9917 -0.1187 0.0267 0.2866 157 ASP C OD1 4071 O OD2 . ASP C 156 ? 1.2623 0.7703 0.9322 -0.1375 0.0673 0.2518 157 ASP C OD2 4072 N N . VAL C 157 ? 1.0464 0.6789 0.6252 -0.0265 0.0223 0.1921 158 VAL C N 4073 C CA . VAL C 157 ? 0.9689 0.6393 0.5559 0.0017 0.0034 0.1658 158 VAL C CA 4074 C C . VAL C 157 ? 0.8994 0.6349 0.5202 -0.0050 0.0259 0.1421 158 VAL C C 4075 O O . VAL C 157 ? 0.9173 0.6703 0.5260 -0.0228 0.0561 0.1487 158 VAL C O 4076 C CB . VAL C 157 ? 1.0173 0.6687 0.5400 0.0214 -0.0154 0.1791 158 VAL C CB 4077 C CG1 . VAL C 157 ? 0.9394 0.6336 0.4803 0.0472 -0.0344 0.1507 158 VAL C CG1 4078 C CG2 . VAL C 157 ? 1.0721 0.6567 0.5694 0.0312 -0.0425 0.2046 158 VAL C CG2 4079 N N . TYR C 158 ? 0.8199 0.5889 0.4846 0.0090 0.0123 0.1150 159 TYR C N 4080 C CA . TYR C 158 ? 0.7566 0.5812 0.4600 0.0058 0.0262 0.0935 159 TYR C CA 4081 C C . TYR C 158 ? 0.7242 0.5753 0.4178 0.0280 0.0138 0.0766 159 TYR C C 4082 O O . TYR C 158 ? 0.7115 0.5548 0.4054 0.0463 -0.0100 0.0696 159 TYR C O 4083 C CB . TYR C 158 ? 0.7037 0.5422 0.4652 -0.0016 0.0200 0.0791 159 TYR C CB 4084 C CG . TYR C 158 ? 0.7442 0.5551 0.5214 -0.0261 0.0288 0.0935 159 TYR C CG 4085 C CD1 . TYR C 158 ? 0.7316 0.5618 0.5289 -0.0500 0.0571 0.1024 159 TYR C CD1 4086 C CD2 . TYR C 158 ? 0.7674 0.5320 0.5429 -0.0258 0.0105 0.0972 159 TYR C CD2 4087 C CE1 . TYR C 158 ? 0.7646 0.5711 0.5827 -0.0760 0.0660 0.1164 159 TYR C CE1 4088 C CE2 . TYR C 158 ? 0.7966 0.5310 0.5887 -0.0507 0.0170 0.1099 159 TYR C CE2 4089 C CZ . TYR C 158 ? 0.7931 0.5496 0.6074 -0.0772 0.0443 0.1205 159 TYR C CZ 4090 O OH . TYR C 158 ? 0.8351 0.5634 0.6728 -0.1055 0.0516 0.1338 159 TYR C OH 4091 N N . ILE C 159 ? 0.7194 0.6013 0.4074 0.0257 0.0318 0.0689 160 ILE C N 4092 C CA . ILE C 159 ? 0.6927 0.5995 0.3772 0.0427 0.0213 0.0507 160 ILE C CA 4093 C C . ILE C 159 ? 0.6546 0.6030 0.3846 0.0374 0.0386 0.0333 160 ILE C C 4094 O O . ILE C 159 ? 0.6733 0.6335 0.4095 0.0240 0.0655 0.0354 160 ILE C O 4095 C CB . ILE C 159 ? 0.7466 0.6400 0.3663 0.0481 0.0215 0.0563 160 ILE C CB 4096 C CG1 . ILE C 159 ? 0.7975 0.6442 0.3704 0.0538 0.0004 0.0794 160 ILE C CG1 4097 C CG2 . ILE C 159 ? 0.7151 0.6346 0.3404 0.0632 0.0080 0.0337 160 ILE C CG2 4098 C CD1 . ILE C 159 ? 0.8554 0.6845 0.3568 0.0602 -0.0093 0.0872 160 ILE C CD1 4099 N N . THR C 160 ? 0.6108 0.5809 0.3757 0.0476 0.0239 0.0173 161 THR C N 4100 C CA . THR C 160 ? 0.5954 0.5997 0.4045 0.0457 0.0345 0.0029 161 THR C CA 4101 C C . THR C 160 ? 0.6116 0.6276 0.4017 0.0536 0.0425 -0.0108 161 THR C C 4102 O O . THR C 160 ? 0.6375 0.6382 0.3819 0.0617 0.0320 -0.0112 161 THR C O 4103 C CB . THR C 160 ? 0.5473 0.5645 0.3934 0.0517 0.0152 -0.0055 161 THR C CB 4104 O OG1 . THR C 160 ? 0.5509 0.5675 0.3804 0.0650 0.0009 -0.0137 161 THR C OG1 4105 C CG2 . THR C 160 ? 0.5443 0.5451 0.3975 0.0458 0.0038 0.0023 161 THR C CG2 4106 N N . ASP C 161 ? 0.5981 0.6403 0.4268 0.0522 0.0585 -0.0237 162 ASP C N 4107 C CA . ASP C 161 ? 0.6152 0.6673 0.4374 0.0613 0.0636 -0.0433 162 ASP C CA 4108 C C . ASP C 161 ? 0.5767 0.6293 0.4118 0.0717 0.0362 -0.0509 162 ASP C C 4109 O O . ASP C 161 ? 0.5455 0.5981 0.4035 0.0713 0.0200 -0.0427 162 ASP C O 4110 C CB . ASP C 161 ? 0.6165 0.6955 0.4906 0.0598 0.0866 -0.0565 162 ASP C CB 4111 C CG . ASP C 161 ? 0.6869 0.7693 0.5400 0.0666 0.1046 -0.0794 162 ASP C CG 4112 O OD1 . ASP C 161 ? 0.7587 0.8218 0.5492 0.0701 0.0975 -0.0844 162 ASP C OD1 4113 O OD2 . ASP C 161 ? 0.7240 0.8284 0.6256 0.0692 0.1246 -0.0945 162 ASP C OD2 4114 N N . LYS C 162 ? 0.5894 0.6412 0.4071 0.0791 0.0322 -0.0675 163 LYS C N 4115 C CA . LYS C 162 ? 0.5653 0.6192 0.4006 0.0855 0.0093 -0.0750 163 LYS C CA 4116 C C . LYS C 162 ? 0.5258 0.5934 0.4201 0.0854 0.0090 -0.0782 163 LYS C C 4117 O O . LYS C 162 ? 0.5267 0.6045 0.4499 0.0848 0.0252 -0.0832 163 LYS C O 4118 C CB . LYS C 162 ? 0.6036 0.6519 0.4090 0.0908 0.0025 -0.0942 163 LYS C CB 4119 C CG . LYS C 162 ? 0.6458 0.6969 0.4493 0.0918 0.0238 -0.1155 163 LYS C CG 4120 C CD . LYS C 162 ? 0.7086 0.7500 0.4799 0.0958 0.0113 -0.1384 163 LYS C CD 4121 C CE . LYS C 162 ? 0.7759 0.8128 0.5147 0.0964 0.0370 -0.1606 163 LYS C CE 4122 N NZ . LYS C 162 ? 0.8644 0.8889 0.5713 0.0993 0.0230 -0.1890 163 LYS C NZ 4123 N N A CYS C 163 ? 0.4947 0.5627 0.4070 0.0860 -0.0090 -0.0746 164 CYS C N 4124 N N B CYS C 163 ? 0.4949 0.5632 0.4089 0.0857 -0.0087 -0.0736 164 CYS C N 4125 C CA A CYS C 163 ? 0.4671 0.5408 0.4248 0.0847 -0.0145 -0.0723 164 CYS C CA 4126 C CA B CYS C 163 ? 0.4707 0.5449 0.4314 0.0852 -0.0132 -0.0740 164 CYS C CA 4127 C C A CYS C 163 ? 0.4586 0.5286 0.4219 0.0855 -0.0274 -0.0800 164 CYS C C 4128 C C B CYS C 163 ? 0.4549 0.5255 0.4235 0.0843 -0.0283 -0.0756 164 CYS C C 4129 O O A CYS C 163 ? 0.4619 0.5312 0.4023 0.0859 -0.0354 -0.0815 164 CYS C O 4130 O O B CYS C 163 ? 0.4463 0.5173 0.3994 0.0824 -0.0364 -0.0695 164 CYS C O 4131 C CB A CYS C 163 ? 0.4502 0.5246 0.4137 0.0788 -0.0218 -0.0542 164 CYS C CB 4132 C CB B CYS C 163 ? 0.4574 0.5368 0.4420 0.0801 -0.0153 -0.0579 164 CYS C CB 4133 S SG A CYS C 163 ? 0.4420 0.5237 0.4522 0.0755 -0.0262 -0.0447 164 CYS C SG 4134 S SG B CYS C 163 ? 0.4538 0.5271 0.4222 0.0736 -0.0301 -0.0418 164 CYS C SG 4135 N N . VAL C 164 ? 0.4483 0.5155 0.4470 0.0856 -0.0306 -0.0845 165 VAL C N 4136 C CA . VAL C 164 ? 0.4362 0.4982 0.4478 0.0812 -0.0424 -0.0865 165 VAL C CA 4137 C C . VAL C 164 ? 0.4208 0.4795 0.4528 0.0738 -0.0493 -0.0662 165 VAL C C 4138 O O . VAL C 164 ? 0.4105 0.4641 0.4649 0.0749 -0.0513 -0.0573 165 VAL C O 4139 C CB . VAL C 164 ? 0.4575 0.5094 0.4856 0.0842 -0.0434 -0.1088 165 VAL C CB 4140 C CG1 . VAL C 164 ? 0.4800 0.5254 0.5425 0.0910 -0.0357 -0.1136 165 VAL C CG1 4141 C CG2 . VAL C 164 ? 0.4381 0.4840 0.4862 0.0754 -0.0560 -0.1089 165 VAL C CG2 4142 N N . LEU C 165 ? 0.4121 0.4746 0.4351 0.0664 -0.0530 -0.0586 166 LEU C N 4143 C CA . LEU C 165 ? 0.4122 0.4689 0.4424 0.0564 -0.0563 -0.0394 166 LEU C CA 4144 C C . LEU C 165 ? 0.4256 0.4751 0.4792 0.0470 -0.0593 -0.0401 166 LEU C C 4145 O O . LEU C 165 ? 0.4301 0.4857 0.4936 0.0469 -0.0604 -0.0570 166 LEU C O 4146 C CB . LEU C 165 ? 0.4017 0.4675 0.4048 0.0525 -0.0519 -0.0307 166 LEU C CB 4147 C CG . LEU C 165 ? 0.4004 0.4815 0.3999 0.0535 -0.0479 -0.0415 166 LEU C CG 4148 C CD1 . LEU C 165 ? 0.4019 0.4894 0.4219 0.0414 -0.0443 -0.0388 166 LEU C CD1 4149 C CD2 . LEU C 165 ? 0.4044 0.4906 0.3784 0.0578 -0.0432 -0.0395 166 LEU C CD2 4150 N N . ASP C 166 ? 0.4410 0.4756 0.5018 0.0374 -0.0626 -0.0202 167 ASP C N 4151 C CA . ASP C 166 ? 0.4542 0.4742 0.5400 0.0255 -0.0651 -0.0155 167 ASP C CA 4152 C C . ASP C 166 ? 0.4746 0.4934 0.5431 0.0085 -0.0581 0.0075 167 ASP C C 4153 O O . ASP C 166 ? 0.4793 0.4822 0.5275 0.0042 -0.0628 0.0302 167 ASP C O 4154 C CB . ASP C 166 ? 0.4736 0.4661 0.5867 0.0306 -0.0764 -0.0112 167 ASP C CB 4155 C CG . ASP C 166 ? 0.4908 0.4592 0.6338 0.0181 -0.0808 -0.0072 167 ASP C CG 4156 O OD1 . ASP C 166 ? 0.4884 0.4650 0.6329 0.0025 -0.0737 -0.0061 167 ASP C OD1 4157 O OD2 . ASP C 166 ? 0.5317 0.4726 0.7031 0.0239 -0.0913 -0.0056 167 ASP C OD2 4158 N N . MET C 167 ? 0.4785 0.5160 0.5548 -0.0014 -0.0469 0.0006 168 MET C N 4159 C CA . MET C 167 ? 0.5087 0.5490 0.5733 -0.0201 -0.0324 0.0190 168 MET C CA 4160 C C . MET C 167 ? 0.5544 0.5678 0.6443 -0.0369 -0.0359 0.0342 168 MET C C 4161 O O . MET C 167 ? 0.5673 0.5877 0.6958 -0.0471 -0.0327 0.0236 168 MET C O 4162 C CB . MET C 167 ? 0.4821 0.5587 0.5593 -0.0224 -0.0172 0.0031 168 MET C CB 4163 C CG . MET C 167 ? 0.4410 0.5362 0.4995 -0.0027 -0.0190 -0.0130 168 MET C CG 4164 S SD . MET C 167 ? 0.4166 0.5527 0.4951 0.0003 -0.0051 -0.0303 168 MET C SD 4165 C CE . MET C 167 ? 0.4066 0.5470 0.4632 -0.0180 0.0239 -0.0132 168 MET C CE 4166 N N . ARG C 168 ? 0.5954 0.5757 0.6663 -0.0395 -0.0460 0.0594 169 ARG C N 4167 C CA . ARG C 168 ? 0.6556 0.5984 0.7522 -0.0503 -0.0563 0.0759 169 ARG C CA 4168 C C . ARG C 168 ? 0.6888 0.6278 0.8001 -0.0782 -0.0401 0.0888 169 ARG C C 4169 O O . ARG C 168 ? 0.6998 0.6227 0.8560 -0.0861 -0.0456 0.0825 169 ARG C O 4170 C CB . ARG C 168 ? 0.7001 0.6081 0.7711 -0.0467 -0.0742 0.1052 169 ARG C CB 4171 C CG . ARG C 168 ? 0.7243 0.6222 0.8258 -0.0228 -0.0946 0.0916 169 ARG C CG 4172 C CD . ARG C 168 ? 0.8197 0.7079 0.8983 -0.0119 -0.1129 0.1101 169 ARG C CD 4173 N NE . ARG C 168 ? 0.8698 0.7659 0.9874 0.0122 -0.1230 0.0871 169 ARG C NE 4174 C CZ . ARG C 168 ? 0.9030 0.8103 1.0185 0.0264 -0.1347 0.0880 169 ARG C CZ 4175 N NH1 . ARG C 168 ? 0.9290 0.8373 1.0007 0.0196 -0.1435 0.1099 169 ARG C NH1 4176 N NH2 . ARG C 168 ? 0.8946 0.8129 1.0528 0.0463 -0.1365 0.0647 169 ARG C NH2 4177 N N . SER C 169 ? 0.7150 0.6696 0.7904 -0.0938 -0.0183 0.1041 170 SER C N 4178 C CA . SER C 169 ? 0.7656 0.7202 0.8516 -0.1243 0.0045 0.1206 170 SER C CA 4179 C C . SER C 169 ? 0.7373 0.7309 0.8844 -0.1300 0.0160 0.0914 170 SER C C 4180 O O . SER C 169 ? 0.7628 0.7536 0.9461 -0.1556 0.0281 0.0997 170 SER C O 4181 C CB . SER C 169 ? 0.7993 0.7640 0.8247 -0.1381 0.0302 0.1402 170 SER C CB 4182 O OG . SER C 169 ? 0.7568 0.7703 0.7810 -0.1264 0.0475 0.1122 170 SER C OG 4183 N N . MET C 170 ? 0.6894 0.7179 0.8481 -0.1072 0.0100 0.0591 171 MET C N 4184 C CA . MET C 170 ? 0.6749 0.7418 0.8900 -0.1079 0.0115 0.0295 171 MET C CA 4185 C C . MET C 170 ? 0.6540 0.7040 0.9045 -0.0983 -0.0159 0.0074 171 MET C C 4186 O O . MET C 170 ? 0.6387 0.7156 0.9318 -0.0986 -0.0228 -0.0186 171 MET C O 4187 C CB . MET C 170 ? 0.6417 0.7534 0.8473 -0.0886 0.0181 0.0081 171 MET C CB 4188 C CG . MET C 170 ? 0.6979 0.8294 0.8705 -0.0952 0.0483 0.0205 171 MET C CG 4189 S SD . MET C 170 ? 0.7337 0.9193 0.9217 -0.0738 0.0573 -0.0090 171 MET C SD 4190 C CE . MET C 170 ? 0.7273 0.9595 1.0025 -0.0945 0.0734 -0.0209 171 MET C CE 4191 N N . ASP C 171 ? 0.6626 0.6687 0.8963 -0.0893 -0.0324 0.0160 172 ASP C N 4192 C CA . ASP C 171 ? 0.6545 0.6411 0.9126 -0.0758 -0.0549 -0.0094 172 ASP C CA 4193 C C . ASP C 171 ? 0.6044 0.6267 0.8608 -0.0567 -0.0623 -0.0437 172 ASP C C 4194 O O . ASP C 171 ? 0.6077 0.6394 0.8966 -0.0598 -0.0737 -0.0699 172 ASP C O 4195 C CB . ASP C 171 ? 0.6970 0.6583 1.0068 -0.0977 -0.0613 -0.0124 172 ASP C CB 4196 C CG . ASP C 171 ? 0.7279 0.6578 1.0570 -0.0837 -0.0832 -0.0397 172 ASP C CG 4197 O OD1 . ASP C 171 ? 0.7385 0.6508 1.0429 -0.0606 -0.0900 -0.0416 172 ASP C OD1 4198 O OD2 . ASP C 171 ? 0.7459 0.6698 1.1176 -0.0964 -0.0927 -0.0616 172 ASP C OD2 4199 N N . PHE C 172 ? 0.5598 0.5984 0.7751 -0.0385 -0.0581 -0.0421 173 PHE C N 4200 C CA . PHE C 172 ? 0.5156 0.5859 0.7207 -0.0224 -0.0630 -0.0655 173 PHE C CA 4201 C C . PHE C 172 ? 0.4938 0.5565 0.6561 -0.0004 -0.0654 -0.0664 173 PHE C C 4202 O O . PHE C 172 ? 0.4898 0.5445 0.6267 0.0015 -0.0579 -0.0457 173 PHE C O 4203 C CB . PHE C 172 ? 0.5027 0.6119 0.7148 -0.0285 -0.0489 -0.0613 173 PHE C CB 4204 C CG . PHE C 172 ? 0.4799 0.6163 0.6762 -0.0088 -0.0551 -0.0778 173 PHE C CG 4205 C CD1 . PHE C 172 ? 0.4793 0.6411 0.7064 -0.0063 -0.0703 -0.1001 173 PHE C CD1 4206 C CD2 . PHE C 172 ? 0.4464 0.5801 0.5981 0.0064 -0.0493 -0.0698 173 PHE C CD2 4207 C CE1 . PHE C 172 ? 0.4673 0.6482 0.6770 0.0129 -0.0804 -0.1110 173 PHE C CE1 4208 C CE2 . PHE C 172 ? 0.4340 0.5849 0.5704 0.0238 -0.0560 -0.0816 173 PHE C CE2 4209 C CZ . PHE C 172 ? 0.4533 0.6262 0.6167 0.0280 -0.0720 -0.1005 173 PHE C CZ 4210 N N . LYS C 173 ? 0.4807 0.5459 0.6340 0.0138 -0.0763 -0.0904 174 LYS C N 4211 C CA . LYS C 173 ? 0.4679 0.5287 0.5851 0.0319 -0.0751 -0.0933 174 LYS C CA 4212 C C . LYS C 173 ? 0.4618 0.5443 0.5538 0.0427 -0.0795 -0.1062 174 LYS C C 4213 O O . LYS C 173 ? 0.4598 0.5549 0.5636 0.0407 -0.0913 -0.1223 174 LYS C O 4214 C CB . LYS C 173 ? 0.4841 0.5197 0.6066 0.0393 -0.0795 -0.1084 174 LYS C CB 4215 C CG . LYS C 173 ? 0.4943 0.5023 0.6456 0.0325 -0.0797 -0.0933 174 LYS C CG 4216 C CD . LYS C 173 ? 0.5376 0.5236 0.6993 0.0462 -0.0810 -0.1085 174 LYS C CD 4217 C CE . LYS C 173 ? 0.5442 0.4978 0.7416 0.0423 -0.0867 -0.0917 174 LYS C CE 4218 N NZ . LYS C 173 ? 0.5706 0.5031 0.7987 0.0261 -0.0943 -0.0970 174 LYS C NZ 4219 N N . SER C 174 ? 0.4549 0.5397 0.5139 0.0534 -0.0728 -0.0976 175 SER C N 4220 C CA . SER C 174 ? 0.4533 0.5495 0.4838 0.0642 -0.0780 -0.1050 175 SER C CA 4221 C C . SER C 174 ? 0.4592 0.5452 0.4533 0.0741 -0.0701 -0.1001 175 SER C C 4222 O O . SER C 174 ? 0.4496 0.5305 0.4436 0.0730 -0.0605 -0.0860 175 SER C O 4223 C CB . SER C 174 ? 0.4390 0.5566 0.4792 0.0636 -0.0779 -0.0974 175 SER C CB 4224 O OG . SER C 174 ? 0.4311 0.5473 0.4659 0.0604 -0.0635 -0.0797 175 SER C OG 4225 N N . ASN C 175 ? 0.4876 0.5708 0.4503 0.0819 -0.0755 -0.1117 176 ASN C N 4226 C CA . ASN C 175 ? 0.4944 0.5692 0.4201 0.0883 -0.0654 -0.1063 176 ASN C CA 4227 C C . ASN C 175 ? 0.4860 0.5643 0.3955 0.0922 -0.0677 -0.0911 176 ASN C C 4228 O O . ASN C 175 ? 0.4836 0.5718 0.4018 0.0947 -0.0804 -0.0919 176 ASN C O 4229 C CB . ASN C 175 ? 0.5279 0.5938 0.4152 0.0928 -0.0689 -0.1233 176 ASN C CB 4230 C CG . ASN C 175 ? 0.5531 0.6104 0.4508 0.0917 -0.0599 -0.1427 176 ASN C CG 4231 O OD1 . ASN C 175 ? 0.5655 0.6214 0.4909 0.0913 -0.0458 -0.1383 176 ASN C OD1 4232 N ND2 . ASN C 175 ? 0.5653 0.6155 0.4420 0.0923 -0.0701 -0.1660 176 ASN C ND2 4233 N N . SER C 176 ? 0.4794 0.5496 0.3714 0.0928 -0.0560 -0.0792 177 SER C N 4234 C CA . SER C 176 ? 0.4849 0.5491 0.3556 0.0973 -0.0592 -0.0674 177 SER C CA 4235 C C . SER C 176 ? 0.4976 0.5480 0.3419 0.0951 -0.0460 -0.0578 177 SER C C 4236 O O . SER C 176 ? 0.4984 0.5514 0.3538 0.0899 -0.0322 -0.0593 177 SER C O 4237 C CB . SER C 176 ? 0.4624 0.5334 0.3574 0.0954 -0.0585 -0.0602 177 SER C CB 4238 O OG . SER C 176 ? 0.4593 0.5283 0.3650 0.0876 -0.0481 -0.0536 177 SER C OG 4239 N N . ALA C 177 ? 0.5105 0.5461 0.3257 0.0990 -0.0506 -0.0475 178 ALA C N 4240 C CA . ALA C 177 ? 0.5198 0.5394 0.3138 0.0933 -0.0373 -0.0345 178 ALA C CA 4241 C C . ALA C 177 ? 0.5170 0.5209 0.3080 0.0970 -0.0462 -0.0233 178 ALA C C 4242 O O . ALA C 177 ? 0.5192 0.5242 0.3153 0.1073 -0.0621 -0.0262 178 ALA C O 4243 C CB . ALA C 177 ? 0.5694 0.5758 0.3154 0.0927 -0.0314 -0.0327 178 ALA C CB 4244 N N . VAL C 178 ? 0.5126 0.5027 0.3022 0.0886 -0.0363 -0.0126 179 VAL C N 4245 C CA . VAL C 178 ? 0.5088 0.4793 0.3000 0.0913 -0.0437 -0.0060 179 VAL C CA 4246 C C . VAL C 178 ? 0.5554 0.4942 0.3154 0.0856 -0.0393 0.0110 179 VAL C C 4247 O O . VAL C 178 ? 0.5674 0.5070 0.3196 0.0727 -0.0224 0.0174 179 VAL C O 4248 C CB . VAL C 178 ? 0.4858 0.4639 0.3063 0.0828 -0.0393 -0.0108 179 VAL C CB 4249 C CG1 . VAL C 178 ? 0.4902 0.4437 0.3085 0.0853 -0.0456 -0.0098 179 VAL C CG1 4250 C CG2 . VAL C 178 ? 0.4268 0.4320 0.2713 0.0846 -0.0412 -0.0224 179 VAL C CG2 4251 N N . ALA C 179 ? 0.5781 0.4890 0.3238 0.0953 -0.0533 0.0191 180 ALA C N 4252 C CA . ALA C 179 ? 0.6326 0.5042 0.3492 0.0885 -0.0511 0.0392 180 ALA C CA 4253 C C . ALA C 179 ? 0.6455 0.4891 0.3790 0.0932 -0.0607 0.0395 180 ALA C C 4254 O O . ALA C 179 ? 0.6302 0.4817 0.3856 0.1089 -0.0726 0.0255 180 ALA C O 4255 C CB . ALA C 179 ? 0.6819 0.5336 0.3508 0.0968 -0.0627 0.0535 180 ALA C CB 4256 N N . TRP C 180 ? 0.6784 0.4905 0.4055 0.0783 -0.0530 0.0528 181 TRP C N 4257 C CA . TRP C 180 ? 0.7060 0.4807 0.4451 0.0807 -0.0622 0.0522 181 TRP C CA 4258 C C . TRP C 180 ? 0.7766 0.5066 0.4942 0.0637 -0.0562 0.0770 181 TRP C C 4259 O O . TRP C 180 ? 0.7921 0.5293 0.4910 0.0469 -0.0392 0.0916 181 TRP C O 4260 C CB . TRP C 180 ? 0.6605 0.4526 0.4335 0.0737 -0.0582 0.0302 181 TRP C CB 4261 C CG . TRP C 180 ? 0.6318 0.4379 0.4181 0.0484 -0.0443 0.0328 181 TRP C CG 4262 C CD1 . TRP C 180 ? 0.6404 0.4200 0.4370 0.0286 -0.0415 0.0382 181 TRP C CD1 4263 C CD2 . TRP C 180 ? 0.5755 0.4264 0.3752 0.0406 -0.0331 0.0290 181 TRP C CD2 4264 N NE1 . TRP C 180 ? 0.6018 0.4135 0.4221 0.0090 -0.0297 0.0382 181 TRP C NE1 4265 C CE2 . TRP C 180 ? 0.5806 0.4352 0.4036 0.0177 -0.0243 0.0325 181 TRP C CE2 4266 C CE3 . TRP C 180 ? 0.5530 0.4402 0.3531 0.0506 -0.0308 0.0220 181 TRP C CE3 4267 C CZ2 . TRP C 180 ? 0.5395 0.4352 0.3895 0.0081 -0.0136 0.0294 181 TRP C CZ2 4268 C CZ3 . TRP C 180 ? 0.5055 0.4265 0.3268 0.0407 -0.0196 0.0188 181 TRP C CZ3 4269 C CH2 . TRP C 180 ? 0.5095 0.4358 0.3572 0.0212 -0.0113 0.0225 181 TRP C CH2 4270 N N . SER C 181 ? 0.8367 0.5188 0.5581 0.0675 -0.0678 0.0810 182 SER C N 4271 C CA . SER C 181 ? 0.9217 0.5519 0.6244 0.0497 -0.0637 0.1074 182 SER C CA 4272 C C . SER C 181 ? 0.9710 0.5517 0.6939 0.0554 -0.0782 0.0999 182 SER C C 4273 O O . SER C 181 ? 0.9726 0.5465 0.7071 0.0824 -0.0951 0.0847 182 SER C O 4274 C CB . SER C 181 ? 0.9772 0.5800 0.6287 0.0564 -0.0701 0.1378 182 SER C CB 4275 O OG . SER C 181 ? 1.0527 0.5982 0.6798 0.0375 -0.0652 0.1685 182 SER C OG 4276 N N . ASN C 182 ? 1.0218 0.5689 0.7542 0.0298 -0.0707 0.1082 183 ASN C N 4277 C CA . ASN C 182 ? 1.0788 0.5698 0.8294 0.0329 -0.0847 0.0987 183 ASN C CA 4278 C C . ASN C 182 ? 1.1659 0.5884 0.8927 0.0464 -0.1008 0.1264 183 ASN C C 4279 O O . ASN C 182 ? 1.2162 0.5882 0.9603 0.0581 -0.1159 0.1166 183 ASN C O 4280 C CB . ASN C 182 ? 1.0887 0.5673 0.8644 -0.0012 -0.0753 0.0939 183 ASN C CB 4281 N N . LYS C 183 ? 1.2012 0.6197 0.8859 0.0459 -0.0991 0.1599 184 LYS C N 4282 C CA . LYS C 183 ? 1.2957 0.6441 0.9464 0.0552 -0.1173 0.1955 184 LYS C CA 4283 C C . LYS C 183 ? 1.3105 0.6427 0.9758 0.0976 -0.1485 0.1837 184 LYS C C 4284 O O . LYS C 183 ? 1.2550 0.6431 0.9371 0.1198 -0.1531 0.1587 184 LYS C O 4285 C CB . LYS C 183 ? 1.3301 0.6826 0.9194 0.0436 -0.1079 0.2325 184 LYS C CB 4286 N N . ASP C 185 ? 1.3822 0.6701 1.0662 0.2125 -0.2490 0.1992 186 ASP C N 4287 C CA . ASP C 185 ? 1.4365 0.7027 1.0439 0.1899 -0.2489 0.2443 186 ASP C CA 4288 C C . ASP C 185 ? 1.3728 0.7156 0.9523 0.1802 -0.2340 0.2354 186 ASP C C 4289 O O . ASP C 185 ? 1.4211 0.7573 0.9350 0.1729 -0.2412 0.2655 186 ASP C O 4290 C CB . ASP C 185 ? 1.4797 0.6971 1.0616 0.1505 -0.2230 0.2659 186 ASP C CB 4291 N N . PHE C 186 ? 1.2697 0.6799 0.8954 0.1799 -0.2136 0.1938 187 PHE C N 4292 C CA . PHE C 186 ? 1.1947 0.6775 0.8089 0.1725 -0.1990 0.1786 187 PHE C CA 4293 C C . PHE C 186 ? 1.1241 0.6642 0.7953 0.2001 -0.2099 0.1423 187 PHE C C 4294 O O . PHE C 186 ? 1.0907 0.6402 0.8164 0.2099 -0.2032 0.1138 187 PHE C O 4295 C CB . PHE C 186 ? 1.1445 0.6543 0.7583 0.1384 -0.1594 0.1682 187 PHE C CB 4296 C CG . PHE C 186 ? 1.0441 0.6288 0.6714 0.1351 -0.1435 0.1419 187 PHE C CG 4297 C CD1 . PHE C 186 ? 1.0322 0.6411 0.6144 0.1223 -0.1328 0.1526 187 PHE C CD1 4298 C CD2 . PHE C 186 ? 0.9619 0.5885 0.6434 0.1433 -0.1372 0.1062 187 PHE C CD2 4299 C CE1 . PHE C 186 ? 0.9427 0.6144 0.5418 0.1197 -0.1191 0.1276 187 PHE C CE1 4300 C CE2 . PHE C 186 ? 0.8797 0.5682 0.5731 0.1388 -0.1238 0.0861 187 PHE C CE2 4301 C CZ . PHE C 186 ? 0.8745 0.5842 0.5304 0.1276 -0.1159 0.0966 187 PHE C CZ 4302 N N . ALA C 187 ? 1.1055 0.6830 0.7618 0.2101 -0.2251 0.1427 188 ALA C N 4303 C CA . ALA C 187 ? 1.0452 0.6798 0.7577 0.2328 -0.2358 0.1119 188 ALA C CA 4304 C C . ALA C 187 ? 0.9980 0.6884 0.6917 0.2214 -0.2279 0.1024 188 ALA C C 4305 O O . ALA C 187 ? 1.0211 0.7008 0.6513 0.2045 -0.2245 0.1220 188 ALA C O 4306 C CB . ALA C 187 ? 1.0960 0.7123 0.8330 0.2670 -0.2785 0.1201 188 ALA C CB 4307 N N . CYS C 188 ? 0.9332 0.6808 0.6821 0.2303 -0.2233 0.0714 189 CYS C N 4308 C CA . CYS C 188 ? 0.8944 0.6932 0.6369 0.2190 -0.2148 0.0582 189 CYS C CA 4309 C C . CYS C 188 ? 0.9410 0.7403 0.6429 0.2249 -0.2458 0.0714 189 CYS C C 4310 O O . CYS C 188 ? 0.9370 0.7541 0.6008 0.2087 -0.2361 0.0691 189 CYS C O 4311 C CB . CYS C 188 ? 0.8269 0.6807 0.6389 0.2259 -0.2042 0.0257 189 CYS C CB 4312 S SG . CYS C 188 ? 0.7883 0.6456 0.6260 0.2122 -0.1657 0.0075 189 CYS C SG 4313 N N . ALA C 189 ? 0.9905 0.7686 0.7005 0.2488 -0.2846 0.0839 190 ALA C N 4314 C CA . ALA C 189 ? 1.0545 0.8247 0.7174 0.2555 -0.3231 0.0997 190 ALA C CA 4315 C C . ALA C 189 ? 1.1095 0.8454 0.6713 0.2316 -0.3113 0.1232 190 ALA C C 4316 O O . ALA C 189 ? 1.1324 0.8831 0.6484 0.2251 -0.3229 0.1203 190 ALA C O 4317 C CB . ALA C 189 ? 1.1183 0.8531 0.7974 0.2851 -0.3696 0.1191 190 ALA C CB 4318 N N . ASN C 190 ? 1.1372 0.8269 0.6653 0.2175 -0.2874 0.1447 191 ASN C N 4319 C CA . ASN C 190 ? 1.2019 0.8565 0.6365 0.1937 -0.2712 0.1703 191 ASN C CA 4320 C C . ASN C 190 ? 1.1471 0.8244 0.5799 0.1659 -0.2191 0.1573 191 ASN C C 4321 O O . ASN C 190 ? 1.1936 0.8524 0.5587 0.1443 -0.1965 0.1731 191 ASN C O 4322 C CB . ASN C 190 ? 1.3013 0.8807 0.6873 0.1946 -0.2861 0.2125 191 ASN C CB 4323 C CG . ASN C 190 ? 1.2914 0.8444 0.7276 0.1918 -0.2660 0.2148 191 ASN C CG 4324 O OD1 . ASN C 190 ? 1.2375 0.8126 0.6995 0.1724 -0.2261 0.1983 191 ASN C OD1 4325 N ND2 . ASN C 190 ? 1.3489 0.8510 0.7989 0.2115 -0.2967 0.2349 191 ASN C ND2 4326 N N . ALA C 191 ? 1.0510 0.7694 0.5585 0.1666 -0.2005 0.1286 192 ALA C N 4327 C CA . ALA C 191 ? 0.9989 0.7386 0.5185 0.1436 -0.1578 0.1170 192 ALA C CA 4328 C C . ALA C 191 ? 1.0006 0.7638 0.4770 0.1283 -0.1388 0.1099 192 ALA C C 4329 O O . ALA C 191 ? 1.0139 0.7728 0.4689 0.1070 -0.1054 0.1162 192 ALA C O 4330 C CB . ALA C 191 ? 0.9072 0.6875 0.5060 0.1490 -0.1484 0.0876 192 ALA C CB 4331 N N . PHE C 192 ? 0.9970 0.7857 0.4655 0.1388 -0.1595 0.0946 193 PHE C N 4332 C CA . PHE C 192 ? 1.0040 0.8145 0.4357 0.1263 -0.1418 0.0802 193 PHE C CA 4333 C C . PHE C 192 ? 1.1043 0.8847 0.4406 0.1243 -0.1576 0.0956 193 PHE C C 4334 O O . PHE C 192 ? 1.1184 0.9152 0.4192 0.1186 -0.1515 0.0777 193 PHE C O 4335 C CB . PHE C 192 ? 0.9290 0.7892 0.4189 0.1331 -0.1469 0.0467 193 PHE C CB 4336 C CG . PHE C 192 ? 0.8566 0.7435 0.4196 0.1292 -0.1244 0.0335 193 PHE C CG 4337 C CD1 . PHE C 192 ? 0.8216 0.7167 0.4420 0.1419 -0.1379 0.0298 193 PHE C CD1 4338 C CD2 . PHE C 192 ? 0.8351 0.7383 0.4081 0.1135 -0.0899 0.0244 193 PHE C CD2 4339 C CE1 . PHE C 192 ? 0.7539 0.6694 0.4273 0.1366 -0.1179 0.0183 193 PHE C CE1 4340 C CE2 . PHE C 192 ? 0.7653 0.6898 0.3989 0.1097 -0.0752 0.0150 193 PHE C CE2 4341 C CZ . PHE C 192 ? 0.7429 0.6716 0.4198 0.1200 -0.0893 0.0126 193 PHE C CZ 4342 N N . ASN C 193 ? 1.1823 0.9139 0.4733 0.1282 -0.1775 0.1289 194 ASN C N 4343 C CA . ASN C 193 ? 1.3008 0.9930 0.4877 0.1254 -0.1964 0.1519 194 ASN C CA 4344 C C . ASN C 193 ? 1.3560 1.0437 0.4643 0.1014 -0.1557 0.1510 194 ASN C C 4345 O O . ASN C 193 ? 1.4383 1.1087 0.4577 0.0992 -0.1699 0.1543 194 ASN C O 4346 C CB . ASN C 193 ? 1.3762 1.0082 0.5318 0.1301 -0.2175 0.1943 194 ASN C CB 4347 C CG . ASN C 193 ? 1.3768 1.0054 0.5816 0.1601 -0.2720 0.1965 194 ASN C CG 4348 O OD1 . ASN C 193 ? 1.3105 0.9877 0.5862 0.1750 -0.2876 0.1652 194 ASN C OD1 4349 N ND2 . ASN C 193 ? 1.4486 1.0193 0.6210 0.1690 -0.3006 0.2340 194 ASN C ND2 4350 N N . ASN C 194 ? 1.3169 1.0209 0.4583 0.0837 -0.1054 0.1451 195 ASN C N 4351 C CA . ASN C 194 ? 1.3656 1.0738 0.4502 0.0618 -0.0589 0.1401 195 ASN C CA 4352 C C . ASN C 194 ? 1.3219 1.0761 0.4232 0.0647 -0.0483 0.0964 195 ASN C C 4353 O O . ASN C 194 ? 1.3696 1.1276 0.4173 0.0514 -0.0144 0.0848 195 ASN C O 4354 C CB . ASN C 194 ? 1.3411 1.0515 0.4641 0.0412 -0.0105 0.1516 195 ASN C CB 4355 C CG . ASN C 194 ? 1.4485 1.1355 0.4869 0.0157 0.0327 0.1708 195 ASN C CG 4356 O OD1 . ASN C 194 ? 1.5639 1.2056 0.5002 0.0118 0.0196 0.1972 195 ASN C OD1 4357 N ND2 . ASN C 194 ? 1.4152 1.1334 0.4968 -0.0021 0.0846 0.1589 195 ASN C ND2 4358 N N . SER C 195 ? 1.2393 1.0262 0.4159 0.0816 -0.0754 0.0718 196 SER C N 4359 C CA . SER C 195 ? 1.1985 1.0233 0.3998 0.0847 -0.0712 0.0316 196 SER C CA 4360 C C . SER C 195 ? 1.2534 1.0703 0.4011 0.0950 -0.1152 0.0199 196 SER C C 4361 O O . SER C 195 ? 1.2903 1.0855 0.4185 0.1064 -0.1588 0.0402 196 SER C O 4362 C CB . SER C 195 ? 1.0830 0.9466 0.3959 0.0929 -0.0732 0.0133 196 SER C CB 4363 O OG . SER C 195 ? 1.0371 0.9077 0.3975 0.0832 -0.0395 0.0229 196 SER C OG 4364 N N . ILE C 196 ? 1.2627 1.0958 0.3895 0.0917 -0.1061 -0.0139 197 ILE C N 4365 C CA . ILE C 196 ? 1.2988 1.1319 0.3949 0.1004 -0.1521 -0.0336 197 ILE C CA 4366 C C . ILE C 196 ? 1.1969 1.0701 0.4028 0.1108 -0.1728 -0.0577 197 ILE C C 4367 O O . ILE C 196 ? 1.1405 1.0395 0.3977 0.1068 -0.1482 -0.0861 197 ILE C O 4368 C CB . ILE C 196 ? 1.3839 1.2060 0.3894 0.0904 -0.1361 -0.0608 197 ILE C CB 4369 C CG1 . ILE C 196 ? 1.5056 1.2848 0.3898 0.0783 -0.1169 -0.0317 197 ILE C CG1 4370 C CG2 . ILE C 196 ? 1.4171 1.2433 0.4065 0.0980 -0.1879 -0.0879 197 ILE C CG2 4371 C CD1 . ILE C 196 ? 1.6309 1.3901 0.3965 0.0688 -0.1083 -0.0557 197 ILE C CD1 4372 N N . ILE C 197 ? 1.1764 1.0535 0.4206 0.1241 -0.2167 -0.0444 198 ILE C N 4373 C CA . ILE C 197 ? 1.0864 1.0023 0.4366 0.1323 -0.2329 -0.0616 198 ILE C CA 4374 C C . ILE C 197 ? 1.1183 1.0453 0.4708 0.1396 -0.2856 -0.0790 198 ILE C C 4375 O O . ILE C 197 ? 1.2097 1.1109 0.4860 0.1433 -0.3197 -0.0683 198 ILE C O 4376 C CB . ILE C 197 ? 1.0258 0.9477 0.4443 0.1416 -0.2320 -0.0377 198 ILE C CB 4377 C CG1 . ILE C 197 ? 1.0784 0.9793 0.4773 0.1568 -0.2763 -0.0128 198 ILE C CG1 4378 C CG2 . ILE C 197 ? 1.0010 0.9086 0.4115 0.1319 -0.1864 -0.0209 198 ILE C CG2 4379 C CD1 . ILE C 197 ? 1.0122 0.9226 0.4909 0.1693 -0.2782 0.0003 198 ILE C CD1 4380 N N . PRO C 198 ? 1.0552 1.0197 0.4941 0.1399 -0.2939 -0.1046 199 PRO C N 4381 C CA . PRO C 198 ? 1.0842 1.0651 0.5401 0.1436 -0.3443 -0.1240 199 PRO C CA 4382 C C . PRO C 198 ? 1.1198 1.0983 0.5799 0.1601 -0.3935 -0.1013 199 PRO C C 4383 O O . PRO C 198 ? 1.0884 1.0669 0.5864 0.1709 -0.3867 -0.0766 199 PRO C O 4384 C CB . PRO C 198 ? 0.9914 1.0140 0.5587 0.1395 -0.3348 -0.1451 199 PRO C CB 4385 C CG . PRO C 198 ? 0.9505 0.9690 0.5261 0.1303 -0.2795 -0.1466 199 PRO C CG 4386 C CD . PRO C 198 ? 0.9674 0.9588 0.4892 0.1341 -0.2576 -0.1161 199 PRO C CD 4387 N N . GLU C 199 ? 1.1908 1.1656 0.6130 0.1626 -0.4448 -0.1115 200 GLU C N 4388 C CA . GLU C 199 ? 1.2361 1.2109 0.6681 0.1803 -0.5021 -0.0924 200 GLU C CA 4389 C C . GLU C 199 ? 1.1503 1.1758 0.7214 0.1919 -0.5139 -0.0977 200 GLU C C 4390 O O . GLU C 199 ? 1.1495 1.1765 0.7571 0.2111 -0.5359 -0.0751 200 GLU C O 4391 C CB . GLU C 199 ? 1.3362 1.2998 0.6992 0.1780 -0.5588 -0.1073 200 GLU C CB 4392 N N . ASP C 200 ? 1.0849 1.1498 0.7336 0.1799 -0.4961 -0.1274 201 ASP C N 4393 C CA . ASP C 200 ? 1.0116 1.1292 0.7924 0.1857 -0.4987 -0.1356 201 ASP C CA 4394 C C . ASP C 200 ? 0.9285 1.0542 0.7631 0.1905 -0.4494 -0.1203 201 ASP C C 4395 O O . ASP C 200 ? 0.8660 1.0348 0.8028 0.1920 -0.4398 -0.1292 201 ASP C O 4396 C CB . ASP C 200 ? 0.9867 1.1399 0.8284 0.1674 -0.5013 -0.1710 201 ASP C CB 4397 C CG . ASP C 200 ? 0.9859 1.1196 0.7894 0.1476 -0.4536 -0.1857 201 ASP C CG 4398 O OD1 . ASP C 200 ? 0.9261 1.0799 0.7960 0.1389 -0.4143 -0.1896 201 ASP C OD1 4399 O OD2 . ASP C 200 ? 1.0700 1.1677 0.7770 0.1411 -0.4554 -0.1938 201 ASP C OD2 4400 N N . THR C 201 ? 0.9327 1.0175 0.6981 0.1917 -0.4191 -0.0981 202 THR C N 4401 C CA . THR C 201 ? 0.8651 0.9514 0.6685 0.1934 -0.3741 -0.0862 202 THR C CA 4402 C C . THR C 201 ? 0.8440 0.9495 0.7226 0.2140 -0.3874 -0.0769 202 THR C C 4403 O O . THR C 201 ? 0.8912 0.9790 0.7541 0.2327 -0.4249 -0.0604 202 THR C O 4404 C CB . THR C 201 ? 0.8860 0.9248 0.6045 0.1888 -0.3430 -0.0646 202 THR C CB 4405 O OG1 . THR C 201 ? 0.9113 0.9387 0.5739 0.1709 -0.3219 -0.0775 202 THR C OG1 4406 C CG2 . THR C 201 ? 0.8199 0.8614 0.5807 0.1886 -0.3021 -0.0562 202 THR C CG2 4407 N N . PHE C 202 ? 0.7680 0.9071 0.7255 0.2107 -0.3553 -0.0876 203 PHE C N 4408 C CA . PHE C 202 ? 0.7479 0.9123 0.7867 0.2287 -0.3567 -0.0869 203 PHE C CA 4409 C C . PHE C 202 ? 0.7567 0.8818 0.7647 0.2396 -0.3363 -0.0665 203 PHE C C 4410 O O . PHE C 202 ? 0.7300 0.8377 0.7079 0.2260 -0.2963 -0.0630 203 PHE C O 4411 C CB . PHE C 202 ? 0.6798 0.8937 0.8034 0.2166 -0.3255 -0.1075 203 PHE C CB 4412 C CG . PHE C 202 ? 0.6581 0.9047 0.8693 0.2332 -0.3166 -0.1126 203 PHE C CG 4413 C CD1 . PHE C 202 ? 0.6939 0.9625 0.9632 0.2569 -0.3570 -0.1146 203 PHE C CD1 4414 C CD2 . PHE C 202 ? 0.6105 0.8672 0.8477 0.2256 -0.2682 -0.1173 203 PHE C CD2 4415 C CE1 . PHE C 202 ? 0.6756 0.9778 1.0347 0.2745 -0.3444 -0.1237 203 PHE C CE1 4416 C CE2 . PHE C 202 ? 0.6006 0.8877 0.9146 0.2407 -0.2541 -0.1266 203 PHE C CE2 4417 C CZ . PHE C 202 ? 0.6189 0.9303 0.9981 0.2659 -0.2896 -0.1313 203 PHE C CZ 4418 N N . PHE C 203 ? 0.8076 0.9161 0.8245 0.2637 -0.3679 -0.0529 204 PHE C N 4419 C CA . PHE C 203 ? 0.8276 0.8970 0.8314 0.2766 -0.3536 -0.0359 204 PHE C CA 4420 C C . PHE C 203 ? 0.8209 0.9191 0.9229 0.3017 -0.3604 -0.0470 204 PHE C C 4421 O O . PHE C 203 ? 0.8670 0.9608 0.9947 0.3259 -0.4036 -0.0391 204 PHE C O 4422 C CB . PHE C 203 ? 0.9070 0.9165 0.8261 0.2840 -0.3837 -0.0057 204 PHE C CB 4423 C CG . PHE C 203 ? 0.9207 0.8975 0.7403 0.2598 -0.3656 0.0056 204 PHE C CG 4424 C CD1 . PHE C 203 ? 0.9582 0.9391 0.7269 0.2496 -0.3875 0.0017 204 PHE C CD1 4425 C CD2 . PHE C 203 ? 0.8853 0.8280 0.6645 0.2471 -0.3267 0.0176 204 PHE C CD2 4426 C CE1 . PHE C 203 ? 0.9785 0.9312 0.6576 0.2286 -0.3653 0.0083 204 PHE C CE1 4427 C CE2 . PHE C 203 ? 0.9062 0.8251 0.6048 0.2254 -0.3063 0.0265 204 PHE C CE2 4428 C CZ . PHE C 203 ? 0.9443 0.8685 0.5925 0.2169 -0.3229 0.0213 204 PHE C CZ 4429 N N . PRO C 204 ? 0.7723 0.9001 0.9290 0.2964 -0.3175 -0.0659 205 PRO C N 4430 C CA . PRO C 204 ? 0.7644 0.9317 1.0226 0.3174 -0.3132 -0.0845 205 PRO C CA 4431 C C . PRO C 204 ? 0.8169 0.9466 1.0892 0.3467 -0.3250 -0.0759 205 PRO C C 4432 O O . PRO C 204 ? 0.8449 0.9166 1.0501 0.3434 -0.3147 -0.0591 205 PRO C O 4433 C CB . PRO C 204 ? 0.7053 0.8987 0.9835 0.2979 -0.2573 -0.1028 205 PRO C CB 4434 C CG . PRO C 204 ? 0.6978 0.8498 0.8833 0.2739 -0.2367 -0.0888 205 PRO C CG 4435 C CD . PRO C 204 ? 0.7228 0.8530 0.8488 0.2688 -0.2715 -0.0723 205 PRO C CD 4436 N N . SER C 205 ? 0.8376 1.0016 1.2041 0.3748 -0.3467 -0.0885 206 SER C N 4437 C CA . SER C 205 ? 0.8884 1.0259 1.2973 0.4075 -0.3532 -0.0891 206 SER C CA 4438 C C . SER C 205 ? 0.9619 1.0175 1.2927 0.4182 -0.3856 -0.0552 206 SER C C 4439 O O . SER C 205 ? 0.9706 0.9739 1.2270 0.4025 -0.3599 -0.0432 206 SER C O 4440 C CB . SER C 205 ? 0.8562 0.9999 1.2909 0.4041 -0.2948 -0.1133 206 SER C CB 4441 O OG . SER C 205 ? 0.8984 1.0309 1.3994 0.4391 -0.2993 -0.1248 206 SER C OG 4442 N N . ALA D 3 ? 0.8637 0.7361 0.9868 0.0073 0.2949 0.1030 2 ALA D N 4443 C CA . ALA D 3 ? 0.8628 0.7221 0.8989 0.0123 0.2647 0.0852 2 ALA D CA 4444 C C . ALA D 3 ? 0.8267 0.7098 0.8752 0.0107 0.2433 0.0701 2 ALA D C 4445 O O . ALA D 3 ? 0.7818 0.6975 0.8751 -0.0018 0.2101 0.0597 2 ALA D O 4446 C CB . ALA D 3 ? 0.8408 0.7054 0.8616 0.0023 0.2280 0.0765 2 ALA D CB 4447 N N . ALA D 4 ? 0.8487 0.7102 0.8515 0.0250 0.2625 0.0689 3 ALA D N 4448 C CA . ALA D 4 ? 0.8092 0.6891 0.8275 0.0256 0.2502 0.0577 3 ALA D CA 4449 C C . ALA D 4 ? 0.7977 0.6656 0.7457 0.0293 0.2194 0.0402 3 ALA D C 4450 O O . ALA D 4 ? 0.8426 0.6764 0.7168 0.0376 0.2166 0.0377 3 ALA D O 4451 C CB . ALA D 4 ? 0.8429 0.7093 0.8742 0.0389 0.2943 0.0682 3 ALA D CB 4452 N N . VAL D 5 ? 0.7305 0.6244 0.7051 0.0235 0.1955 0.0290 4 VAL D N 4453 C CA . VAL D 5 ? 0.6925 0.5797 0.6188 0.0255 0.1673 0.0139 4 VAL D CA 4454 C C . VAL D 5 ? 0.6661 0.5609 0.6085 0.0300 0.1696 0.0087 4 VAL D C 4455 O O . VAL D 5 ? 0.6312 0.5557 0.6380 0.0234 0.1681 0.0111 4 VAL D O 4456 C CB . VAL D 5 ? 0.6520 0.5637 0.5929 0.0118 0.1296 0.0054 4 VAL D CB 4457 C CG1 . VAL D 5 ? 0.6303 0.5378 0.5371 0.0131 0.1047 -0.0073 4 VAL D CG1 4458 C CG2 . VAL D 5 ? 0.6646 0.5674 0.5892 0.0081 0.1256 0.0093 4 VAL D CG2 4459 N N . THR D 6 ? 0.6706 0.5361 0.5549 0.0418 0.1699 0.0008 5 THR D N 4460 C CA . THR D 6 ? 0.6482 0.5166 0.5435 0.0472 0.1719 -0.0048 5 THR D CA 4461 C C . THR D 6 ? 0.6200 0.4895 0.4928 0.0440 0.1370 -0.0189 5 THR D C 4462 O O . THR D 6 ? 0.6257 0.4815 0.4591 0.0426 0.1159 -0.0253 5 THR D O 4463 C CB . THR D 6 ? 0.7148 0.5440 0.5698 0.0669 0.2090 -0.0015 5 THR D CB 4464 O OG1 . THR D 6 ? 0.7562 0.5389 0.5230 0.0787 0.2009 -0.0099 5 THR D OG1 4465 C CG2 . THR D 6 ? 0.7186 0.5451 0.6025 0.0712 0.2516 0.0161 5 THR D CG2 4466 N N . GLN D 7 ? 0.5772 0.4622 0.4809 0.0432 0.1318 -0.0227 6 GLN D N 4467 C CA . GLN D 7 ? 0.5495 0.4388 0.4462 0.0392 0.1023 -0.0332 6 GLN D CA 4468 C C . GLN D 7 ? 0.5681 0.4430 0.4585 0.0495 0.1098 -0.0385 6 GLN D C 4469 O O . GLN D 7 ? 0.5760 0.4580 0.4984 0.0544 0.1324 -0.0328 6 GLN D O 4470 C CB . GLN D 7 ? 0.4866 0.4142 0.4354 0.0250 0.0828 -0.0308 6 GLN D CB 4471 C CG . GLN D 7 ? 0.4600 0.3979 0.4061 0.0152 0.0668 -0.0300 6 GLN D CG 4472 C CD . GLN D 7 ? 0.4256 0.3924 0.4122 0.0046 0.0505 -0.0277 6 GLN D CD 4473 O OE1 . GLN D 7 ? 0.3972 0.3770 0.4077 -0.0008 0.0507 -0.0228 6 GLN D OE1 4474 N NE2 . GLN D 7 ? 0.3793 0.3516 0.3707 0.0030 0.0358 -0.0310 6 GLN D NE2 4475 N N . SER D 8 ? 0.5756 0.4298 0.4309 0.0531 0.0902 -0.0497 7 SER D N 4476 C CA . SER D 8 ? 0.6001 0.4393 0.4507 0.0623 0.0928 -0.0565 7 SER D CA 4477 C C . SER D 8 ? 0.5750 0.4168 0.4290 0.0558 0.0603 -0.0652 7 SER D C 4478 O O . SER D 8 ? 0.5657 0.4043 0.4048 0.0499 0.0394 -0.0686 7 SER D O 4479 C CB . SER D 8 ? 0.6727 0.4616 0.4586 0.0815 0.1113 -0.0624 7 SER D CB 4480 O OG . SER D 8 ? 0.7300 0.4887 0.4602 0.0840 0.0903 -0.0703 7 SER D OG 4481 N N . PRO D 9 ? 0.5621 0.4122 0.4445 0.0561 0.0570 -0.0670 8 PRO D N 4482 C CA . PRO D 9 ? 0.5541 0.4173 0.4716 0.0606 0.0790 -0.0609 8 PRO D CA 4483 C C . PRO D 9 ? 0.5077 0.4119 0.4787 0.0482 0.0782 -0.0491 8 PRO D C 4484 O O . PRO D 9 ? 0.4892 0.4075 0.4615 0.0375 0.0628 -0.0468 8 PRO D O 4485 C CB . PRO D 9 ? 0.5486 0.4084 0.4797 0.0620 0.0651 -0.0669 8 PRO D CB 4486 C CG . PRO D 9 ? 0.5294 0.4006 0.4668 0.0494 0.0363 -0.0679 8 PRO D CG 4487 C CD . PRO D 9 ? 0.5404 0.3940 0.4364 0.0495 0.0302 -0.0723 8 PRO D CD 4488 N N . ARG D 10 ? 0.5021 0.4224 0.5173 0.0505 0.0930 -0.0424 9 ARG D N 4489 C CA . ARG D 10 ? 0.4694 0.4229 0.5359 0.0403 0.0862 -0.0331 9 ARG D CA 4490 C C . ARG D 10 ? 0.4358 0.4047 0.5276 0.0342 0.0620 -0.0323 9 ARG D C 4491 O O . ARG D 10 ? 0.4045 0.3931 0.5224 0.0261 0.0469 -0.0268 9 ARG D O 4492 C CB . ARG D 10 ? 0.4831 0.4449 0.5930 0.0462 0.1126 -0.0253 9 ARG D CB 4493 C CG . ARG D 10 ? 0.5576 0.5026 0.6405 0.0516 0.1399 -0.0222 9 ARG D CG 4494 C CD . ARG D 10 ? 0.5755 0.5336 0.6554 0.0391 0.1252 -0.0190 9 ARG D CD 4495 N NE . ARG D 10 ? 0.6006 0.5903 0.7427 0.0291 0.1089 -0.0133 9 ARG D NE 4496 C CZ . ARG D 10 ? 0.6219 0.6270 0.8241 0.0287 0.1225 -0.0045 9 ARG D CZ 4497 N NH1 . ARG D 10 ? 0.6144 0.6080 0.8232 0.0373 0.1592 0.0020 9 ARG D NH1 4498 N NH2 . ARG D 10 ? 0.6205 0.6491 0.8760 0.0205 0.0990 -0.0017 9 ARG D NH2 4499 N N . ASN D 11 ? 0.4351 0.3894 0.5137 0.0395 0.0580 -0.0381 10 ASN D N 4500 C CA . ASN D 11 ? 0.4175 0.3804 0.5175 0.0362 0.0396 -0.0358 10 ASN D CA 4501 C C . ASN D 11 ? 0.4294 0.3698 0.5024 0.0401 0.0338 -0.0440 10 ASN D C 4502 O O . ASN D 11 ? 0.4535 0.3715 0.5057 0.0502 0.0464 -0.0519 10 ASN D O 4503 C CB . ASN D 11 ? 0.4122 0.3878 0.5620 0.0411 0.0452 -0.0302 10 ASN D CB 4504 C CG . ASN D 11 ? 0.4169 0.4039 0.5900 0.0364 0.0219 -0.0241 10 ASN D CG 4505 O OD1 . ASN D 11 ? 0.4639 0.4417 0.6186 0.0346 0.0098 -0.0248 10 ASN D OD1 4506 N ND2 . ASN D 11 ? 0.3872 0.3907 0.6018 0.0352 0.0146 -0.0174 10 ASN D ND2 4507 N N . LYS D 12 ? 0.4174 0.3601 0.4899 0.0330 0.0152 -0.0420 11 LYS D N 4508 C CA . LYS D 12 ? 0.4282 0.3507 0.4859 0.0345 0.0061 -0.0490 11 LYS D CA 4509 C C . LYS D 12 ? 0.4208 0.3501 0.5018 0.0296 -0.0063 -0.0410 11 LYS D C 4510 O O . LYS D 12 ? 0.4116 0.3545 0.4978 0.0224 -0.0125 -0.0317 11 LYS D O 4511 C CB . LYS D 12 ? 0.4349 0.3474 0.4644 0.0299 -0.0020 -0.0545 11 LYS D CB 4512 C CG . LYS D 12 ? 0.4472 0.3399 0.4734 0.0293 -0.0176 -0.0614 11 LYS D CG 4513 C CD . LYS D 12 ? 0.5274 0.3889 0.5318 0.0413 -0.0166 -0.0748 11 LYS D CD 4514 C CE . LYS D 12 ? 0.5376 0.3758 0.5396 0.0401 -0.0386 -0.0840 11 LYS D CE 4515 N NZ . LYS D 12 ? 0.6216 0.4227 0.5955 0.0539 -0.0402 -0.0989 11 LYS D NZ 4516 N N . VAL D 13 ? 0.4325 0.3481 0.5237 0.0349 -0.0089 -0.0442 12 VAL D N 4517 C CA . VAL D 13 ? 0.4255 0.3406 0.5356 0.0309 -0.0197 -0.0361 12 VAL D CA 4518 C C . VAL D 13 ? 0.4443 0.3406 0.5486 0.0283 -0.0292 -0.0432 12 VAL D C 4519 O O . VAL D 13 ? 0.4698 0.3443 0.5614 0.0350 -0.0313 -0.0568 12 VAL D O 4520 C CB . VAL D 13 ? 0.4367 0.3495 0.5707 0.0382 -0.0185 -0.0333 12 VAL D CB 4521 C CG1 . VAL D 13 ? 0.4383 0.3454 0.5885 0.0349 -0.0287 -0.0232 12 VAL D CG1 4522 C CG2 . VAL D 13 ? 0.3970 0.3290 0.5479 0.0406 -0.0138 -0.0264 12 VAL D CG2 4523 N N . ALA D 14 ? 0.4289 0.3304 0.5430 0.0195 -0.0351 -0.0343 13 ALA D N 4524 C CA . ALA D 14 ? 0.4349 0.3216 0.5590 0.0154 -0.0461 -0.0393 13 ALA D CA 4525 C C . ALA D 14 ? 0.4310 0.3176 0.5878 0.0100 -0.0476 -0.0250 13 ALA D C 4526 O O . ALA D 14 ? 0.4190 0.3157 0.5782 0.0093 -0.0393 -0.0099 13 ALA D O 4527 C CB . ALA D 14 ? 0.4214 0.3122 0.5324 0.0104 -0.0492 -0.0430 13 ALA D CB 4528 N N . VAL D 15 ? 0.4499 0.3212 0.6313 0.0069 -0.0589 -0.0294 14 VAL D N 4529 C CA . VAL D 15 ? 0.4511 0.3201 0.6722 0.0010 -0.0573 -0.0142 14 VAL D CA 4530 C C . VAL D 15 ? 0.4532 0.3307 0.6951 -0.0074 -0.0541 -0.0061 14 VAL D C 4531 O O . VAL D 15 ? 0.4543 0.3318 0.6914 -0.0093 -0.0642 -0.0180 14 VAL D O 4532 C CB . VAL D 15 ? 0.4684 0.3145 0.7180 0.0026 -0.0721 -0.0227 14 VAL D CB 4533 C CG1 . VAL D 15 ? 0.4589 0.2887 0.7198 0.0003 -0.0935 -0.0400 14 VAL D CG1 4534 C CG2 . VAL D 15 ? 0.4845 0.3275 0.7750 -0.0015 -0.0651 -0.0032 14 VAL D CG2 4535 N N . THR D 16 ? 0.4607 0.3428 0.7242 -0.0110 -0.0385 0.0150 15 THR D N 4536 C CA . THR D 16 ? 0.4622 0.3492 0.7609 -0.0180 -0.0299 0.0264 15 THR D CA 4537 C C . THR D 16 ? 0.4704 0.3482 0.8171 -0.0234 -0.0510 0.0141 15 THR D C 4538 O O . THR D 16 ? 0.4795 0.3415 0.8539 -0.0235 -0.0643 0.0092 15 THR D O 4539 C CB . THR D 16 ? 0.4757 0.3577 0.7957 -0.0184 -0.0072 0.0526 15 THR D CB 4540 O OG1 . THR D 16 ? 0.4964 0.3803 0.7646 -0.0117 0.0067 0.0629 15 THR D OG1 4541 C CG2 . THR D 16 ? 0.4786 0.3646 0.8424 -0.0243 0.0085 0.0668 15 THR D CG2 4542 N N . GLY D 17 ? 0.4679 0.3529 0.8248 -0.0272 -0.0570 0.0083 16 GLY D N 4543 C CA . GLY D 17 ? 0.4862 0.3604 0.8912 -0.0318 -0.0829 -0.0038 16 GLY D CA 4544 C C . GLY D 17 ? 0.5059 0.3635 0.8705 -0.0262 -0.1125 -0.0308 16 GLY D C 4545 O O . GLY D 17 ? 0.5263 0.3705 0.9156 -0.0281 -0.1398 -0.0440 16 GLY D O 4546 N N . GLY D 18 ? 0.5089 0.3641 0.8117 -0.0182 -0.1070 -0.0384 17 GLY D N 4547 C CA . GLY D 18 ? 0.5272 0.3623 0.7804 -0.0099 -0.1263 -0.0614 17 GLY D CA 4548 C C . GLY D 18 ? 0.5148 0.3572 0.7367 -0.0094 -0.1275 -0.0664 17 GLY D C 4549 O O . GLY D 18 ? 0.4919 0.3590 0.7185 -0.0142 -0.1087 -0.0527 17 GLY D O 4550 N N . LYS D 19 ? 0.5397 0.3557 0.7252 -0.0023 -0.1501 -0.0863 18 LYS D N 4551 C CA . LYS D 19 ? 0.5337 0.3510 0.6806 0.0001 -0.1513 -0.0913 18 LYS D CA 4552 C C . LYS D 19 ? 0.5270 0.3482 0.6142 0.0080 -0.1291 -0.0920 18 LYS D C 4553 O O . LYS D 19 ? 0.5526 0.3549 0.6090 0.0172 -0.1265 -0.1004 18 LYS D O 4554 C CB . LYS D 19 ? 0.5843 0.3651 0.7151 0.0058 -0.1877 -0.1110 18 LYS D CB 4555 C CG . LYS D 19 ? 0.5960 0.3767 0.6969 0.0073 -0.1932 -0.1139 18 LYS D CG 4556 C CD . LYS D 19 ? 0.6916 0.4270 0.7698 0.0153 -0.2350 -0.1344 18 LYS D CD 4557 C CE . LYS D 19 ? 0.7484 0.4676 0.7668 0.0230 -0.2412 -0.1409 18 LYS D CE 4558 N NZ . LYS D 19 ? 0.8584 0.5185 0.8310 0.0362 -0.2836 -0.1634 18 LYS D NZ 4559 N N . VAL D 20 ? 0.4948 0.3398 0.5710 0.0046 -0.1123 -0.0827 19 VAL D N 4560 C CA . VAL D 20 ? 0.4830 0.3340 0.5144 0.0104 -0.0922 -0.0819 19 VAL D CA 4561 C C . VAL D 20 ? 0.4892 0.3380 0.4908 0.0115 -0.0944 -0.0851 19 VAL D C 4562 O O . VAL D 20 ? 0.4600 0.3224 0.4856 0.0042 -0.0996 -0.0797 19 VAL D O 4563 C CB . VAL D 20 ? 0.4487 0.3311 0.4979 0.0054 -0.0692 -0.0658 19 VAL D CB 4564 C CG1 . VAL D 20 ? 0.4305 0.3219 0.4473 0.0096 -0.0521 -0.0644 19 VAL D CG1 4565 C CG2 . VAL D 20 ? 0.4434 0.3235 0.5129 0.0069 -0.0666 -0.0625 19 VAL D CG2 4566 N N . THR D 21 ? 0.5208 0.3498 0.4708 0.0217 -0.0883 -0.0930 20 THR D N 4567 C CA . THR D 21 ? 0.5372 0.3603 0.4524 0.0243 -0.0867 -0.0943 20 THR D CA 4568 C C . THR D 21 ? 0.5277 0.3656 0.4250 0.0268 -0.0578 -0.0867 20 THR D C 4569 O O . THR D 21 ? 0.5390 0.3664 0.4189 0.0352 -0.0433 -0.0888 20 THR D O 4570 C CB . THR D 21 ? 0.5991 0.3739 0.4608 0.0370 -0.1063 -0.1101 20 THR D CB 4571 O OG1 . THR D 21 ? 0.6231 0.3824 0.5103 0.0344 -0.1395 -0.1187 20 THR D OG1 4572 C CG2 . THR D 21 ? 0.6191 0.3851 0.4428 0.0401 -0.1048 -0.1093 20 THR D CG2 4573 N N . LEU D 22 ? 0.5012 0.3628 0.4080 0.0197 -0.0499 -0.0778 21 LEU D N 4574 C CA . LEU D 22 ? 0.4930 0.3684 0.3912 0.0206 -0.0268 -0.0706 21 LEU D CA 4575 C C . LEU D 22 ? 0.5290 0.3846 0.3864 0.0261 -0.0251 -0.0734 21 LEU D C 4576 O O . LEU D 22 ? 0.5352 0.3883 0.3902 0.0225 -0.0404 -0.0748 21 LEU D O 4577 C CB . LEU D 22 ? 0.4458 0.3564 0.3804 0.0099 -0.0216 -0.0595 21 LEU D CB 4578 C CG . LEU D 22 ? 0.4260 0.3501 0.3935 0.0062 -0.0234 -0.0549 21 LEU D CG 4579 C CD1 . LEU D 22 ? 0.3938 0.3429 0.3807 -0.0003 -0.0170 -0.0442 21 LEU D CD1 4580 C CD2 . LEU D 22 ? 0.4109 0.3257 0.3775 0.0136 -0.0164 -0.0579 21 LEU D CD2 4581 N N . SER D 23 ? 0.5575 0.3966 0.3841 0.0359 -0.0051 -0.0731 22 SER D N 4582 C CA . SER D 23 ? 0.6067 0.4183 0.3852 0.0439 -0.0003 -0.0743 22 SER D CA 4583 C C . SER D 23 ? 0.5884 0.4185 0.3773 0.0411 0.0251 -0.0625 22 SER D C 4584 O O . SER D 23 ? 0.5580 0.4084 0.3779 0.0396 0.0448 -0.0558 22 SER D O 4585 C CB . SER D 23 ? 0.6703 0.4328 0.3900 0.0615 0.0041 -0.0834 22 SER D CB 4586 O OG . SER D 23 ? 0.7353 0.4764 0.4471 0.0642 -0.0249 -0.0963 22 SER D OG 4587 N N . CYS D 24 ? 0.5967 0.4173 0.3627 0.0408 0.0221 -0.0602 23 CYS D N 4588 C CA . CYS D 24 ? 0.5989 0.4317 0.3738 0.0382 0.0437 -0.0492 23 CYS D CA 4589 C C . CYS D 24 ? 0.6476 0.4395 0.3629 0.0504 0.0538 -0.0479 23 CYS D C 4590 O O . CYS D 24 ? 0.6751 0.4422 0.3540 0.0539 0.0316 -0.0542 23 CYS D O 4591 C CB . CYS D 24 ? 0.5504 0.4148 0.3613 0.0243 0.0305 -0.0456 23 CYS D CB 4592 S SG . CYS D 24 ? 0.5742 0.4512 0.4011 0.0204 0.0523 -0.0335 23 CYS D SG 4593 N N . ASN D 25 ? 0.6723 0.4554 0.3805 0.0574 0.0876 -0.0384 24 ASN D N 4594 C CA . ASN D 25 ? 0.7354 0.4752 0.3827 0.0709 0.1054 -0.0331 24 ASN D CA 4595 C C . ASN D 25 ? 0.7176 0.4733 0.3926 0.0654 0.1303 -0.0176 24 ASN D C 4596 O O . ASN D 25 ? 0.6726 0.4635 0.4102 0.0570 0.1471 -0.0097 24 ASN D O 4597 C CB . ASN D 25 ? 0.8063 0.5034 0.4032 0.0904 0.1311 -0.0344 24 ASN D CB 4598 C CG . ASN D 25 ? 0.9063 0.5476 0.4244 0.1079 0.1507 -0.0283 24 ASN D CG 4599 O OD1 . ASN D 25 ? 1.0074 0.6036 0.4554 0.1185 0.1263 -0.0380 24 ASN D OD1 4600 N ND2 . ASN D 25 ? 0.9108 0.5519 0.4412 0.1117 0.1942 -0.0114 24 ASN D ND2 4601 N N . GLN D 26 ? 0.7560 0.4810 0.3836 0.0714 0.1312 -0.0132 25 GLN D N 4602 C CA . GLN D 26 ? 0.7450 0.4818 0.3979 0.0653 0.1498 0.0011 25 GLN D CA 4603 C C . GLN D 26 ? 0.8218 0.5025 0.3974 0.0818 0.1670 0.0088 25 GLN D C 4604 O O . GLN D 26 ? 0.8644 0.5102 0.3784 0.0896 0.1407 0.0005 25 GLN D O 4605 C CB . GLN D 26 ? 0.6892 0.4621 0.3834 0.0482 0.1175 -0.0032 25 GLN D CB 4606 C CG . GLN D 26 ? 0.7042 0.4808 0.4102 0.0425 0.1230 0.0068 25 GLN D CG 4607 C CD . GLN D 26 ? 0.7303 0.4669 0.3722 0.0513 0.1093 0.0061 25 GLN D CD 4608 O OE1 . GLN D 26 ? 0.7962 0.5025 0.4051 0.0598 0.1323 0.0181 25 GLN D OE1 4609 N NE2 . GLN D 26 ? 0.7185 0.4534 0.3462 0.0497 0.0720 -0.0066 25 GLN D NE2 4610 N N . THR D 27 ? 0.8500 0.5197 0.4305 0.0880 0.2107 0.0257 26 THR D N 4611 C CA . THR D 27 ? 0.9371 0.5476 0.4388 0.1061 0.2351 0.0367 26 THR D CA 4612 C C . THR D 27 ? 0.9280 0.5447 0.4521 0.0985 0.2460 0.0525 26 THR D C 4613 O O . THR D 27 ? 0.9848 0.5583 0.4628 0.1123 0.2804 0.0684 26 THR D O 4614 C CB . THR D 27 ? 1.0028 0.5803 0.4781 0.1246 0.2872 0.0475 26 THR D CB 4615 O OG1 . THR D 27 ? 0.9658 0.5917 0.5404 0.1127 0.3176 0.0599 26 THR D OG1 4616 C CG2 . THR D 27 ? 1.0231 0.5770 0.4524 0.1372 0.2758 0.0307 26 THR D CG2 4617 N N . ASN D 28 ? 0.8535 0.5195 0.4447 0.0780 0.2180 0.0483 27 ASN D N 4618 C CA . ASN D 28 ? 0.8440 0.5222 0.4705 0.0683 0.2247 0.0613 27 ASN D CA 4619 C C . ASN D 28 ? 0.8743 0.5210 0.4410 0.0728 0.1985 0.0588 27 ASN D C 4620 O O . ASN D 28 ? 0.8679 0.5181 0.4538 0.0664 0.2007 0.0686 27 ASN D O 4621 C CB . ASN D 28 ? 0.7605 0.5008 0.4816 0.0461 0.2045 0.0560 27 ASN D CB 4622 C CG . ASN D 28 ? 0.7383 0.5131 0.5228 0.0405 0.2168 0.0548 27 ASN D CG 4623 O OD1 . ASN D 28 ? 0.7943 0.5623 0.5993 0.0466 0.2556 0.0680 27 ASN D OD1 4624 N ND2 . ASN D 28 ? 0.6919 0.5026 0.5105 0.0297 0.1849 0.0402 27 ASN D ND2 4625 N N . ASN D 29 ? 0.9108 0.5265 0.4104 0.0835 0.1704 0.0449 28 ASN D N 4626 C CA . ASN D 29 ? 0.9398 0.5290 0.3919 0.0872 0.1341 0.0388 28 ASN D CA 4627 C C . ASN D 29 ? 0.8561 0.4957 0.3775 0.0676 0.1032 0.0320 28 ASN D C 4628 O O . ASN D 29 ? 0.8610 0.4898 0.3719 0.0667 0.0879 0.0351 28 ASN D O 4629 C CB . ASN D 29 ? 1.0253 0.5561 0.4062 0.1030 0.1549 0.0551 28 ASN D CB 4630 C CG . ASN D 29 ? 1.0923 0.5785 0.4017 0.1138 0.1132 0.0467 28 ASN D CG 4631 O OD1 . ASN D 29 ? 1.1204 0.5990 0.4084 0.1172 0.0755 0.0288 28 ASN D OD1 4632 N ND2 . ASN D 29 ? 1.1252 0.5809 0.4030 0.1192 0.1182 0.0601 28 ASN D ND2 4633 N N . HIS D 30 ? 0.7724 0.4627 0.3602 0.0535 0.0955 0.0232 29 HIS D N 4634 C CA . HIS D 30 ? 0.7001 0.4339 0.3469 0.0375 0.0700 0.0160 29 HIS D CA 4635 C C . HIS D 30 ? 0.6949 0.4226 0.3229 0.0395 0.0311 0.0017 29 HIS D C 4636 O O . HIS D 30 ? 0.7137 0.4314 0.3211 0.0453 0.0204 -0.0075 29 HIS D O 4637 C CB . HIS D 30 ? 0.6354 0.4179 0.3515 0.0243 0.0765 0.0130 29 HIS D CB 4638 C CG . HIS D 30 ? 0.6209 0.4187 0.3812 0.0181 0.1050 0.0259 29 HIS D CG 4639 N ND1 . HIS D 30 ? 0.5740 0.4063 0.3926 0.0094 0.1127 0.0253 29 HIS D ND1 4640 C CD2 . HIS D 30 ? 0.6353 0.4167 0.3949 0.0195 0.1264 0.0404 29 HIS D CD2 4641 C CE1 . HIS D 30 ? 0.5746 0.4125 0.4323 0.0051 0.1351 0.0379 29 HIS D CE1 4642 N NE2 . HIS D 30 ? 0.6058 0.4141 0.4304 0.0108 0.1458 0.0479 29 HIS D NE2 4643 N N . ASN D 31 ? 0.6670 0.4000 0.3078 0.0350 0.0096 0.0001 30 ASN D N 4644 C CA . ASN D 31 ? 0.6524 0.3840 0.2931 0.0361 -0.0268 -0.0121 30 ASN D CA 4645 C C . ASN D 31 ? 0.5936 0.3678 0.2891 0.0254 -0.0340 -0.0213 30 ASN D C 4646 O O . ASN D 31 ? 0.6033 0.3744 0.2993 0.0276 -0.0562 -0.0309 30 ASN D O 4647 C CB . ASN D 31 ? 0.6444 0.3768 0.2991 0.0335 -0.0450 -0.0109 30 ASN D CB 4648 C CG . ASN D 31 ? 0.7016 0.3818 0.2929 0.0473 -0.0545 -0.0053 30 ASN D CG 4649 O OD1 . ASN D 31 ? 0.7618 0.3989 0.2883 0.0606 -0.0448 -0.0014 30 ASN D OD1 4650 N ND2 . ASN D 31 ? 0.6874 0.3675 0.2937 0.0458 -0.0730 -0.0046 30 ASN D ND2 4651 N N . ASN D 32 ? 0.5358 0.3460 0.2768 0.0145 -0.0166 -0.0179 31 ASN D N 4652 C CA . ASN D 32 ? 0.4872 0.3341 0.2765 0.0051 -0.0244 -0.0247 31 ASN D CA 4653 C C . ASN D 32 ? 0.4641 0.3282 0.2685 0.0022 -0.0115 -0.0259 31 ASN D C 4654 O O . ASN D 32 ? 0.4621 0.3302 0.2714 0.0010 0.0091 -0.0196 31 ASN D O 4655 C CB . ASN D 32 ? 0.4498 0.3184 0.2737 -0.0030 -0.0223 -0.0223 31 ASN D CB 4656 C CG . ASN D 32 ? 0.4868 0.3361 0.2960 0.0005 -0.0325 -0.0196 31 ASN D CG 4657 O OD1 . ASN D 32 ? 0.5007 0.3352 0.2980 0.0060 -0.0530 -0.0239 31 ASN D OD1 4658 N ND2 . ASN D 32 ? 0.4673 0.3146 0.2801 -0.0020 -0.0203 -0.0122 31 ASN D ND2 4659 N N . MET D 33 ? 0.4473 0.3216 0.2653 0.0011 -0.0238 -0.0332 32 MET D N 4660 C CA . MET D 33 ? 0.4474 0.3369 0.2804 -0.0010 -0.0141 -0.0343 32 MET D CA 4661 C C . MET D 33 ? 0.4187 0.3348 0.2893 -0.0079 -0.0221 -0.0377 32 MET D C 4662 O O . MET D 33 ? 0.4214 0.3402 0.3050 -0.0090 -0.0354 -0.0405 32 MET D O 4663 C CB . MET D 33 ? 0.4772 0.3410 0.2760 0.0083 -0.0153 -0.0382 32 MET D CB 4664 C CG . MET D 33 ? 0.5099 0.3401 0.2613 0.0182 -0.0010 -0.0330 32 MET D CG 4665 S SD . MET D 33 ? 0.5991 0.3896 0.2967 0.0331 0.0035 -0.0377 32 MET D SD 4666 C CE . MET D 33 ? 0.5035 0.3261 0.2444 0.0277 0.0270 -0.0349 32 MET D CE 4667 N N . TYR D 34 ? 0.3968 0.3299 0.2855 -0.0113 -0.0129 -0.0365 33 TYR D N 4668 C CA . TYR D 34 ? 0.3853 0.3383 0.3007 -0.0163 -0.0159 -0.0370 33 TYR D CA 4669 C C . TYR D 34 ? 0.3896 0.3495 0.3134 -0.0162 -0.0123 -0.0372 33 TYR D C 4670 O O . TYR D 34 ? 0.4018 0.3603 0.3226 -0.0146 -0.0032 -0.0355 33 TYR D O 4671 C CB . TYR D 34 ? 0.3665 0.3302 0.2929 -0.0206 -0.0113 -0.0345 33 TYR D CB 4672 C CG . TYR D 34 ? 0.3769 0.3328 0.2964 -0.0208 -0.0125 -0.0335 33 TYR D CG 4673 C CD1 . TYR D 34 ? 0.3765 0.3335 0.3020 -0.0209 -0.0188 -0.0353 33 TYR D CD1 4674 C CD2 . TYR D 34 ? 0.4156 0.3615 0.3250 -0.0201 -0.0048 -0.0294 33 TYR D CD2 4675 C CE1 . TYR D 34 ? 0.4071 0.3559 0.3278 -0.0205 -0.0210 -0.0344 33 TYR D CE1 4676 C CE2 . TYR D 34 ? 0.4024 0.3386 0.3048 -0.0199 -0.0057 -0.0272 33 TYR D CE2 4677 C CZ . TYR D 34 ? 0.4187 0.3567 0.3263 -0.0203 -0.0157 -0.0304 33 TYR D CZ 4678 O OH . TYR D 34 ? 0.3740 0.3020 0.2770 -0.0198 -0.0177 -0.0283 33 TYR D OH 4679 N N . TRP D 35 ? 0.3801 0.3469 0.3184 -0.0173 -0.0173 -0.0379 34 TRP D N 4680 C CA . TRP D 35 ? 0.3624 0.3350 0.3099 -0.0172 -0.0148 -0.0369 34 TRP D CA 4681 C C . TRP D 35 ? 0.3452 0.3278 0.3030 -0.0193 -0.0126 -0.0330 34 TRP D C 4682 O O . TRP D 35 ? 0.3499 0.3332 0.3124 -0.0197 -0.0123 -0.0317 34 TRP D O 4683 C CB . TRP D 35 ? 0.3631 0.3279 0.3157 -0.0151 -0.0225 -0.0400 34 TRP D CB 4684 C CG . TRP D 35 ? 0.3847 0.3331 0.3181 -0.0099 -0.0244 -0.0449 34 TRP D CG 4685 C CD1 . TRP D 35 ? 0.4070 0.3342 0.3210 -0.0052 -0.0356 -0.0509 34 TRP D CD1 4686 C CD2 . TRP D 35 ? 0.3792 0.3261 0.3077 -0.0067 -0.0153 -0.0448 34 TRP D CD2 4687 N NE1 . TRP D 35 ? 0.4386 0.3470 0.3270 0.0018 -0.0321 -0.0548 34 TRP D NE1 4688 C CE2 . TRP D 35 ? 0.3881 0.3105 0.2890 0.0007 -0.0174 -0.0507 34 TRP D CE2 4689 C CE3 . TRP D 35 ? 0.3752 0.3366 0.3202 -0.0084 -0.0067 -0.0403 34 TRP D CE3 4690 C CZ2 . TRP D 35 ? 0.4250 0.3376 0.3147 0.0072 -0.0062 -0.0520 34 TRP D CZ2 4691 C CZ3 . TRP D 35 ? 0.3879 0.3438 0.3311 -0.0033 0.0018 -0.0411 34 TRP D CZ3 4692 C CH2 . TRP D 35 ? 0.4098 0.3421 0.3257 0.0046 0.0046 -0.0466 34 TRP D CH2 4693 N N . TYR D 36 ? 0.3404 0.3275 0.3007 -0.0191 -0.0109 -0.0310 35 TYR D N 4694 C CA . TYR D 36 ? 0.3369 0.3249 0.2950 -0.0185 -0.0118 -0.0276 35 TYR D CA 4695 C C . TYR D 36 ? 0.3393 0.3280 0.3036 -0.0166 -0.0129 -0.0248 35 TYR D C 4696 O O . TYR D 36 ? 0.3249 0.3160 0.2983 -0.0163 -0.0124 -0.0265 35 TYR D O 4697 C CB . TYR D 36 ? 0.3446 0.3327 0.2989 -0.0193 -0.0168 -0.0288 35 TYR D CB 4698 C CG . TYR D 36 ? 0.3451 0.3313 0.2949 -0.0213 -0.0169 -0.0314 35 TYR D CG 4699 C CD1 . TYR D 36 ? 0.3542 0.3421 0.3101 -0.0235 -0.0137 -0.0322 35 TYR D CD1 4700 C CD2 . TYR D 36 ? 0.3408 0.3191 0.2763 -0.0195 -0.0191 -0.0325 35 TYR D CD2 4701 C CE1 . TYR D 36 ? 0.3394 0.3238 0.2919 -0.0251 -0.0140 -0.0334 35 TYR D CE1 4702 C CE2 . TYR D 36 ? 0.3421 0.3175 0.2752 -0.0209 -0.0199 -0.0353 35 TYR D CE2 4703 C CZ . TYR D 36 ? 0.3352 0.3149 0.2792 -0.0244 -0.0183 -0.0354 35 TYR D CZ 4704 O OH . TYR D 36 ? 0.3635 0.3386 0.3059 -0.0258 -0.0194 -0.0370 35 TYR D OH 4705 N N . ARG D 37 ? 0.3486 0.3313 0.3038 -0.0139 -0.0131 -0.0201 36 ARG D N 4706 C CA . ARG D 37 ? 0.3538 0.3336 0.3102 -0.0110 -0.0172 -0.0163 36 ARG D CA 4707 C C . ARG D 37 ? 0.3690 0.3378 0.3053 -0.0072 -0.0266 -0.0150 36 ARG D C 4708 O O . ARG D 37 ? 0.3758 0.3337 0.2890 -0.0047 -0.0254 -0.0153 36 ARG D O 4709 C CB . ARG D 37 ? 0.3561 0.3311 0.3167 -0.0093 -0.0098 -0.0100 36 ARG D CB 4710 C CG . ARG D 37 ? 0.3789 0.3434 0.3256 -0.0062 0.0007 -0.0034 36 ARG D CG 4711 C CD . ARG D 37 ? 0.3859 0.3459 0.3474 -0.0050 0.0108 0.0054 36 ARG D CD 4712 N NE . ARG D 37 ? 0.4115 0.3596 0.3574 0.0000 0.0085 0.0122 36 ARG D NE 4713 C CZ . ARG D 37 ? 0.4254 0.3661 0.3812 0.0019 0.0169 0.0219 36 ARG D CZ 4714 N NH1 . ARG D 37 ? 0.3975 0.3433 0.3856 -0.0016 0.0275 0.0253 36 ARG D NH1 4715 N NH2 . ARG D 37 ? 0.4501 0.3769 0.3870 0.0076 0.0129 0.0286 36 ARG D NH2 4716 N N . GLN D 38 ? 0.3753 0.3439 0.3201 -0.0054 -0.0377 -0.0143 37 GLN D N 4717 C CA . GLN D 38 ? 0.3996 0.3541 0.3284 -0.0009 -0.0553 -0.0146 37 GLN D CA 4718 C C . GLN D 38 ? 0.4321 0.3724 0.3468 0.0055 -0.0605 -0.0079 37 GLN D C 4719 O O . GLN D 38 ? 0.4268 0.3765 0.3673 0.0047 -0.0618 -0.0060 37 GLN D O 4720 C CB . GLN D 38 ? 0.3781 0.3444 0.3409 -0.0044 -0.0688 -0.0194 37 GLN D CB 4721 C CG . GLN D 38 ? 0.4042 0.3538 0.3586 0.0003 -0.0953 -0.0211 37 GLN D CG 4722 C CD . GLN D 38 ? 0.4133 0.3770 0.4182 -0.0040 -0.1092 -0.0247 37 GLN D CD 4723 O OE1 . GLN D 38 ? 0.3925 0.3753 0.4397 -0.0068 -0.1000 -0.0225 37 GLN D OE1 4724 N NE2 . GLN D 38 ? 0.3897 0.3417 0.3927 -0.0038 -0.1306 -0.0302 37 GLN D NE2 4725 N N . ASP D 39 ? 0.4859 0.3997 0.3560 0.0134 -0.0622 -0.0038 38 ASP D N 4726 C CA . ASP D 39 ? 0.5455 0.4376 0.3917 0.0219 -0.0679 0.0044 38 ASP D CA 4727 C C . ASP D 39 ? 0.5999 0.4602 0.4037 0.0315 -0.0929 0.0020 38 ASP D C 4728 O O . ASP D 39 ? 0.6202 0.4662 0.3956 0.0341 -0.0974 -0.0038 38 ASP D O 4729 C CB . ASP D 39 ? 0.5618 0.4425 0.3871 0.0256 -0.0418 0.0152 38 ASP D CB 4730 C CG . ASP D 39 ? 0.5394 0.4478 0.4095 0.0162 -0.0241 0.0154 38 ASP D CG 4731 O OD1 . ASP D 39 ? 0.5180 0.4357 0.4148 0.0140 -0.0252 0.0177 38 ASP D OD1 4732 O OD2 . ASP D 39 ? 0.5178 0.4362 0.3962 0.0119 -0.0122 0.0121 38 ASP D OD2 4733 N N . THR D 40 ? 0.6410 0.4868 0.4392 0.0377 -0.1121 0.0059 39 THR D N 4734 C CA . THR D 40 ? 0.7059 0.5148 0.4609 0.0486 -0.1436 0.0029 39 THR D CA 4735 C C . THR D 40 ? 0.7634 0.5321 0.4420 0.0600 -0.1330 0.0052 39 THR D C 4736 O O . THR D 40 ? 0.7671 0.5289 0.4225 0.0633 -0.1002 0.0156 39 THR D O 4737 C CB . THR D 40 ? 0.7484 0.5400 0.4972 0.0565 -0.1615 0.0104 39 THR D CB 4738 O OG1 . THR D 40 ? 0.7797 0.5583 0.4991 0.0616 -0.1335 0.0243 39 THR D OG1 4739 C CG2 . THR D 40 ? 0.7031 0.5330 0.5315 0.0470 -0.1712 0.0077 39 THR D CG2 4740 N N . GLY D 41 ? 0.8099 0.5509 0.4536 0.0666 -0.1597 -0.0048 40 GLY D N 4741 C CA . GLY D 41 ? 0.8710 0.5656 0.4330 0.0806 -0.1511 -0.0046 40 GLY D CA 4742 C C . GLY D 41 ? 0.8401 0.5523 0.4110 0.0744 -0.1231 -0.0086 40 GLY D C 4743 O O . GLY D 41 ? 0.8963 0.5716 0.4047 0.0862 -0.1139 -0.0100 40 GLY D O 4744 N N . HIS D 42 ? 0.7565 0.5205 0.4006 0.0577 -0.1101 -0.0104 41 HIS D N 4745 C CA . HIS D 42 ? 0.7272 0.5103 0.3871 0.0510 -0.0869 -0.0140 41 HIS D CA 4746 C C . HIS D 42 ? 0.6564 0.4726 0.3724 0.0377 -0.1018 -0.0247 41 HIS D C 4747 O O . HIS D 42 ? 0.6259 0.4638 0.3878 0.0304 -0.1176 -0.0261 41 HIS D O 4748 C CB . HIS D 42 ? 0.6973 0.5056 0.3861 0.0454 -0.0500 -0.0032 41 HIS D CB 4749 C CG . HIS D 42 ? 0.7944 0.5715 0.4363 0.0580 -0.0257 0.0101 41 HIS D CG 4750 N ND1 . HIS D 42 ? 0.8397 0.6062 0.4737 0.0625 -0.0246 0.0211 41 HIS D ND1 4751 C CD2 . HIS D 42 ? 0.8670 0.6165 0.4651 0.0689 0.0000 0.0154 41 HIS D CD2 4752 C CE1 . HIS D 42 ? 0.9201 0.6541 0.5081 0.0750 0.0026 0.0340 41 HIS D CE1 4753 N NE2 . HIS D 42 ? 0.9393 0.6625 0.5054 0.0795 0.0195 0.0309 41 HIS D NE2 4754 N N . GLY D 43 ? 0.6287 0.4485 0.3440 0.0350 -0.0929 -0.0306 42 GLY D N 4755 C CA . GLY D 43 ? 0.5698 0.4213 0.3395 0.0221 -0.0990 -0.0373 42 GLY D CA 4756 C C . GLY D 43 ? 0.5170 0.4040 0.3289 0.0128 -0.0740 -0.0308 42 GLY D C 4757 O O . GLY D 43 ? 0.5205 0.4059 0.3210 0.0160 -0.0540 -0.0227 42 GLY D O 4758 N N . LEU D 44 ? 0.4637 0.3783 0.3228 0.0024 -0.0750 -0.0338 43 LEU D N 4759 C CA . LEU D 44 ? 0.4273 0.3661 0.3133 -0.0040 -0.0539 -0.0302 43 LEU D CA 4760 C C . LEU D 44 ? 0.4306 0.3634 0.2968 -0.0013 -0.0356 -0.0283 43 LEU D C 4761 O O . LEU D 44 ? 0.4481 0.3660 0.2914 0.0023 -0.0367 -0.0323 43 LEU D O 4762 C CB . LEU D 44 ? 0.3955 0.3538 0.3186 -0.0124 -0.0549 -0.0336 43 LEU D CB 4763 C CG . LEU D 44 ? 0.3838 0.3576 0.3429 -0.0157 -0.0568 -0.0314 43 LEU D CG 4764 C CD1 . LEU D 44 ? 0.3726 0.3394 0.3431 -0.0136 -0.0795 -0.0328 43 LEU D CD1 4765 C CD2 . LEU D 44 ? 0.3348 0.3225 0.3210 -0.0216 -0.0470 -0.0318 43 LEU D CD2 4766 N N . ARG D 45 ? 0.4127 0.3555 0.2919 -0.0026 -0.0200 -0.0225 44 ARG D N 4767 C CA . ARG D 45 ? 0.4217 0.3623 0.2987 -0.0004 -0.0023 -0.0191 44 ARG D CA 4768 C C . ARG D 45 ? 0.3812 0.3418 0.2933 -0.0076 0.0015 -0.0202 44 ARG D C 4769 O O . ARG D 45 ? 0.3721 0.3425 0.3018 -0.0111 -0.0019 -0.0199 44 ARG D O 4770 C CB . ARG D 45 ? 0.4486 0.3755 0.3111 0.0065 0.0118 -0.0094 44 ARG D CB 4771 C CG . ARG D 45 ? 0.5159 0.4118 0.3276 0.0174 0.0094 -0.0079 44 ARG D CG 4772 C CD . ARG D 45 ? 0.5904 0.4680 0.3826 0.0259 0.0272 0.0045 44 ARG D CD 4773 N NE . ARG D 45 ? 0.6290 0.5157 0.4393 0.0223 0.0191 0.0086 44 ARG D NE 4774 C CZ . ARG D 45 ? 0.6645 0.5410 0.4718 0.0268 0.0334 0.0207 44 ARG D CZ 4775 N NH1 . ARG D 45 ? 0.7123 0.5686 0.4996 0.0355 0.0598 0.0313 44 ARG D NH1 4776 N NH2 . ARG D 45 ? 0.6637 0.5486 0.4896 0.0234 0.0238 0.0231 44 ARG D NH2 4777 N N . LEU D 46 ? 0.3643 0.3267 0.2829 -0.0082 0.0069 -0.0221 45 LEU D N 4778 C CA . LEU D 46 ? 0.3507 0.3250 0.2949 -0.0132 0.0047 -0.0243 45 LEU D CA 4779 C C . LEU D 46 ? 0.3460 0.3241 0.3163 -0.0132 0.0113 -0.0194 45 LEU D C 4780 O O . LEU D 46 ? 0.3488 0.3229 0.3275 -0.0095 0.0248 -0.0135 45 LEU D O 4781 C CB . LEU D 46 ? 0.3375 0.3103 0.2811 -0.0134 0.0040 -0.0280 45 LEU D CB 4782 C CG . LEU D 46 ? 0.3394 0.3176 0.3008 -0.0167 -0.0023 -0.0305 45 LEU D CG 4783 C CD1 . LEU D 46 ? 0.3018 0.2808 0.2562 -0.0198 -0.0108 -0.0335 45 LEU D CD1 4784 C CD2 . LEU D 46 ? 0.3796 0.3541 0.3423 -0.0151 -0.0010 -0.0322 45 LEU D CD2 4785 N N . ILE D 47 ? 0.3376 0.3208 0.3222 -0.0166 0.0024 -0.0218 46 ILE D N 4786 C CA . ILE D 47 ? 0.3252 0.3100 0.3397 -0.0174 0.0020 -0.0191 46 ILE D CA 4787 C C . ILE D 47 ? 0.3247 0.3097 0.3607 -0.0188 -0.0082 -0.0235 46 ILE D C 4788 O O . ILE D 47 ? 0.3317 0.3190 0.3999 -0.0184 -0.0038 -0.0195 46 ILE D O 4789 C CB . ILE D 47 ? 0.3223 0.3063 0.3355 -0.0186 -0.0057 -0.0215 46 ILE D CB 4790 C CG1 . ILE D 47 ? 0.3199 0.3030 0.3149 -0.0167 0.0001 -0.0172 46 ILE D CG1 4791 C CG2 . ILE D 47 ? 0.3078 0.2903 0.3557 -0.0198 -0.0099 -0.0199 46 ILE D CG2 4792 C CD1 . ILE D 47 ? 0.2798 0.2629 0.2749 -0.0168 -0.0061 -0.0197 46 ILE D CD1 4793 N N . HIS D 48 ? 0.3273 0.3073 0.3459 -0.0194 -0.0215 -0.0309 47 HIS D N 4794 C CA . HIS D 48 ? 0.3294 0.3022 0.3556 -0.0188 -0.0363 -0.0358 47 HIS D CA 4795 C C . HIS D 48 ? 0.3374 0.3026 0.3282 -0.0175 -0.0393 -0.0396 47 HIS D C 4796 O O . HIS D 48 ? 0.3427 0.3080 0.3110 -0.0176 -0.0325 -0.0395 47 HIS D O 4797 C CB . HIS D 48 ? 0.3437 0.3055 0.3791 -0.0179 -0.0538 -0.0412 47 HIS D CB 4798 C CG . HIS D 48 ? 0.3430 0.3101 0.4259 -0.0198 -0.0552 -0.0374 47 HIS D CG 4799 N ND1 . HIS D 48 ? 0.3492 0.3220 0.4784 -0.0208 -0.0568 -0.0337 47 HIS D ND1 4800 C CD2 . HIS D 48 ? 0.3152 0.2818 0.4125 -0.0209 -0.0550 -0.0361 47 HIS D CD2 4801 C CE1 . HIS D 48 ? 0.3195 0.2959 0.4931 -0.0228 -0.0555 -0.0292 47 HIS D CE1 4802 N NE2 . HIS D 48 ? 0.3221 0.2940 0.4749 -0.0231 -0.0553 -0.0307 47 HIS D NE2 4803 N N . TYR D 49 ? 0.3422 0.2995 0.3325 -0.0160 -0.0494 -0.0418 48 TYR D N 4804 C CA . TYR D 49 ? 0.3573 0.3023 0.3135 -0.0139 -0.0517 -0.0436 48 TYR D CA 4805 C C . TYR D 49 ? 0.3874 0.3111 0.3332 -0.0092 -0.0722 -0.0479 48 TYR D C 4806 O O . TYR D 49 ? 0.3912 0.3113 0.3634 -0.0083 -0.0890 -0.0509 48 TYR D O 4807 C CB . TYR D 49 ? 0.3438 0.2971 0.2977 -0.0160 -0.0402 -0.0402 48 TYR D CB 4808 C CG . TYR D 49 ? 0.3323 0.2906 0.3116 -0.0157 -0.0416 -0.0393 48 TYR D CG 4809 C CD1 . TYR D 49 ? 0.3398 0.2884 0.3160 -0.0135 -0.0509 -0.0402 48 TYR D CD1 4810 C CD2 . TYR D 49 ? 0.2833 0.2535 0.2886 -0.0161 -0.0308 -0.0363 48 TYR D CD2 4811 C CE1 . TYR D 49 ? 0.3426 0.2966 0.3484 -0.0123 -0.0506 -0.0391 48 TYR D CE1 4812 C CE2 . TYR D 49 ? 0.2998 0.2734 0.3311 -0.0140 -0.0262 -0.0343 48 TYR D CE2 4813 C CZ . TYR D 49 ? 0.3021 0.2692 0.3367 -0.0124 -0.0365 -0.0362 48 TYR D CZ 4814 O OH . TYR D 49 ? 0.3053 0.2763 0.3713 -0.0094 -0.0305 -0.0342 48 TYR D OH 4815 N N . SER D 50 ? 0.4094 0.3154 0.3174 -0.0055 -0.0723 -0.0476 49 SER D N 4816 C CA . SER D 50 ? 0.4449 0.3213 0.3283 0.0016 -0.0940 -0.0515 49 SER D CA 4817 C C . SER D 50 ? 0.4656 0.3281 0.3190 0.0045 -0.0891 -0.0470 49 SER D C 4818 O O . SER D 50 ? 0.4732 0.3371 0.3075 0.0036 -0.0688 -0.0420 49 SER D O 4819 C CB . SER D 50 ? 0.4785 0.3285 0.3253 0.0086 -0.1022 -0.0570 49 SER D CB 4820 O OG . SER D 50 ? 0.5246 0.3357 0.3305 0.0184 -0.1243 -0.0612 49 SER D OG 4821 N N . TYR D 51 ? 0.4818 0.3311 0.3382 0.0079 -0.1085 -0.0481 50 TYR D N 4822 C CA . TYR D 51 ? 0.5088 0.3400 0.3364 0.0117 -0.1074 -0.0432 50 TYR D CA 4823 C C . TYR D 51 ? 0.5779 0.3616 0.3412 0.0239 -0.1211 -0.0441 50 TYR D C 4824 O O . TYR D 51 ? 0.6059 0.3659 0.3363 0.0294 -0.1212 -0.0385 50 TYR D O 4825 C CB . TYR D 51 ? 0.4926 0.3340 0.3597 0.0101 -0.1208 -0.0433 50 TYR D CB 4826 C CG . TYR D 51 ? 0.4463 0.3217 0.3549 0.0019 -0.1007 -0.0405 50 TYR D CG 4827 C CD1 . TYR D 51 ? 0.4186 0.3015 0.3140 -0.0018 -0.0789 -0.0360 50 TYR D CD1 4828 C CD2 . TYR D 51 ? 0.4220 0.3176 0.3830 -0.0003 -0.1041 -0.0423 50 TYR D CD2 4829 C CE1 . TYR D 51 ? 0.4141 0.3198 0.3380 -0.0071 -0.0651 -0.0357 50 TYR D CE1 4830 C CE2 . TYR D 51 ? 0.4051 0.3230 0.3913 -0.0044 -0.0840 -0.0401 50 TYR D CE2 4831 C CZ . TYR D 51 ? 0.4086 0.3291 0.3712 -0.0073 -0.0670 -0.0380 50 TYR D CZ 4832 O OH . TYR D 51 ? 0.3926 0.3270 0.3710 -0.0093 -0.0517 -0.0379 50 TYR D OH 4833 N N . GLY D 52 ? 0.6081 0.3733 0.3489 0.0295 -0.1323 -0.0508 51 GLY D N 4834 C CA . GLY D 52 ? 0.6884 0.4002 0.3555 0.0441 -0.1440 -0.0529 51 GLY D CA 4835 C C . GLY D 52 ? 0.7251 0.4151 0.3824 0.0503 -0.1727 -0.0650 51 GLY D C 4836 O O . GLY D 52 ? 0.6882 0.4076 0.4051 0.0419 -0.1836 -0.0705 51 GLY D O 4837 N N . ALA D 53 ? 0.8105 0.4444 0.3898 0.0661 -0.1843 -0.0689 52 ALA D N 4838 C CA . ALA D 53 ? 0.8578 0.4605 0.4141 0.0745 -0.2124 -0.0823 52 ALA D CA 4839 C C . ALA D 53 ? 0.8569 0.4678 0.4725 0.0701 -0.2578 -0.0919 52 ALA D C 4840 O O . ALA D 53 ? 0.8695 0.4728 0.4980 0.0715 -0.2821 -0.0909 52 ALA D O 4841 C CB . ALA D 53 ? 0.9625 0.4918 0.4117 0.0960 -0.2205 -0.0852 52 ALA D CB 4842 N N . GLY D 54 ? 0.8441 0.4688 0.4998 0.0652 -0.2691 -0.1005 53 GLY D N 4843 C CA . GLY D 54 ? 0.8468 0.4793 0.5709 0.0606 -0.3104 -0.1088 53 GLY D CA 4844 C C . GLY D 54 ? 0.7776 0.4693 0.5989 0.0449 -0.2980 -0.1001 53 GLY D C 4845 O O . GLY D 54 ? 0.7843 0.4854 0.6747 0.0410 -0.3277 -0.1042 53 GLY D O 4846 N N . SER D 55 ? 0.7193 0.4467 0.5466 0.0372 -0.2549 -0.0885 54 SER D N 4847 C CA . SER D 55 ? 0.6521 0.4303 0.5557 0.0247 -0.2355 -0.0801 54 SER D CA 4848 C C . SER D 55 ? 0.5946 0.4076 0.5182 0.0159 -0.2003 -0.0754 54 SER D C 4849 O O . SER D 55 ? 0.6007 0.4092 0.4768 0.0175 -0.1775 -0.0733 54 SER D O 4850 C CB . SER D 55 ? 0.6428 0.4267 0.5309 0.0247 -0.2194 -0.0716 54 SER D CB 4851 O OG . SER D 55 ? 0.6359 0.4612 0.5521 0.0149 -0.1810 -0.0632 54 SER D OG 4852 N N . THR D 56 ? 0.5458 0.3914 0.5414 0.0075 -0.1952 -0.0726 55 THR D N 4853 C CA . THR D 56 ? 0.5065 0.3842 0.5200 0.0000 -0.1610 -0.0659 55 THR D CA 4854 C C . THR D 56 ? 0.4633 0.3719 0.5410 -0.0060 -0.1472 -0.0583 55 THR D C 4855 O O . THR D 56 ? 0.4539 0.3642 0.5857 -0.0060 -0.1655 -0.0588 55 THR D O 4856 C CB . THR D 56 ? 0.5056 0.3827 0.5292 -0.0014 -0.1631 -0.0694 55 THR D CB 4857 O OG1 . THR D 56 ? 0.5615 0.4321 0.6373 -0.0016 -0.1926 -0.0742 55 THR D OG1 4858 C CG2 . THR D 56 ? 0.5652 0.4112 0.5191 0.0062 -0.1675 -0.0764 55 THR D CG2 4859 N N . GLU D 57 ? 0.4143 0.3443 0.4862 -0.0098 -0.1152 -0.0513 56 GLU D N 4860 C CA . GLU D 57 ? 0.3860 0.3386 0.5011 -0.0125 -0.0952 -0.0438 56 GLU D CA 4861 C C . GLU D 57 ? 0.3673 0.3355 0.4886 -0.0157 -0.0696 -0.0378 56 GLU D C 4862 O O . GLU D 57 ? 0.3601 0.3268 0.4408 -0.0164 -0.0610 -0.0386 56 GLU D O 4863 C CB . GLU D 57 ? 0.3804 0.3338 0.4685 -0.0112 -0.0841 -0.0421 56 GLU D CB 4864 C CG . GLU D 57 ? 0.3900 0.3276 0.4751 -0.0073 -0.1067 -0.0454 56 GLU D CG 4865 C CD . GLU D 57 ? 0.4093 0.3506 0.5595 -0.0061 -0.1234 -0.0452 56 GLU D CD 4866 O OE1 . GLU D 57 ? 0.4103 0.3711 0.6141 -0.0083 -0.1064 -0.0396 56 GLU D OE1 4867 O OE2 . GLU D 57 ? 0.4432 0.3653 0.5929 -0.0020 -0.1538 -0.0500 56 GLU D OE2 4868 N N . LYS D 58 ? 0.3566 0.3375 0.5301 -0.0166 -0.0565 -0.0308 57 LYS D N 4869 C CA . LYS D 58 ? 0.3507 0.3408 0.5240 -0.0173 -0.0291 -0.0227 57 LYS D CA 4870 C C . LYS D 58 ? 0.3479 0.3385 0.4772 -0.0149 -0.0097 -0.0211 57 LYS D C 4871 O O . LYS D 58 ? 0.3534 0.3434 0.4821 -0.0125 -0.0069 -0.0218 57 LYS D O 4872 C CB . LYS D 58 ? 0.3442 0.3433 0.5820 -0.0167 -0.0137 -0.0130 57 LYS D CB 4873 C CG . LYS D 58 ? 0.3825 0.3811 0.6730 -0.0201 -0.0336 -0.0140 57 LYS D CG 4874 C CD . LYS D 58 ? 0.4281 0.4371 0.7949 -0.0199 -0.0137 -0.0014 57 LYS D CD 4875 C CE . LYS D 58 ? 0.4638 0.4720 0.8806 -0.0245 -0.0277 -0.0002 57 LYS D CE 4876 N NZ . LYS D 58 ? 0.5064 0.5255 1.0175 -0.0249 -0.0114 0.0128 57 LYS D NZ 4877 N N . GLY D 59 ? 0.3409 0.3303 0.4355 -0.0152 0.0000 -0.0197 58 GLY D N 4878 C CA . GLY D 59 ? 0.3488 0.3347 0.4037 -0.0124 0.0142 -0.0187 58 GLY D CA 4879 C C . GLY D 59 ? 0.3633 0.3456 0.4228 -0.0071 0.0392 -0.0093 58 GLY D C 4880 O O . GLY D 59 ? 0.3640 0.3495 0.4661 -0.0050 0.0514 -0.0025 58 GLY D O 4881 N N . ASP D 60 ? 0.3729 0.3457 0.3902 -0.0036 0.0472 -0.0080 59 ASP D N 4882 C CA . ASP D 60 ? 0.4137 0.3727 0.4172 0.0048 0.0726 0.0013 59 ASP D CA 4883 C C . ASP D 60 ? 0.4091 0.3683 0.4317 0.0047 0.0826 0.0114 59 ASP D C 4884 O O . ASP D 60 ? 0.4267 0.3778 0.4626 0.0110 0.1083 0.0229 59 ASP D O 4885 C CB . ASP D 60 ? 0.4431 0.3831 0.3857 0.0108 0.0718 -0.0023 59 ASP D CB 4886 C CG . ASP D 60 ? 0.4795 0.4167 0.4067 0.0110 0.0624 -0.0119 59 ASP D CG 4887 O OD1 . ASP D 60 ? 0.5012 0.4432 0.4545 0.0119 0.0694 -0.0120 59 ASP D OD1 4888 O OD2 . ASP D 60 ? 0.5205 0.4505 0.4152 0.0101 0.0471 -0.0191 59 ASP D OD2 4889 N N . ILE D 61 ? 0.3912 0.3578 0.4160 -0.0015 0.0649 0.0079 60 ILE D N 4890 C CA . ILE D 61 ? 0.3875 0.3529 0.4300 -0.0019 0.0720 0.0169 60 ILE D CA 4891 C C . ILE D 61 ? 0.3646 0.3434 0.4503 -0.0100 0.0530 0.0121 60 ILE D C 4892 O O . ILE D 61 ? 0.3639 0.3430 0.4396 -0.0126 0.0407 0.0087 60 ILE D O 4893 C CB . ILE D 61 ? 0.4018 0.3534 0.3961 0.0023 0.0720 0.0193 60 ILE D CB 4894 C CG1 . ILE D 61 ? 0.3833 0.3404 0.3532 -0.0017 0.0478 0.0072 60 ILE D CG1 4895 C CG2 . ILE D 61 ? 0.4373 0.3647 0.3856 0.0138 0.0920 0.0260 60 ILE D CG2 4896 C CD1 . ILE D 61 ? 0.3404 0.2912 0.2895 -0.0003 0.0403 0.0090 60 ILE D CD1 4897 N N . PRO D 62 ? 0.3501 0.3367 0.4839 -0.0128 0.0489 0.0111 61 PRO D N 4898 C CA . PRO D 62 ? 0.3371 0.3286 0.5044 -0.0187 0.0240 0.0035 61 PRO D CA 4899 C C . PRO D 62 ? 0.3418 0.3325 0.5483 -0.0210 0.0256 0.0103 61 PRO D C 4900 O O . PRO D 62 ? 0.3386 0.3268 0.5533 -0.0244 0.0030 0.0019 61 PRO D O 4901 C CB . PRO D 62 ? 0.3361 0.3326 0.5455 -0.0193 0.0170 0.0014 61 PRO D CB 4902 C CG . PRO D 62 ? 0.3309 0.3284 0.5543 -0.0142 0.0484 0.0134 61 PRO D CG 4903 C CD . PRO D 62 ? 0.3556 0.3435 0.5131 -0.0092 0.0645 0.0157 61 PRO D CD 4904 N N . ASP D 63 ? 0.3585 0.3472 0.5854 -0.0181 0.0533 0.0255 62 ASP D N 4905 C CA . ASP D 63 ? 0.3659 0.3540 0.6457 -0.0209 0.0576 0.0348 62 ASP D CA 4906 C C . ASP D 63 ? 0.3603 0.3430 0.6185 -0.0233 0.0417 0.0295 62 ASP D C 4907 O O . ASP D 63 ? 0.3534 0.3307 0.5573 -0.0199 0.0464 0.0296 62 ASP D O 4908 C CB . ASP D 63 ? 0.3914 0.3734 0.6865 -0.0152 0.0974 0.0553 62 ASP D CB 4909 C CG . ASP D 63 ? 0.4370 0.4241 0.7747 -0.0122 0.1173 0.0625 62 ASP D CG 4910 O OD1 . ASP D 63 ? 0.4960 0.4738 0.8386 -0.0048 0.1559 0.0800 62 ASP D OD1 4911 O OD2 . ASP D 63 ? 0.4794 0.4770 0.8438 -0.0158 0.0960 0.0514 62 ASP D OD2 4912 N N . GLY D 64 ? 0.3624 0.3449 0.6671 -0.0284 0.0207 0.0243 63 GLY D N 4913 C CA . GLY D 64 ? 0.3570 0.3317 0.6474 -0.0297 0.0048 0.0180 63 GLY D CA 4914 C C . GLY D 64 ? 0.3521 0.3217 0.6001 -0.0291 -0.0227 -0.0010 63 GLY D C 4915 O O . GLY D 64 ? 0.3594 0.3204 0.5896 -0.0284 -0.0346 -0.0081 63 GLY D O 4916 N N . TYR D 65 ? 0.3495 0.3219 0.5800 -0.0283 -0.0302 -0.0085 64 TYR D N 4917 C CA . TYR D 65 ? 0.3565 0.3199 0.5419 -0.0260 -0.0509 -0.0239 64 TYR D CA 4918 C C . TYR D 65 ? 0.3755 0.3327 0.5804 -0.0263 -0.0733 -0.0324 64 TYR D C 4919 O O . TYR D 65 ? 0.3620 0.3290 0.5983 -0.0277 -0.0666 -0.0263 64 TYR D O 4920 C CB . TYR D 65 ? 0.3452 0.3145 0.4777 -0.0235 -0.0373 -0.0235 64 TYR D CB 4921 C CG . TYR D 65 ? 0.3173 0.2907 0.4284 -0.0221 -0.0194 -0.0154 64 TYR D CG 4922 C CD1 . TYR D 65 ? 0.3526 0.3209 0.4408 -0.0202 -0.0242 -0.0200 64 TYR D CD1 4923 C CD2 . TYR D 65 ? 0.3181 0.2964 0.4285 -0.0208 0.0015 -0.0033 64 TYR D CD2 4924 C CE1 . TYR D 65 ? 0.3364 0.3072 0.4087 -0.0183 -0.0125 -0.0127 64 TYR D CE1 4925 C CE2 . TYR D 65 ? 0.3222 0.2976 0.4051 -0.0177 0.0127 0.0035 64 TYR D CE2 4926 C CZ . TYR D 65 ? 0.3376 0.3106 0.4054 -0.0171 0.0034 -0.0012 64 TYR D CZ 4927 O OH . TYR D 65 ? 0.3461 0.3152 0.3918 -0.0135 0.0096 0.0052 64 TYR D OH 4928 N N . LYS D 66 ? 0.4083 0.3454 0.5917 -0.0233 -0.1004 -0.0465 65 LYS D N 4929 C CA . LYS D 66 ? 0.4357 0.3583 0.6128 -0.0206 -0.1262 -0.0566 65 LYS D CA 4930 C C . LYS D 66 ? 0.4517 0.3618 0.5541 -0.0145 -0.1247 -0.0636 65 LYS D C 4931 O O . LYS D 66 ? 0.4660 0.3724 0.5322 -0.0119 -0.1136 -0.0649 65 LYS D O 4932 C CB . LYS D 66 ? 0.4543 0.3538 0.6598 -0.0193 -0.1621 -0.0676 65 LYS D CB 4933 N N . ALA D 67 ? 0.4580 0.3617 0.5423 -0.0120 -0.1334 -0.0665 66 ALA D N 4934 C CA . ALA D 67 ? 0.4756 0.3629 0.4921 -0.0056 -0.1305 -0.0713 66 ALA D CA 4935 C C . ALA D 67 ? 0.5207 0.3694 0.5049 0.0028 -0.1630 -0.0837 66 ALA D C 4936 O O . ALA D 67 ? 0.5415 0.3816 0.5629 0.0023 -0.1910 -0.0883 66 ALA D O 4937 C CB . ALA D 67 ? 0.4524 0.3569 0.4605 -0.0079 -0.1121 -0.0638 66 ALA D CB 4938 N N . SER D 68 ? 0.5416 0.3638 0.4578 0.0118 -0.1598 -0.0887 67 SER D N 4939 C CA . SER D 68 ? 0.5964 0.3721 0.4630 0.0234 -0.1889 -0.1000 67 SER D CA 4940 C C . SER D 68 ? 0.6146 0.3726 0.4141 0.0313 -0.1716 -0.0967 67 SER D C 4941 O O . SER D 68 ? 0.6103 0.3757 0.3859 0.0323 -0.1409 -0.0914 67 SER D O 4942 C CB . SER D 68 ? 0.6310 0.3744 0.4739 0.0310 -0.2054 -0.1119 67 SER D CB 4943 O OG . SER D 68 ? 0.7262 0.4142 0.5016 0.0458 -0.2325 -0.1238 67 SER D OG 4944 N N . ARG D 69 ? 0.6395 0.3742 0.4147 0.0368 -0.1908 -0.0985 68 ARG D N 4945 C CA . ARG D 69 ? 0.6753 0.3862 0.3840 0.0456 -0.1745 -0.0939 68 ARG D CA 4946 C C . ARG D 69 ? 0.7577 0.4042 0.3926 0.0629 -0.2044 -0.1043 68 ARG D C 4947 O O . ARG D 69 ? 0.7901 0.4165 0.4108 0.0671 -0.2273 -0.1047 68 ARG D O 4948 C CB . ARG D 69 ? 0.6391 0.3777 0.3749 0.0379 -0.1638 -0.0836 68 ARG D CB 4949 C CG . ARG D 69 ? 0.6645 0.3855 0.3449 0.0444 -0.1407 -0.0755 68 ARG D CG 4950 C CD . ARG D 69 ? 0.6372 0.3859 0.3254 0.0389 -0.0998 -0.0665 68 ARG D CD 4951 N NE . ARG D 69 ? 0.6649 0.3945 0.3085 0.0452 -0.0768 -0.0573 68 ARG D NE 4952 C CZ . ARG D 69 ? 0.6462 0.3912 0.3056 0.0395 -0.0676 -0.0486 68 ARG D CZ 4953 N NH1 . ARG D 69 ? 0.6115 0.3901 0.3252 0.0285 -0.0786 -0.0489 68 ARG D NH1 4954 N NH2 . ARG D 69 ? 0.6510 0.3758 0.2728 0.0455 -0.0451 -0.0390 68 ARG D NH2 4955 N N . PRO D 70 ? 0.8019 0.4112 0.3854 0.0745 -0.2056 -0.1131 69 PRO D N 4956 C CA . PRO D 70 ? 0.8987 0.4362 0.4003 0.0940 -0.2378 -0.1253 69 PRO D CA 4957 C C . PRO D 70 ? 0.9597 0.4548 0.3748 0.1086 -0.2215 -0.1180 69 PRO D C 4958 O O . PRO D 70 ? 1.0483 0.4815 0.3936 0.1251 -0.2531 -0.1261 69 PRO D O 4959 C CB . PRO D 70 ? 0.9310 0.4427 0.3996 0.1030 -0.2329 -0.1353 69 PRO D CB 4960 C CG . PRO D 70 ? 0.8669 0.4278 0.3715 0.0929 -0.1842 -0.1235 69 PRO D CG 4961 C CD . PRO D 70 ? 0.7789 0.4055 0.3721 0.0723 -0.1778 -0.1126 69 PRO D CD 4962 N N . SER D 71 ? 0.9246 0.4503 0.3461 0.1030 -0.1743 -0.1023 70 SER D N 4963 C CA . SER D 71 ? 0.9766 0.4660 0.3252 0.1157 -0.1491 -0.0916 70 SER D CA 4964 C C . SER D 71 ? 0.9051 0.4493 0.3074 0.1008 -0.1106 -0.0747 70 SER D C 4965 O O . SER D 71 ? 0.8302 0.4339 0.3122 0.0834 -0.1010 -0.0728 70 SER D O 4966 C CB . SER D 71 ? 1.0441 0.4861 0.3140 0.1342 -0.1210 -0.0926 70 SER D CB 4967 O OG . SER D 71 ? 0.9886 0.4785 0.3123 0.1237 -0.0847 -0.0875 70 SER D OG 4968 N N . GLN D 72 ? 0.9378 0.4576 0.2942 0.1084 -0.0897 -0.0624 71 GLN D N 4969 C CA . GLN D 72 ? 0.8944 0.4556 0.2936 0.0967 -0.0520 -0.0460 71 GLN D CA 4970 C C . GLN D 72 ? 0.8569 0.4521 0.2925 0.0905 -0.0130 -0.0408 71 GLN D C 4971 O O . GLN D 72 ? 0.7842 0.4345 0.2926 0.0737 -0.0014 -0.0356 71 GLN D O 4972 C CB . GLN D 72 ? 0.9627 0.4804 0.2979 0.1090 -0.0333 -0.0326 71 GLN D CB 4973 C CG . GLN D 72 ? 0.9288 0.4862 0.3145 0.0962 0.0000 -0.0157 71 GLN D CG 4974 C CD . GLN D 72 ? 0.9027 0.4929 0.3412 0.0825 -0.0256 -0.0162 71 GLN D CD 4975 O OE1 . GLN D 72 ? 0.8574 0.4686 0.3328 0.0754 -0.0598 -0.0282 71 GLN D OE1 4976 N NE2 . GLN D 72 ? 0.8536 0.4467 0.2990 0.0793 -0.0067 -0.0023 71 GLN D NE2 4977 N N A GLU D 73 ? 0.9086 0.4681 0.2931 0.1052 0.0050 -0.0429 72 GLU D N 4978 N N B GLU D 73 ? 0.9142 0.4722 0.2968 0.1055 0.0037 -0.0434 72 GLU D N 4979 C CA A GLU D 73 ? 0.8776 0.4666 0.2996 0.1012 0.0421 -0.0375 72 GLU D CA 4980 C CA B GLU D 73 ? 0.8950 0.4764 0.3069 0.1036 0.0409 -0.0386 72 GLU D CA 4981 C C A GLU D 73 ? 0.8072 0.4464 0.3009 0.0863 0.0268 -0.0467 72 GLU D C 4982 C C B GLU D 73 ? 0.8174 0.4527 0.3058 0.0877 0.0275 -0.0468 72 GLU D C 4983 O O A GLU D 73 ? 0.7508 0.4349 0.3052 0.0750 0.0485 -0.0398 72 GLU D O 4984 O O B GLU D 73 ? 0.7631 0.4420 0.3104 0.0768 0.0509 -0.0393 72 GLU D O 4985 C CB A GLU D 73 ? 0.9569 0.4909 0.3044 0.1231 0.0689 -0.0372 72 GLU D CB 4986 C CB B GLU D 73 ? 0.9844 0.5045 0.3134 0.1267 0.0572 -0.0422 72 GLU D CB 4987 C CG A GLU D 73 ? 1.0387 0.5190 0.3111 0.1401 0.0960 -0.0239 72 GLU D CG 4988 C CG B GLU D 73 ? 1.0300 0.5448 0.3539 0.1347 0.1143 -0.0268 72 GLU D CG 4989 C CD A GLU D 73 ? 1.0944 0.5284 0.3021 0.1489 0.0568 -0.0299 72 GLU D CD 4990 C CD B GLU D 73 ? 1.1441 0.5933 0.3805 0.1603 0.1330 -0.0315 72 GLU D CD 4991 O OE1 A GLU D 73 ? 1.1221 0.5245 0.2911 0.1569 0.0160 -0.0475 72 GLU D OE1 4992 O OE1 B GLU D 73 ? 1.2359 0.6257 0.3887 0.1761 0.1022 -0.0442 72 GLU D OE1 4993 O OE2 A GLU D 73 ? 1.1029 0.5306 0.3015 0.1480 0.0646 -0.0171 72 GLU D OE2 4994 O OE2 B GLU D 73 ? 1.1535 0.6074 0.4049 0.1659 0.1775 -0.0230 72 GLU D OE2 4995 N N . ASN D 74 ? 0.8132 0.4420 0.3013 0.0870 -0.0115 -0.0614 73 ASN D N 4996 C CA . ASN D 74 ? 0.7627 0.4244 0.3033 0.0778 -0.0216 -0.0694 73 ASN D CA 4997 C C . ASN D 74 ? 0.6970 0.3995 0.3032 0.0614 -0.0508 -0.0731 73 ASN D C 4998 O O . ASN D 74 ? 0.7154 0.4026 0.3144 0.0622 -0.0825 -0.0791 73 ASN D O 4999 C CB . ASN D 74 ? 0.8146 0.4293 0.3030 0.0931 -0.0359 -0.0831 73 ASN D CB 5000 C CG . ASN D 74 ? 0.9108 0.4871 0.3393 0.1110 0.0024 -0.0789 73 ASN D CG 5001 O OD1 . ASN D 74 ? 0.8814 0.4880 0.3462 0.1068 0.0399 -0.0681 73 ASN D OD1 5002 N ND2 . ASN D 74 ? 0.9751 0.4806 0.3112 0.1327 -0.0073 -0.0876 73 ASN D ND2 5003 N N . PHE D 75 ? 0.6274 0.3779 0.2965 0.0483 -0.0396 -0.0693 74 PHE D N 5004 C CA . PHE D 75 ? 0.5793 0.3672 0.3092 0.0344 -0.0579 -0.0703 74 PHE D CA 5005 C C . PHE D 75 ? 0.5637 0.3709 0.3280 0.0301 -0.0557 -0.0730 74 PHE D C 5006 O O . PHE D 75 ? 0.5449 0.3714 0.3241 0.0279 -0.0320 -0.0671 74 PHE D O 5007 C CB . PHE D 75 ? 0.5371 0.3608 0.3017 0.0236 -0.0424 -0.0596 74 PHE D CB 5008 C CG . PHE D 75 ? 0.4931 0.3462 0.3075 0.0128 -0.0571 -0.0594 74 PHE D CG 5009 C CD1 . PHE D 75 ? 0.4886 0.3322 0.3155 0.0132 -0.0846 -0.0660 74 PHE D CD1 5010 C CD2 . PHE D 75 ? 0.4526 0.3392 0.3019 0.0035 -0.0428 -0.0521 74 PHE D CD2 5011 C CE1 . PHE D 75 ? 0.4797 0.3498 0.3578 0.0045 -0.0912 -0.0635 74 PHE D CE1 5012 C CE2 . PHE D 75 ? 0.4409 0.3489 0.3281 -0.0035 -0.0504 -0.0510 74 PHE D CE2 5013 C CZ . PHE D 75 ? 0.4580 0.3592 0.3622 -0.0030 -0.0713 -0.0556 74 PHE D CZ 5014 N N . SER D 76 ? 0.5641 0.3643 0.3446 0.0294 -0.0819 -0.0815 75 SER D N 5015 C CA . SER D 76 ? 0.5531 0.3669 0.3658 0.0259 -0.0819 -0.0837 75 SER D CA 5016 C C . SER D 76 ? 0.5079 0.3587 0.3835 0.0130 -0.0856 -0.0778 75 SER D C 5017 O O . SER D 76 ? 0.4898 0.3472 0.3883 0.0084 -0.0990 -0.0768 75 SER D O 5018 C CB . SER D 76 ? 0.5996 0.3753 0.3896 0.0348 -0.1071 -0.0970 75 SER D CB 5019 O OG . SER D 76 ? 0.6995 0.4343 0.4208 0.0498 -0.0991 -0.1021 75 SER D OG 5020 N N . LEU D 77 ? 0.4905 0.3621 0.3926 0.0087 -0.0722 -0.0731 76 LEU D N 5021 C CA . LEU D 77 ? 0.4638 0.3621 0.4172 -0.0006 -0.0724 -0.0662 76 LEU D CA 5022 C C . LEU D 77 ? 0.4705 0.3591 0.4431 0.0002 -0.0834 -0.0708 76 LEU D C 5023 O O . LEU D 77 ? 0.4777 0.3593 0.4358 0.0047 -0.0761 -0.0730 76 LEU D O 5024 C CB . LEU D 77 ? 0.4253 0.3506 0.3892 -0.0053 -0.0503 -0.0559 76 LEU D CB 5025 C CG . LEU D 77 ? 0.4149 0.3609 0.4155 -0.0122 -0.0456 -0.0468 76 LEU D CG 5026 C CD1 . LEU D 77 ? 0.3883 0.3392 0.3985 -0.0148 -0.0487 -0.0451 76 LEU D CD1 5027 C CD2 . LEU D 77 ? 0.3793 0.3405 0.3770 -0.0135 -0.0298 -0.0392 76 LEU D CD2 5028 N N . ILE D 78 ? 0.4665 0.3540 0.4772 -0.0037 -0.1012 -0.0719 77 ILE D N 5029 C CA . ILE D 78 ? 0.4836 0.3568 0.5175 -0.0030 -0.1175 -0.0777 77 ILE D CA 5030 C C . ILE D 78 ? 0.4495 0.3471 0.5426 -0.0117 -0.1073 -0.0652 77 ILE D C 5031 O O . ILE D 78 ? 0.4272 0.3407 0.5559 -0.0171 -0.1034 -0.0570 77 ILE D O 5032 C CB . ILE D 78 ? 0.5301 0.3729 0.5632 0.0010 -0.1526 -0.0908 77 ILE D CB 5033 C CG1 . ILE D 78 ? 0.5834 0.3934 0.5428 0.0126 -0.1595 -0.1015 77 ILE D CG1 5034 C CG2 . ILE D 78 ? 0.5590 0.3830 0.6182 0.0018 -0.1735 -0.0987 77 ILE D CG2 5035 C CD1 . ILE D 78 ? 0.6671 0.4484 0.6153 0.0172 -0.1936 -0.1114 77 ILE D CD1 5036 N N . LEU D 79 ? 0.4413 0.3398 0.5417 -0.0115 -0.0995 -0.0623 78 LEU D N 5037 C CA . LEU D 79 ? 0.4206 0.3345 0.5700 -0.0177 -0.0881 -0.0490 78 LEU D CA 5038 C C . LEU D 79 ? 0.4424 0.3378 0.6276 -0.0182 -0.1102 -0.0560 78 LEU D C 5039 O O . LEU D 79 ? 0.4521 0.3314 0.6190 -0.0135 -0.1164 -0.0637 78 LEU D O 5040 C CB . LEU D 79 ? 0.3983 0.3227 0.5290 -0.0162 -0.0665 -0.0403 78 LEU D CB 5041 C CG . LEU D 79 ? 0.4084 0.3492 0.5099 -0.0158 -0.0478 -0.0331 78 LEU D CG 5042 C CD1 . LEU D 79 ? 0.3878 0.3239 0.4472 -0.0117 -0.0510 -0.0432 78 LEU D CD1 5043 C CD2 . LEU D 79 ? 0.3946 0.3413 0.4897 -0.0142 -0.0343 -0.0240 78 LEU D CD2 5044 N N . GLU D 80 ? 0.4493 0.3456 0.6892 -0.0234 -0.1233 -0.0539 79 GLU D N 5045 C CA . GLU D 80 ? 0.4857 0.3619 0.7689 -0.0246 -0.1516 -0.0624 79 GLU D CA 5046 C C . GLU D 80 ? 0.4774 0.3586 0.7999 -0.0284 -0.1382 -0.0510 79 GLU D C 5047 O O . GLU D 80 ? 0.4987 0.3589 0.8298 -0.0265 -0.1574 -0.0606 79 GLU D O 5048 C CB . GLU D 80 ? 0.4875 0.3651 0.8323 -0.0296 -0.1715 -0.0624 79 GLU D CB 5049 C CG . GLU D 80 ? 0.5418 0.4117 0.8500 -0.0254 -0.1880 -0.0728 79 GLU D CG 5050 C CD . GLU D 80 ? 0.6606 0.4895 0.9330 -0.0172 -0.2312 -0.0954 79 GLU D CD 5051 O OE1 . GLU D 80 ? 0.7194 0.5237 0.9732 -0.0127 -0.2446 -0.1058 79 GLU D OE1 5052 O OE2 . GLU D 80 ? 0.6920 0.5089 0.9502 -0.0139 -0.2527 -0.1030 79 GLU D OE2 5053 N N . LEU D 81 ? 0.4561 0.3606 0.7976 -0.0324 -0.1054 -0.0306 80 LEU D N 5054 C CA . LEU D 81 ? 0.4597 0.3662 0.8338 -0.0349 -0.0888 -0.0160 80 LEU D CA 5055 C C . LEU D 81 ? 0.4439 0.3633 0.7726 -0.0316 -0.0574 -0.0027 80 LEU D C 5056 O O . LEU D 81 ? 0.4396 0.3716 0.7763 -0.0328 -0.0322 0.0138 80 LEU D O 5057 C CB . LEU D 81 ? 0.4610 0.3740 0.9219 -0.0422 -0.0822 -0.0009 80 LEU D CB 5058 C CG . LEU D 81 ? 0.4910 0.3908 1.0172 -0.0466 -0.1182 -0.0126 80 LEU D CG 5059 C CD1 . LEU D 81 ? 0.5124 0.4274 1.1275 -0.0535 -0.1058 0.0040 80 LEU D CD1 5060 C CD2 . LEU D 81 ? 0.5057 0.3839 1.0550 -0.0471 -0.1395 -0.0203 80 LEU D CD2 5061 N N . ALA D 82 ? 0.4404 0.3533 0.7205 -0.0262 -0.0605 -0.0107 81 ALA D N 5062 C CA . ALA D 82 ? 0.4271 0.3495 0.6623 -0.0223 -0.0404 -0.0026 81 ALA D CA 5063 C C . ALA D 82 ? 0.4280 0.3519 0.6815 -0.0228 -0.0184 0.0187 81 ALA D C 5064 O O . ALA D 82 ? 0.4461 0.3613 0.7404 -0.0250 -0.0191 0.0253 81 ALA D O 5065 C CB . ALA D 82 ? 0.4359 0.3503 0.6328 -0.0161 -0.0489 -0.0148 81 ALA D CB 5066 N N . THR D 83 ? 0.4222 0.3528 0.6436 -0.0199 0.0005 0.0298 82 THR D N 5067 C CA . THR D 83 ? 0.4288 0.3521 0.6474 -0.0168 0.0225 0.0508 82 THR D CA 5068 C C . THR D 83 ? 0.4200 0.3413 0.5813 -0.0099 0.0231 0.0511 82 THR D C 5069 O O . THR D 83 ? 0.4045 0.3347 0.5370 -0.0091 0.0141 0.0389 82 THR D O 5070 C CB . THR D 83 ? 0.4352 0.3594 0.6667 -0.0168 0.0471 0.0666 82 THR D CB 5071 O OG1 . THR D 83 ? 0.4277 0.3599 0.6203 -0.0148 0.0478 0.0597 82 THR D OG1 5072 C CG2 . THR D 83 ? 0.4275 0.3559 0.7309 -0.0239 0.0465 0.0682 82 THR D CG2 5073 N N . PRO D 84 ? 0.4366 0.3444 0.5849 -0.0047 0.0319 0.0655 83 PRO D N 5074 C CA . PRO D 84 ? 0.4430 0.3448 0.5414 0.0026 0.0281 0.0672 83 PRO D CA 5075 C C . PRO D 84 ? 0.4498 0.3535 0.5079 0.0055 0.0326 0.0661 83 PRO D C 5076 O O . PRO D 84 ? 0.4589 0.3642 0.4857 0.0091 0.0199 0.0592 83 PRO D O 5077 C CB . PRO D 84 ? 0.4776 0.3571 0.5683 0.0087 0.0413 0.0879 83 PRO D CB 5078 C CG . PRO D 84 ? 0.4644 0.3438 0.6120 0.0027 0.0437 0.0909 83 PRO D CG 5079 C CD . PRO D 84 ? 0.4494 0.3438 0.6324 -0.0052 0.0439 0.0818 83 PRO D CD 5080 N N . SER D 85 ? 0.4515 0.3543 0.5154 0.0043 0.0501 0.0729 84 SER D N 5081 C CA . SER D 85 ? 0.4623 0.3636 0.4878 0.0080 0.0556 0.0714 84 SER D CA 5082 C C . SER D 85 ? 0.4329 0.3545 0.4594 0.0026 0.0380 0.0520 84 SER D C 5083 O O . SER D 85 ? 0.4362 0.3577 0.4316 0.0050 0.0368 0.0478 84 SER D O 5084 C CB . SER D 85 ? 0.4801 0.3752 0.5186 0.0090 0.0825 0.0839 84 SER D CB 5085 O OG . SER D 85 ? 0.4442 0.3596 0.5327 0.0001 0.0793 0.0749 84 SER D OG 5086 N N . GLN D 86 ? 0.4143 0.3488 0.4727 -0.0032 0.0245 0.0405 85 GLN D N 5087 C CA . GLN D 86 ? 0.4004 0.3486 0.4544 -0.0064 0.0109 0.0240 85 GLN D CA 5088 C C . GLN D 86 ? 0.3970 0.3477 0.4352 -0.0036 -0.0013 0.0170 85 GLN D C 5089 O O . GLN D 86 ? 0.3827 0.3425 0.4172 -0.0050 -0.0083 0.0056 85 GLN D O 5090 C CB . GLN D 86 ? 0.3838 0.3374 0.4715 -0.0118 0.0037 0.0145 85 GLN D CB 5091 C CG . GLN D 86 ? 0.4067 0.3616 0.5210 -0.0150 0.0137 0.0209 85 GLN D CG 5092 C CD . GLN D 86 ? 0.4245 0.3798 0.5802 -0.0198 0.0000 0.0123 85 GLN D CD 5093 O OE1 . GLN D 86 ? 0.4266 0.3748 0.6053 -0.0208 -0.0082 0.0108 85 GLN D OE1 5094 N NE2 . GLN D 86 ? 0.4279 0.3883 0.5926 -0.0222 -0.0057 0.0058 85 GLN D NE2 5095 N N . THR D 87 ? 0.4059 0.3470 0.4370 0.0010 -0.0026 0.0253 86 THR D N 5096 C CA . THR D 87 ? 0.4101 0.3534 0.4311 0.0049 -0.0147 0.0212 86 THR D CA 5097 C C . THR D 87 ? 0.4133 0.3598 0.4101 0.0055 -0.0194 0.0177 86 THR D C 5098 O O . THR D 87 ? 0.4425 0.3768 0.4118 0.0087 -0.0158 0.0247 86 THR D O 5099 C CB . THR D 87 ? 0.4318 0.3600 0.4464 0.0111 -0.0184 0.0324 86 THR D CB 5100 O OG1 . THR D 87 ? 0.4321 0.3582 0.4750 0.0098 -0.0152 0.0341 86 THR D OG1 5101 C CG2 . THR D 87 ? 0.4167 0.3476 0.4303 0.0154 -0.0347 0.0285 86 THR D CG2 5102 N N . SER D 88 ? 0.4059 0.3658 0.4128 0.0035 -0.0260 0.0074 87 SER D N 5103 C CA . SER D 88 ? 0.4005 0.3645 0.3933 0.0025 -0.0306 0.0033 87 SER D CA 5104 C C . SER D 88 ? 0.3860 0.3646 0.4003 0.0002 -0.0327 -0.0055 87 SER D C 5105 O O . SER D 88 ? 0.3863 0.3693 0.4194 0.0008 -0.0282 -0.0090 87 SER D O 5106 C CB . SER D 88 ? 0.3958 0.3590 0.3752 -0.0006 -0.0203 0.0030 87 SER D CB 5107 O OG . SER D 88 ? 0.4042 0.3648 0.3631 0.0000 -0.0247 0.0009 87 SER D OG 5108 N N . VAL D 89 ? 0.3840 0.3668 0.3948 -0.0012 -0.0381 -0.0085 88 VAL D N 5109 C CA . VAL D 89 ? 0.3633 0.3582 0.3943 -0.0037 -0.0335 -0.0144 88 VAL D CA 5110 C C . VAL D 89 ? 0.3562 0.3519 0.3711 -0.0077 -0.0254 -0.0181 88 VAL D C 5111 O O . VAL D 89 ? 0.3525 0.3436 0.3489 -0.0090 -0.0291 -0.0173 88 VAL D O 5112 C CB . VAL D 89 ? 0.3661 0.3660 0.4193 -0.0032 -0.0462 -0.0143 88 VAL D CB 5113 C CG1 . VAL D 89 ? 0.3523 0.3642 0.4348 -0.0050 -0.0345 -0.0171 88 VAL D CG1 5114 C CG2 . VAL D 89 ? 0.3693 0.3658 0.4394 0.0017 -0.0590 -0.0102 88 VAL D CG2 5115 N N . TYR D 90 ? 0.3435 0.3407 0.3615 -0.0081 -0.0150 -0.0224 89 TYR D N 5116 C CA . TYR D 90 ? 0.3428 0.3372 0.3450 -0.0105 -0.0103 -0.0258 89 TYR D CA 5117 C C . TYR D 90 ? 0.3513 0.3485 0.3575 -0.0110 -0.0036 -0.0275 89 TYR D C 5118 O O . TYR D 90 ? 0.3625 0.3600 0.3817 -0.0077 0.0053 -0.0274 89 TYR D O 5119 C CB . TYR D 90 ? 0.3400 0.3253 0.3349 -0.0088 -0.0079 -0.0296 89 TYR D CB 5120 C CG . TYR D 90 ? 0.3521 0.3348 0.3515 -0.0096 -0.0123 -0.0261 89 TYR D CG 5121 C CD1 . TYR D 90 ? 0.3423 0.3236 0.3529 -0.0071 -0.0137 -0.0228 89 TYR D CD1 5122 C CD2 . TYR D 90 ? 0.3347 0.3156 0.3320 -0.0123 -0.0131 -0.0247 89 TYR D CD2 5123 C CE1 . TYR D 90 ? 0.3545 0.3310 0.3710 -0.0077 -0.0145 -0.0170 89 TYR D CE1 5124 C CE2 . TYR D 90 ? 0.3537 0.3316 0.3627 -0.0127 -0.0120 -0.0188 89 TYR D CE2 5125 C CZ . TYR D 90 ? 0.3688 0.3438 0.3858 -0.0106 -0.0120 -0.0144 89 TYR D CZ 5126 O OH . TYR D 90 ? 0.3500 0.3199 0.3802 -0.0108 -0.0078 -0.0062 89 TYR D OH 5127 N N . PHE D 91 ? 0.3409 0.3387 0.3382 -0.0144 -0.0054 -0.0278 90 PHE D N 5128 C CA . PHE D 91 ? 0.3503 0.3490 0.3535 -0.0154 0.0020 -0.0274 90 PHE D CA 5129 C C . PHE D 91 ? 0.3613 0.3505 0.3404 -0.0154 0.0056 -0.0297 90 PHE D C 5130 O O . PHE D 91 ? 0.3737 0.3618 0.3419 -0.0174 -0.0016 -0.0311 90 PHE D O 5131 C CB . PHE D 91 ? 0.3407 0.3461 0.3600 -0.0193 -0.0068 -0.0258 90 PHE D CB 5132 C CG . PHE D 91 ? 0.3441 0.3565 0.3940 -0.0187 -0.0143 -0.0237 90 PHE D CG 5133 C CD1 . PHE D 91 ? 0.3355 0.3548 0.4220 -0.0183 -0.0048 -0.0204 90 PHE D CD1 5134 C CD2 . PHE D 91 ? 0.3308 0.3402 0.3744 -0.0172 -0.0304 -0.0238 90 PHE D CD2 5135 C CE1 . PHE D 91 ? 0.3316 0.3587 0.4580 -0.0176 -0.0144 -0.0183 90 PHE D CE1 5136 C CE2 . PHE D 91 ? 0.3443 0.3573 0.4168 -0.0157 -0.0427 -0.0221 90 PHE D CE2 5137 C CZ . PHE D 91 ? 0.3324 0.3562 0.4511 -0.0163 -0.0363 -0.0198 90 PHE D CZ 5138 N N . CYS D 92 ? 0.3774 0.3569 0.3477 -0.0116 0.0179 -0.0293 91 CYS D N 5139 C CA . CYS D 92 ? 0.3995 0.3644 0.3423 -0.0098 0.0196 -0.0308 91 CYS D CA 5140 C C . CYS D 92 ? 0.3873 0.3550 0.3404 -0.0128 0.0274 -0.0256 91 CYS D C 5141 O O . CYS D 92 ? 0.3700 0.3461 0.3515 -0.0137 0.0368 -0.0209 91 CYS D O 5142 C CB . CYS D 92 ? 0.4338 0.3766 0.3496 -0.0008 0.0299 -0.0327 91 CYS D CB 5143 S SG . CYS D 92 ? 0.5695 0.4847 0.4419 0.0044 0.0314 -0.0330 91 CYS D SG 5144 N N . ALA D 93 ? 0.3843 0.3447 0.3206 -0.0141 0.0231 -0.0261 92 ALA D N 5145 C CA . ALA D 93 ? 0.3953 0.3543 0.3399 -0.0164 0.0314 -0.0206 92 ALA D CA 5146 C C . ALA D 93 ? 0.4232 0.3606 0.3321 -0.0121 0.0328 -0.0200 92 ALA D C 5147 O O . ALA D 93 ? 0.4388 0.3673 0.3252 -0.0094 0.0201 -0.0256 92 ALA D O 5148 C CB . ALA D 93 ? 0.3574 0.3308 0.3251 -0.0237 0.0187 -0.0219 92 ALA D CB 5149 N N . SER D 94 ? 0.4362 0.3635 0.3432 -0.0110 0.0470 -0.0126 93 SER D N 5150 C CA . SER D 94 ? 0.4639 0.3669 0.3337 -0.0062 0.0467 -0.0106 93 SER D CA 5151 C C . SER D 94 ? 0.4651 0.3710 0.3534 -0.0116 0.0507 -0.0042 93 SER D C 5152 O O . SER D 94 ? 0.4514 0.3745 0.3816 -0.0181 0.0564 -0.0006 93 SER D O 5153 C CB . SER D 94 ? 0.5038 0.3754 0.3315 0.0056 0.0642 -0.0063 93 SER D CB 5154 O OG . SER D 94 ? 0.5161 0.3819 0.3557 0.0069 0.0910 0.0058 93 SER D OG 5155 N N . GLY D 95 ? 0.4778 0.3656 0.3385 -0.0088 0.0442 -0.0032 94 GLY D N 5156 C CA . GLY D 95 ? 0.4779 0.3632 0.3527 -0.0128 0.0492 0.0037 94 GLY D CA 5157 C C . GLY D 95 ? 0.5083 0.3643 0.3416 -0.0060 0.0458 0.0073 94 GLY D C 5158 O O . GLY D 95 ? 0.5285 0.3673 0.3244 0.0012 0.0327 0.0020 94 GLY D O 5159 N N . ASP D 96 ? 0.5176 0.3655 0.3593 -0.0081 0.0546 0.0162 95 ASP D N 5160 C CA . ASP D 96 ? 0.5456 0.3658 0.3502 -0.0019 0.0467 0.0194 95 ASP D CA 5161 C C . ASP D 96 ? 0.5201 0.3568 0.3510 -0.0087 0.0256 0.0121 95 ASP D C 5162 O O . ASP D 96 ? 0.4670 0.3287 0.3226 -0.0139 0.0128 0.0017 95 ASP D O 5163 C CB . ASP D 96 ? 0.5963 0.3875 0.3819 0.0034 0.0723 0.0361 95 ASP D CB 5164 C CG . ASP D 96 ? 0.5848 0.3947 0.4283 -0.0070 0.0876 0.0442 95 ASP D CG 5165 O OD1 . ASP D 96 ? 0.5315 0.3703 0.4206 -0.0176 0.0713 0.0354 95 ASP D OD1 5166 O OD2 . ASP D 96 ? 0.6078 0.3996 0.4504 -0.0035 0.1165 0.0599 95 ASP D OD2 5167 N N . GLU D 97 ? 0.5459 0.3658 0.3693 -0.0074 0.0239 0.0182 96 GLU D N 5168 C CA . GLU D 97 ? 0.5321 0.3638 0.3782 -0.0118 0.0054 0.0109 96 GLU D CA 5169 C C . GLU D 97 ? 0.4992 0.3556 0.3925 -0.0220 0.0074 0.0070 96 GLU D C 5170 O O . GLU D 97 ? 0.4809 0.3487 0.3904 -0.0244 -0.0061 -0.0021 96 GLU D O 5171 C CB . GLU D 97 ? 0.5623 0.3663 0.3859 -0.0062 -0.0001 0.0178 96 GLU D CB 5172 C CG . GLU D 97 ? 0.5989 0.3867 0.4261 -0.0077 0.0194 0.0322 96 GLU D CG 5173 C CD . GLU D 97 ? 0.6609 0.4178 0.4454 0.0010 0.0418 0.0463 96 GLU D CD 5174 O OE1 . GLU D 97 ? 0.6777 0.4288 0.4321 0.0073 0.0427 0.0428 96 GLU D OE1 5175 O OE2 . GLU D 97 ? 0.6694 0.4048 0.4497 0.0025 0.0605 0.0616 96 GLU D OE2 5176 N N . GLY D 98 ? 0.4996 0.3615 0.4150 -0.0267 0.0236 0.0136 97 GLY D N 5177 C CA . GLY D 98 ? 0.4769 0.3572 0.4383 -0.0358 0.0198 0.0091 97 GLY D CA 5178 C C . GLY D 98 ? 0.4522 0.3535 0.4216 -0.0377 0.0076 -0.0034 97 GLY D C 5179 O O . GLY D 98 ? 0.4544 0.3592 0.4011 -0.0332 0.0058 -0.0070 97 GLY D O 5180 N N . TYR D 99 ? 0.4357 0.3470 0.4357 -0.0434 -0.0021 -0.0100 98 TYR D N 5181 C CA . TYR D 99 ? 0.4247 0.3486 0.4235 -0.0432 -0.0147 -0.0214 98 TYR D CA 5182 C C . TYR D 99 ? 0.4176 0.3541 0.4311 -0.0448 -0.0102 -0.0195 98 TYR D C 5183 O O . TYR D 99 ? 0.4218 0.3661 0.4243 -0.0426 -0.0172 -0.0263 98 TYR D O 5184 C CB . TYR D 99 ? 0.4134 0.3329 0.4236 -0.0451 -0.0319 -0.0316 98 TYR D CB 5185 C CG . TYR D 99 ? 0.4262 0.3429 0.4774 -0.0520 -0.0385 -0.0300 98 TYR D CG 5186 C CD1 . TYR D 99 ? 0.4295 0.3559 0.5108 -0.0558 -0.0436 -0.0300 98 TYR D CD1 5187 C CD2 . TYR D 99 ? 0.4287 0.3326 0.4954 -0.0548 -0.0417 -0.0286 98 TYR D CD2 5188 C CE1 . TYR D 99 ? 0.4311 0.3556 0.5626 -0.0626 -0.0530 -0.0286 98 TYR D CE1 5189 C CE2 . TYR D 99 ? 0.4321 0.3331 0.5454 -0.0619 -0.0495 -0.0270 98 TYR D CE2 5190 C CZ . TYR D 99 ? 0.4517 0.3634 0.6001 -0.0659 -0.0562 -0.0273 98 TYR D CZ 5191 O OH . TYR D 99 ? 0.5091 0.4184 0.7164 -0.0735 -0.0673 -0.0257 98 TYR D OH 5192 N N . THR D 100 ? 0.4149 0.3521 0.4555 -0.0478 0.0035 -0.0093 99 THR D N 5193 C CA . THR D 100 ? 0.4049 0.3542 0.4685 -0.0487 0.0103 -0.0063 99 THR D CA 5194 C C . THR D 100 ? 0.3999 0.3509 0.4298 -0.0423 0.0194 -0.0061 99 THR D C 5195 O O . THR D 100 ? 0.4096 0.3472 0.4077 -0.0370 0.0319 -0.0009 99 THR D O 5196 C CB . THR D 100 ? 0.4121 0.3607 0.5192 -0.0520 0.0298 0.0072 99 THR D CB 5197 O OG1 . THR D 100 ? 0.4181 0.3645 0.5643 -0.0588 0.0183 0.0067 99 THR D OG1 5198 C CG2 . THR D 100 ? 0.4074 0.3708 0.5514 -0.0527 0.0355 0.0097 99 THR D CG2 5199 N N . GLN D 101 ? 0.3754 0.3385 0.4100 -0.0421 0.0105 -0.0123 100 GLN D N 5200 C CA . GLN D 101 ? 0.3671 0.3320 0.3798 -0.0369 0.0184 -0.0122 100 GLN D CA 5201 C C . GLN D 101 ? 0.3726 0.3455 0.4181 -0.0370 0.0308 -0.0063 100 GLN D C 5202 O O . GLN D 101 ? 0.3631 0.3473 0.4484 -0.0415 0.0204 -0.0077 100 GLN D O 5203 C CB . GLN D 101 ? 0.3644 0.3350 0.3585 -0.0354 0.0029 -0.0215 100 GLN D CB 5204 C CG . GLN D 101 ? 0.3527 0.3156 0.3204 -0.0335 -0.0035 -0.0257 100 GLN D CG 5205 C CD . GLN D 101 ? 0.3733 0.3401 0.3268 -0.0307 -0.0105 -0.0312 100 GLN D CD 5206 O OE1 . GLN D 101 ? 0.3478 0.3212 0.3036 -0.0297 -0.0104 -0.0317 100 GLN D OE1 5207 N NE2 . GLN D 101 ? 0.3507 0.3131 0.2936 -0.0290 -0.0148 -0.0342 100 GLN D NE2 5208 N N . TYR D 102 ? 0.3799 0.3434 0.4090 -0.0309 0.0524 0.0002 101 TYR D N 5209 C CA . TYR D 102 ? 0.3773 0.3461 0.4395 -0.0289 0.0711 0.0075 101 TYR D CA 5210 C C . TYR D 102 ? 0.3665 0.3406 0.4148 -0.0247 0.0664 0.0013 101 TYR D C 5211 O O . TYR D 102 ? 0.3863 0.3462 0.3888 -0.0180 0.0699 -0.0015 101 TYR D O 5212 C CB . TYR D 102 ? 0.4008 0.3490 0.4481 -0.0219 0.1035 0.0199 101 TYR D CB 5213 C CG . TYR D 102 ? 0.4031 0.3438 0.4657 -0.0261 0.1102 0.0284 101 TYR D CG 5214 C CD1 . TYR D 102 ? 0.3995 0.3503 0.5288 -0.0318 0.1224 0.0384 101 TYR D CD1 5215 C CD2 . TYR D 102 ? 0.4037 0.3283 0.4225 -0.0249 0.1015 0.0263 101 TYR D CD2 5216 C CE1 . TYR D 102 ? 0.4081 0.3516 0.5572 -0.0366 0.1271 0.0463 101 TYR D CE1 5217 C CE2 . TYR D 102 ? 0.4110 0.3276 0.4443 -0.0287 0.1064 0.0341 101 TYR D CE2 5218 C CZ . TYR D 102 ? 0.4358 0.3613 0.5329 -0.0347 0.1197 0.0441 101 TYR D CZ 5219 O OH . TYR D 102 ? 0.4789 0.3945 0.5928 -0.0387 0.1247 0.0526 101 TYR D OH 5220 N N . PHE D 103 ? 0.3471 0.3388 0.4352 -0.0282 0.0552 -0.0010 102 PHE D N 5221 C CA . PHE D 103 ? 0.3426 0.3395 0.4197 -0.0248 0.0474 -0.0068 102 PHE D CA 5222 C C . PHE D 103 ? 0.3446 0.3393 0.4320 -0.0179 0.0693 -0.0020 102 PHE D C 5223 O O . PHE D 103 ? 0.3510 0.3492 0.4796 -0.0172 0.0878 0.0065 102 PHE D O 5224 C CB . PHE D 103 ? 0.3284 0.3387 0.4306 -0.0295 0.0216 -0.0121 102 PHE D CB 5225 C CG . PHE D 103 ? 0.3618 0.3676 0.4342 -0.0320 0.0026 -0.0189 102 PHE D CG 5226 C CD1 . PHE D 103 ? 0.3607 0.3636 0.4425 -0.0366 -0.0060 -0.0198 102 PHE D CD1 5227 C CD2 . PHE D 103 ? 0.3678 0.3700 0.4040 -0.0291 -0.0034 -0.0236 102 PHE D CD2 5228 C CE1 . PHE D 103 ? 0.3471 0.3426 0.3984 -0.0369 -0.0196 -0.0262 102 PHE D CE1 5229 C CE2 . PHE D 103 ? 0.3775 0.3741 0.3888 -0.0299 -0.0148 -0.0282 102 PHE D CE2 5230 C CZ . PHE D 103 ? 0.3611 0.3537 0.3773 -0.0331 -0.0221 -0.0299 102 PHE D CZ 5231 N N . GLY D 104 ? 0.3469 0.3340 0.3992 -0.0122 0.0681 -0.0074 103 GLY D N 5232 C CA . GLY D 104 ? 0.3637 0.3468 0.4209 -0.0045 0.0842 -0.0059 103 GLY D CA 5233 C C . GLY D 104 ? 0.3440 0.3476 0.4494 -0.0076 0.0717 -0.0064 103 GLY D C 5234 O O . GLY D 104 ? 0.3320 0.3476 0.4540 -0.0147 0.0477 -0.0091 103 GLY D O 5235 N N . PRO D 105 ? 0.3447 0.3482 0.4684 -0.0007 0.0866 -0.0043 104 PRO D N 5236 C CA . PRO D 105 ? 0.3276 0.3490 0.5055 -0.0019 0.0768 -0.0029 104 PRO D CA 5237 C C . PRO D 105 ? 0.3173 0.3420 0.4798 -0.0029 0.0513 -0.0097 104 PRO D C 5238 O O . PRO D 105 ? 0.3148 0.3509 0.5161 -0.0038 0.0371 -0.0086 104 PRO D O 5239 C CB . PRO D 105 ? 0.3529 0.3680 0.5492 0.0083 0.1089 0.0022 104 PRO D CB 5240 C CG . PRO D 105 ? 0.3788 0.3664 0.5039 0.0167 0.1235 -0.0021 104 PRO D CG 5241 C CD . PRO D 105 ? 0.3838 0.3651 0.4764 0.0106 0.1161 -0.0024 104 PRO D CD 5242 N N . GLY D 106 ? 0.3285 0.3412 0.4382 -0.0021 0.0457 -0.0156 105 GLY D N 5243 C CA . GLY D 106 ? 0.3184 0.3320 0.4142 -0.0032 0.0258 -0.0195 105 GLY D CA 5244 C C . GLY D 106 ? 0.3420 0.3466 0.4267 0.0036 0.0329 -0.0222 105 GLY D C 5245 O O . GLY D 106 ? 0.3546 0.3560 0.4556 0.0104 0.0509 -0.0208 105 GLY D O 5246 N N . THR D 107 ? 0.3414 0.3402 0.4015 0.0027 0.0204 -0.0257 106 THR D N 5247 C CA . THR D 107 ? 0.3572 0.3462 0.4110 0.0083 0.0222 -0.0289 106 THR D CA 5248 C C . THR D 107 ? 0.3483 0.3430 0.4119 0.0056 0.0054 -0.0259 106 THR D C 5249 O O . THR D 107 ? 0.3377 0.3328 0.3866 0.0008 -0.0048 -0.0243 106 THR D O 5250 C CB . THR D 107 ? 0.3734 0.3427 0.3882 0.0109 0.0233 -0.0360 106 THR D CB 5251 O OG1 . THR D 107 ? 0.4406 0.3963 0.4347 0.0163 0.0392 -0.0381 106 THR D OG1 5252 C CG2 . THR D 107 ? 0.3703 0.3267 0.3820 0.0164 0.0208 -0.0407 106 THR D CG2 5253 N N . ARG D 108 ? 0.3464 0.3429 0.4339 0.0101 0.0049 -0.0240 107 ARG D N 5254 C CA . ARG D 108 ? 0.3654 0.3616 0.4574 0.0096 -0.0099 -0.0196 107 ARG D CA 5255 C C . ARG D 108 ? 0.3640 0.3475 0.4420 0.0113 -0.0089 -0.0222 107 ARG D C 5256 O O . ARG D 108 ? 0.3869 0.3628 0.4706 0.0171 -0.0013 -0.0268 107 ARG D O 5257 C CB . ARG D 108 ? 0.3683 0.3710 0.4973 0.0140 -0.0148 -0.0157 107 ARG D CB 5258 C CG . ARG D 108 ? 0.4379 0.4531 0.5980 0.0127 -0.0194 -0.0133 107 ARG D CG 5259 C CD . ARG D 108 ? 0.5344 0.5517 0.7251 0.0163 -0.0372 -0.0085 107 ARG D CD 5260 N NE . ARG D 108 ? 0.5950 0.6254 0.8423 0.0185 -0.0363 -0.0068 107 ARG D NE 5261 C CZ . ARG D 108 ? 0.6433 0.6809 0.9161 0.0150 -0.0524 -0.0052 107 ARG D CZ 5262 N NH1 . ARG D 108 ? 0.6670 0.6967 0.9029 0.0103 -0.0694 -0.0065 107 ARG D NH1 5263 N NH2 . ARG D 108 ? 0.6337 0.6846 0.9721 0.0167 -0.0508 -0.0026 107 ARG D NH2 5264 N N . LEU D 109 ? 0.3572 0.3364 0.4201 0.0073 -0.0160 -0.0189 108 LEU D N 5265 C CA . LEU D 109 ? 0.3565 0.3243 0.4184 0.0077 -0.0173 -0.0194 108 LEU D CA 5266 C C . LEU D 109 ? 0.3568 0.3214 0.4260 0.0085 -0.0236 -0.0090 108 LEU D C 5267 O O . LEU D 109 ? 0.3582 0.3233 0.4156 0.0073 -0.0273 -0.0012 108 LEU D O 5268 C CB . LEU D 109 ? 0.3462 0.3097 0.3947 0.0028 -0.0176 -0.0218 108 LEU D CB 5269 C CG . LEU D 109 ? 0.3657 0.3181 0.4249 0.0015 -0.0215 -0.0216 108 LEU D CG 5270 C CD1 . LEU D 109 ? 0.3373 0.2759 0.3989 0.0067 -0.0243 -0.0320 108 LEU D CD1 5271 C CD2 . LEU D 109 ? 0.3528 0.3044 0.4108 -0.0037 -0.0233 -0.0224 108 LEU D CD2 5272 N N . LEU D 110 ? 0.3669 0.3236 0.4506 0.0120 -0.0246 -0.0088 109 LEU D N 5273 C CA . LEU D 110 ? 0.3752 0.3232 0.4630 0.0128 -0.0286 0.0025 109 LEU D CA 5274 C C . LEU D 110 ? 0.3850 0.3224 0.4835 0.0104 -0.0265 0.0015 109 LEU D C 5275 O O . LEU D 110 ? 0.3971 0.3282 0.5061 0.0128 -0.0280 -0.0084 109 LEU D O 5276 C CB . LEU D 110 ? 0.3786 0.3251 0.4823 0.0193 -0.0349 0.0059 109 LEU D CB 5277 C CG . LEU D 110 ? 0.3921 0.3247 0.4978 0.0222 -0.0396 0.0185 109 LEU D CG 5278 C CD1 . LEU D 110 ? 0.3640 0.2876 0.4406 0.0225 -0.0421 0.0314 109 LEU D CD1 5279 C CD2 . LEU D 110 ? 0.3963 0.3285 0.5246 0.0294 -0.0477 0.0188 109 LEU D CD2 5280 N N . VAL D 111 ? 0.3910 0.3234 0.4883 0.0067 -0.0225 0.0120 110 VAL D N 5281 C CA . VAL D 111 ? 0.3882 0.3105 0.5096 0.0036 -0.0212 0.0147 110 VAL D CA 5282 C C . VAL D 111 ? 0.4100 0.3202 0.5407 0.0065 -0.0181 0.0301 110 VAL D C 5283 O O . VAL D 111 ? 0.4231 0.3273 0.5378 0.0080 -0.0097 0.0454 110 VAL D O 5284 C CB . VAL D 111 ? 0.3827 0.3077 0.5098 -0.0024 -0.0148 0.0180 110 VAL D CB 5285 C CG1 . VAL D 111 ? 0.3667 0.2829 0.5334 -0.0067 -0.0168 0.0192 110 VAL D CG1 5286 C CG2 . VAL D 111 ? 0.3585 0.2934 0.4702 -0.0043 -0.0189 0.0046 110 VAL D CG2 5287 N N . LEU D 112 ? 0.4219 0.3241 0.5729 0.0090 -0.0244 0.0263 111 LEU D N 5288 C CA . LEU D 112 ? 0.4433 0.3312 0.6075 0.0117 -0.0223 0.0410 111 LEU D CA 5289 C C . LEU D 112 ? 0.4532 0.3311 0.6513 0.0060 -0.0166 0.0484 111 LEU D C 5290 O O . LEU D 112 ? 0.4427 0.3225 0.6627 0.0007 -0.0224 0.0364 111 LEU D O 5291 C CB . LEU D 112 ? 0.4452 0.3283 0.6210 0.0177 -0.0318 0.0333 111 LEU D CB 5292 C CG . LEU D 112 ? 0.4477 0.3414 0.6088 0.0239 -0.0370 0.0268 111 LEU D CG 5293 C CD1 . LEU D 112 ? 0.4201 0.3089 0.6016 0.0303 -0.0418 0.0166 111 LEU D CD1 5294 C CD2 . LEU D 112 ? 0.4695 0.3604 0.6109 0.0281 -0.0399 0.0422 111 LEU D CD2 5295 N N . GLU D 113 ? 0.4814 0.3455 0.6857 0.0077 -0.0063 0.0686 112 GLU D N 5296 C CA . GLU D 113 ? 0.4978 0.3513 0.7456 0.0023 0.0023 0.0797 112 GLU D CA 5297 C C . GLU D 113 ? 0.4988 0.3450 0.7846 0.0005 -0.0137 0.0668 112 GLU D C 5298 O O . GLU D 113 ? 0.4985 0.3402 0.8294 -0.0060 -0.0177 0.0640 112 GLU D O 5299 C CB . GLU D 113 ? 0.5348 0.3696 0.7724 0.0071 0.0209 0.1072 112 GLU D CB 5300 N N . ASP D 114 ? 0.4512 0.7514 0.7989 -0.0956 0.1651 0.0345 113 ASP D N 5301 C CA . ASP D 114 ? 0.4535 0.7205 0.8051 -0.1109 0.1486 0.0435 113 ASP D CA 5302 C C . ASP D 114 ? 0.4328 0.6517 0.7422 -0.0985 0.1294 0.0408 113 ASP D C 5303 O O . ASP D 114 ? 0.4369 0.6431 0.7067 -0.0854 0.1340 0.0419 113 ASP D O 5304 C CB . ASP D 114 ? 0.4906 0.7527 0.8401 -0.1341 0.1653 0.0669 113 ASP D CB 5305 C CG . ASP D 114 ? 0.5324 0.7577 0.8927 -0.1507 0.1497 0.0741 113 ASP D CG 5306 O OD1 . ASP D 114 ? 0.5845 0.8260 0.9906 -0.1667 0.1452 0.0705 113 ASP D OD1 5307 O OD2 . ASP D 114 ? 0.5843 0.7648 0.9095 -0.1477 0.1415 0.0818 113 ASP D OD2 5308 N N . LEU D 115 ? 0.4163 0.6116 0.7352 -0.1035 0.1083 0.0357 114 LEU D N 5309 C CA . LEU D 115 ? 0.4005 0.5548 0.6847 -0.0928 0.0904 0.0306 114 LEU D CA 5310 C C . LEU D 115 ? 0.4157 0.5274 0.6781 -0.1027 0.0896 0.0433 114 LEU D C 5311 O O . LEU D 115 ? 0.3989 0.4782 0.6365 -0.0944 0.0763 0.0379 114 LEU D O 5312 C CB . LEU D 115 ? 0.3836 0.5402 0.6865 -0.0905 0.0674 0.0145 114 LEU D CB 5313 C CG . LEU D 115 ? 0.3816 0.5752 0.7081 -0.0772 0.0626 0.0038 114 LEU D CG 5314 C CD1 . LEU D 115 ? 0.3855 0.5825 0.7291 -0.0788 0.0374 -0.0069 114 LEU D CD1 5315 C CD2 . LEU D 115 ? 0.3615 0.5499 0.6583 -0.0551 0.0658 0.0006 114 LEU D CD2 5316 N N . ARG D 116 ? 0.4380 0.5503 0.7118 -0.1201 0.1044 0.0612 115 ARG D N 5317 C CA . ARG D 116 ? 0.4719 0.5421 0.7394 -0.1317 0.1012 0.0742 115 ARG D CA 5318 C C . ARG D 116 ? 0.4763 0.5121 0.6997 -0.1172 0.0980 0.0815 115 ARG D C 5319 O O . ARG D 116 ? 0.4940 0.4905 0.7139 -0.1200 0.0894 0.0849 115 ARG D O 5320 C CB . ARG D 116 ? 0.4990 0.5761 0.7890 -0.1543 0.1181 0.0971 115 ARG D CB 5321 C CG . ARG D 116 ? 0.5318 0.6219 0.7930 -0.1522 0.1381 0.1194 115 ARG D CG 5322 C CD . ARG D 116 ? 0.5935 0.7026 0.8782 -0.1764 0.1577 0.1433 115 ARG D CD 5323 N NE . ARG D 116 ? 0.6231 0.7798 0.8957 -0.1735 0.1794 0.1477 115 ARG D NE 5324 C CZ . ARG D 116 ? 0.6462 0.8062 0.8764 -0.1686 0.1917 0.1646 115 ARG D CZ 5325 N NH1 . ARG D 116 ? 0.6780 0.7967 0.8760 -0.1654 0.1831 0.1824 115 ARG D NH1 5326 N NH2 . ARG D 116 ? 0.6527 0.8597 0.8739 -0.1669 0.2123 0.1627 115 ARG D NH2 5327 N N . ASN D 117 ? 0.4648 0.5162 0.6584 -0.1017 0.1046 0.0821 116 ASN D N 5328 C CA . ASN D 117 ? 0.4710 0.4972 0.6248 -0.0896 0.1024 0.0911 116 ASN D CA 5329 C C . ASN D 117 ? 0.4482 0.4627 0.5818 -0.0707 0.0876 0.0722 116 ASN D C 5330 O O . ASN D 117 ? 0.4587 0.4537 0.5629 -0.0603 0.0839 0.0774 116 ASN D O 5331 C CB . ASN D 117 ? 0.4876 0.5370 0.6168 -0.0884 0.1196 0.1065 116 ASN D CB 5332 C CG . ASN D 117 ? 0.5416 0.5887 0.6760 -0.1072 0.1326 0.1355 116 ASN D CG 5333 O OD1 . ASN D 117 ? 0.5989 0.6102 0.7413 -0.1150 0.1256 0.1496 116 ASN D OD1 5334 N ND2 . ASN D 117 ? 0.5330 0.6181 0.6645 -0.1147 0.1523 0.1448 116 ASN D ND2 5335 N N . VAL D 118 ? 0.4185 0.4465 0.5692 -0.0671 0.0784 0.0524 117 VAL D N 5336 C CA . VAL D 118 ? 0.3879 0.4077 0.5208 -0.0513 0.0648 0.0369 117 VAL D CA 5337 C C . VAL D 118 ? 0.4053 0.3873 0.5245 -0.0498 0.0545 0.0363 117 VAL D C 5338 O O . VAL D 118 ? 0.4153 0.3801 0.5528 -0.0615 0.0508 0.0358 117 VAL D O 5339 C CB . VAL D 118 ? 0.3655 0.4070 0.5220 -0.0501 0.0549 0.0204 117 VAL D CB 5340 C CG1 . VAL D 118 ? 0.3395 0.3718 0.4764 -0.0358 0.0408 0.0086 117 VAL D CG1 5341 C CG2 . VAL D 118 ? 0.3424 0.4227 0.5191 -0.0488 0.0665 0.0200 117 VAL D CG2 5342 N N . THR D 119 ? 0.4037 0.3739 0.4940 -0.0357 0.0507 0.0351 118 THR D N 5343 C CA . THR D 119 ? 0.4211 0.3597 0.4991 -0.0313 0.0438 0.0356 118 THR D CA 5344 C C . THR D 119 ? 0.4037 0.3421 0.4576 -0.0162 0.0370 0.0264 118 THR D C 5345 O O . THR D 119 ? 0.3989 0.3500 0.4360 -0.0085 0.0413 0.0307 118 THR D O 5346 C CB . THR D 119 ? 0.4462 0.3688 0.5165 -0.0332 0.0512 0.0579 118 THR D CB 5347 O OG1 . THR D 119 ? 0.4763 0.4055 0.5662 -0.0486 0.0609 0.0717 118 THR D OG1 5348 C CG2 . THR D 119 ? 0.4687 0.3569 0.5411 -0.0299 0.0439 0.0579 118 THR D CG2 5349 N N . PRO D 120 ? 0.4005 0.3258 0.4527 -0.0132 0.0271 0.0127 119 PRO D N 5350 C CA . PRO D 120 ? 0.3868 0.3128 0.4180 -0.0011 0.0215 0.0057 119 PRO D CA 5351 C C . PRO D 120 ? 0.3970 0.3089 0.4131 0.0070 0.0239 0.0158 119 PRO D C 5352 O O . PRO D 120 ? 0.4111 0.3081 0.4342 0.0038 0.0274 0.0274 119 PRO D O 5353 C CB . PRO D 120 ? 0.3886 0.3069 0.4229 -0.0036 0.0128 -0.0103 119 PRO D CB 5354 C CG . PRO D 120 ? 0.4038 0.3040 0.4573 -0.0138 0.0144 -0.0116 119 PRO D CG 5355 C CD . PRO D 120 ? 0.4124 0.3213 0.4811 -0.0222 0.0219 0.0025 119 PRO D CD 5356 N N . PRO D 121 ? 0.3836 0.3007 0.3819 0.0170 0.0208 0.0127 120 PRO D N 5357 C CA . PRO D 121 ? 0.3965 0.3054 0.3828 0.0249 0.0206 0.0213 120 PRO D CA 5358 C C . PRO D 121 ? 0.4120 0.3024 0.4051 0.0288 0.0167 0.0162 120 PRO D C 5359 O O . PRO D 121 ? 0.4136 0.3014 0.4119 0.0267 0.0140 0.0009 120 PRO D O 5360 C CB . PRO D 121 ? 0.3789 0.3017 0.3492 0.0319 0.0178 0.0156 120 PRO D CB 5361 C CG . PRO D 121 ? 0.3624 0.2909 0.3379 0.0296 0.0136 0.0022 120 PRO D CG 5362 C CD . PRO D 121 ? 0.3690 0.3007 0.3610 0.0205 0.0163 0.0026 120 PRO D CD 5363 N N . LYS D 122 ? 0.4273 0.3070 0.4211 0.0346 0.0164 0.0285 121 LYS D N 5364 C CA . LYS D 122 ? 0.4402 0.3102 0.4395 0.0435 0.0128 0.0220 121 LYS D CA 5365 C C . LYS D 122 ? 0.4247 0.3124 0.4069 0.0506 0.0096 0.0208 121 LYS D C 5366 O O . LYS D 122 ? 0.4260 0.3256 0.3942 0.0506 0.0094 0.0306 121 LYS D O 5367 C CB . LYS D 122 ? 0.4611 0.3126 0.4753 0.0487 0.0116 0.0370 121 LYS D CB 5368 C CG . LYS D 122 ? 0.5249 0.3558 0.5581 0.0402 0.0147 0.0460 121 LYS D CG 5369 C CD . LYS D 122 ? 0.5862 0.3985 0.6411 0.0367 0.0156 0.0252 121 LYS D CD 5370 N N . VAL D 123 ? 0.4122 0.3026 0.3957 0.0553 0.0079 0.0076 122 VAL D N 5371 C CA . VAL D 123 ? 0.3965 0.3027 0.3687 0.0600 0.0048 0.0067 122 VAL D CA 5372 C C . VAL D 123 ? 0.4117 0.3174 0.3961 0.0693 0.0030 0.0055 122 VAL D C 5373 O O . VAL D 123 ? 0.4243 0.3233 0.4218 0.0715 0.0061 -0.0065 122 VAL D O 5374 C CB . VAL D 123 ? 0.3794 0.2960 0.3424 0.0554 0.0049 -0.0055 122 VAL D CB 5375 C CG1 . VAL D 123 ? 0.3659 0.2960 0.3212 0.0585 0.0019 -0.0058 122 VAL D CG1 5376 C CG2 . VAL D 123 ? 0.3639 0.2836 0.3213 0.0485 0.0056 -0.0039 122 VAL D CG2 5377 N N . SER D 124 ? 0.4061 0.3213 0.3874 0.0748 -0.0019 0.0164 123 SER D N 5378 C CA . SER D 124 ? 0.4211 0.3416 0.4182 0.0845 -0.0052 0.0167 123 SER D CA 5379 C C . SER D 124 ? 0.4062 0.3485 0.3938 0.0840 -0.0091 0.0139 123 SER D C 5380 O O . SER D 124 ? 0.4006 0.3504 0.3700 0.0788 -0.0120 0.0178 123 SER D O 5381 C CB . SER D 124 ? 0.4363 0.3498 0.4438 0.0917 -0.0113 0.0363 123 SER D CB 5382 O OG . SER D 124 ? 0.4845 0.3742 0.5056 0.0912 -0.0079 0.0410 123 SER D OG 5383 N N . LEU D 125 ? 0.4058 0.3586 0.4083 0.0888 -0.0082 0.0054 124 LEU D N 5384 C CA . LEU D 125 ? 0.3969 0.3710 0.3969 0.0871 -0.0119 0.0030 124 LEU D CA 5385 C C . LEU D 125 ? 0.4031 0.3892 0.4229 0.0970 -0.0192 0.0111 124 LEU D C 5386 O O . LEU D 125 ? 0.4216 0.4042 0.4660 0.1066 -0.0169 0.0096 124 LEU D O 5387 C CB . LEU D 125 ? 0.3919 0.3741 0.3941 0.0822 -0.0041 -0.0115 124 LEU D CB 5388 C CG . LEU D 125 ? 0.3910 0.3946 0.3951 0.0776 -0.0060 -0.0140 124 LEU D CG 5389 C CD1 . LEU D 125 ? 0.3901 0.3950 0.3780 0.0714 -0.0139 -0.0083 124 LEU D CD1 5390 C CD2 . LEU D 125 ? 0.3797 0.3889 0.3798 0.0699 0.0029 -0.0242 124 LEU D CD2 5391 N N . PHE D 126 ? 0.4045 0.4053 0.4154 0.0952 -0.0290 0.0190 125 PHE D N 5392 C CA . PHE D 126 ? 0.4070 0.4245 0.4367 0.1041 -0.0394 0.0285 125 PHE D CA 5393 C C . PHE D 126 ? 0.4070 0.4502 0.4471 0.1005 -0.0418 0.0193 125 PHE D C 5394 O O . PHE D 126 ? 0.4003 0.4496 0.4232 0.0897 -0.0431 0.0136 125 PHE D O 5395 C CB . PHE D 126 ? 0.4144 0.4337 0.4259 0.1039 -0.0510 0.0459 125 PHE D CB 5396 C CG . PHE D 126 ? 0.3956 0.3918 0.4019 0.1065 -0.0485 0.0592 125 PHE D CG 5397 C CD1 . PHE D 126 ? 0.3541 0.3350 0.3381 0.0977 -0.0400 0.0559 125 PHE D CD1 5398 C CD2 . PHE D 126 ? 0.4087 0.3986 0.4368 0.1178 -0.0549 0.0761 125 PHE D CD2 5399 C CE1 . PHE D 126 ? 0.3625 0.3236 0.3445 0.0977 -0.0368 0.0685 125 PHE D CE1 5400 C CE2 . PHE D 126 ? 0.4111 0.3765 0.4371 0.1182 -0.0523 0.0905 125 PHE D CE2 5401 C CZ . PHE D 126 ? 0.3944 0.3464 0.3966 0.1070 -0.0426 0.0863 125 PHE D CZ 5402 N N . GLU D 127 ? 0.4109 0.4693 0.4835 0.1097 -0.0421 0.0177 126 GLU D N 5403 C CA . GLU D 127 ? 0.4086 0.4934 0.4981 0.1055 -0.0406 0.0080 126 GLU D CA 5404 C C . GLU D 127 ? 0.4141 0.5247 0.5099 0.1043 -0.0572 0.0155 126 GLU D C 5405 O O . GLU D 127 ? 0.4302 0.5444 0.5292 0.1128 -0.0705 0.0301 126 GLU D O 5406 C CB . GLU D 127 ? 0.4173 0.5114 0.5423 0.1158 -0.0303 -0.0006 126 GLU D CB 5407 C CG . GLU D 127 ? 0.4440 0.5199 0.5594 0.1126 -0.0129 -0.0144 126 GLU D CG 5408 C CD . GLU D 127 ? 0.5000 0.5842 0.6489 0.1237 -0.0010 -0.0273 126 GLU D CD 5409 O OE1 . GLU D 127 ? 0.5274 0.6377 0.7107 0.1321 -0.0028 -0.0282 126 GLU D OE1 5410 O OE2 . GLU D 127 ? 0.5404 0.6065 0.6828 0.1240 0.0103 -0.0387 126 GLU D OE2 5411 N N . PRO D 128 ? 0.3969 0.5266 0.4954 0.0928 -0.0575 0.0067 127 PRO D N 5412 C CA . PRO D 128 ? 0.4003 0.5573 0.5067 0.0887 -0.0737 0.0097 127 PRO D CA 5413 C C . PRO D 128 ? 0.4082 0.5886 0.5464 0.1030 -0.0867 0.0209 127 PRO D C 5414 O O . PRO D 128 ? 0.4070 0.5937 0.5786 0.1151 -0.0797 0.0203 127 PRO D O 5415 C CB . PRO D 128 ? 0.3898 0.5640 0.5112 0.0760 -0.0669 -0.0023 127 PRO D CB 5416 C CG . PRO D 128 ? 0.3905 0.5383 0.4908 0.0689 -0.0503 -0.0089 127 PRO D CG 5417 C CD . PRO D 128 ? 0.3796 0.5070 0.4756 0.0819 -0.0429 -0.0054 127 PRO D CD 5418 N N . SER D 129 ? 0.4215 0.6161 0.5495 0.1017 -0.1060 0.0305 128 SER D N 5419 C CA . SER D 129 ? 0.4318 0.6547 0.5896 0.1137 -0.1237 0.0441 128 SER D CA 5420 C C . SER D 129 ? 0.4216 0.6828 0.6201 0.1103 -0.1267 0.0347 128 SER D C 5421 O O . SER D 129 ? 0.4165 0.6882 0.6070 0.0934 -0.1266 0.0222 128 SER D O 5422 C CB . SER D 129 ? 0.4500 0.6810 0.5764 0.1090 -0.1443 0.0559 128 SER D CB 5423 O OG . SER D 129 ? 0.5008 0.7650 0.6548 0.1182 -0.1653 0.0701 128 SER D OG 5424 N N . LYS D 130 ? 0.4178 0.6999 0.6636 0.1264 -0.1290 0.0405 129 LYS D N 5425 C CA . LYS D 130 ? 0.4077 0.7330 0.6993 0.1246 -0.1322 0.0331 129 LYS D CA 5426 C C . LYS D 130 ? 0.4145 0.7709 0.7017 0.1140 -0.1576 0.0375 129 LYS D C 5427 O O . LYS D 130 ? 0.4091 0.7951 0.7168 0.1010 -0.1595 0.0263 129 LYS D O 5428 C CB . LYS D 130 ? 0.4177 0.7614 0.7656 0.1473 -0.1314 0.0389 129 LYS D CB 5429 N N . ALA D 131 ? 0.4232 0.7741 0.6828 0.1183 -0.1770 0.0537 130 ALA D N 5430 C CA . ALA D 131 ? 0.4369 0.8176 0.6834 0.1071 -0.2023 0.0562 130 ALA D CA 5431 C C . ALA D 131 ? 0.4335 0.8044 0.6434 0.0831 -0.1973 0.0359 130 ALA D C 5432 O O . ALA D 131 ? 0.4354 0.8368 0.6568 0.0689 -0.2101 0.0254 130 ALA D O 5433 C CB . ALA D 131 ? 0.4593 0.8364 0.6773 0.1159 -0.2223 0.0796 130 ALA D CB 5434 N N . GLU D 132 ? 0.4223 0.7511 0.5930 0.0785 -0.1797 0.0299 131 GLU D N 5435 C CA . GLU D 132 ? 0.4215 0.7360 0.5625 0.0583 -0.1738 0.0109 131 GLU D CA 5436 C C . GLU D 132 ? 0.4084 0.7389 0.5853 0.0464 -0.1659 -0.0033 131 GLU D C 5437 O O . GLU D 132 ? 0.4067 0.7538 0.5861 0.0294 -0.1760 -0.0159 131 GLU D O 5438 C CB . GLU D 132 ? 0.4159 0.6847 0.5198 0.0580 -0.1544 0.0078 131 GLU D CB 5439 C CG . GLU D 132 ? 0.4157 0.6680 0.4951 0.0393 -0.1488 -0.0116 131 GLU D CG 5440 C CD . GLU D 132 ? 0.4361 0.6476 0.4916 0.0394 -0.1287 -0.0150 131 GLU D CD 5441 O OE1 . GLU D 132 ? 0.4628 0.6578 0.5182 0.0519 -0.1180 -0.0043 131 GLU D OE1 5442 O OE2 . GLU D 132 ? 0.4442 0.6396 0.4840 0.0268 -0.1243 -0.0293 131 GLU D OE2 5443 N N . ILE D 133 ? 0.3962 0.7226 0.6012 0.0546 -0.1474 -0.0015 132 ILE D N 5444 C CA . ILE D 133 ? 0.3849 0.7286 0.6245 0.0437 -0.1356 -0.0116 132 ILE D CA 5445 C C . ILE D 133 ? 0.3987 0.7903 0.6769 0.0362 -0.1536 -0.0141 132 ILE D C 5446 O O . ILE D 133 ? 0.4094 0.8108 0.6970 0.0160 -0.1537 -0.0256 132 ILE D O 5447 C CB . ILE D 133 ? 0.3727 0.7138 0.6371 0.0567 -0.1140 -0.0091 132 ILE D CB 5448 C CG1 . ILE D 133 ? 0.3675 0.6637 0.5943 0.0558 -0.0950 -0.0115 132 ILE D CG1 5449 C CG2 . ILE D 133 ? 0.3477 0.7223 0.6558 0.0470 -0.1033 -0.0167 132 ILE D CG2 5450 C CD1 . ILE D 133 ? 0.3645 0.6517 0.6035 0.0718 -0.0775 -0.0098 132 ILE D CD1 5451 N N . SER D 134 ? 0.4036 0.8253 0.7070 0.0517 -0.1701 -0.0025 133 SER D N 5452 C CA . SER D 134 ? 0.4101 0.8830 0.7565 0.0454 -0.1885 -0.0044 133 SER D CA 5453 C C . SER D 134 ? 0.4273 0.9093 0.7465 0.0286 -0.2128 -0.0111 133 SER D C 5454 O O . SER D 134 ? 0.4267 0.9453 0.7751 0.0141 -0.2261 -0.0196 133 SER D O 5455 C CB . SER D 134 ? 0.4178 0.9244 0.8092 0.0687 -0.1995 0.0108 133 SER D CB 5456 O OG . SER D 134 ? 0.4405 0.9328 0.8041 0.0844 -0.2153 0.0280 133 SER D OG 5457 N N . HIS D 135 ? 0.4388 0.8891 0.7028 0.0294 -0.2175 -0.0092 134 HIS D N 5458 C CA . HIS D 135 ? 0.4642 0.9243 0.6965 0.0147 -0.2397 -0.0184 134 HIS D CA 5459 C C . HIS D 135 ? 0.4622 0.8997 0.6768 -0.0087 -0.2308 -0.0422 134 HIS D C 5460 O O . HIS D 135 ? 0.4796 0.9379 0.6963 -0.0266 -0.2476 -0.0575 134 HIS D O 5461 C CB . HIS D 135 ? 0.4791 0.9216 0.6604 0.0256 -0.2483 -0.0058 134 HIS D CB 5462 C CG . HIS D 135 ? 0.5057 0.9716 0.6560 0.0138 -0.2743 -0.0122 134 HIS D CG 5463 N ND1 . HIS D 135 ? 0.5202 1.0363 0.6931 0.0143 -0.3028 -0.0042 134 HIS D ND1 5464 C CD2 . HIS D 135 ? 0.5121 0.9607 0.6099 0.0013 -0.2761 -0.0271 134 HIS D CD2 5465 C CE1 . HIS D 135 ? 0.5543 1.0832 0.6855 0.0012 -0.3218 -0.0142 134 HIS D CE1 5466 N NE2 . HIS D 135 ? 0.5548 1.0432 0.6401 -0.0065 -0.3048 -0.0295 134 HIS D NE2 5467 N N . THR D 136 ? 0.4447 0.8400 0.6451 -0.0086 -0.2056 -0.0450 135 THR D N 5468 C CA . THR D 136 ? 0.4501 0.8129 0.6281 -0.0267 -0.1964 -0.0638 135 THR D CA 5469 C C . THR D 136 ? 0.4351 0.7849 0.6423 -0.0363 -0.1756 -0.0665 135 THR D C 5470 O O . THR D 136 ? 0.4386 0.7660 0.6410 -0.0535 -0.1705 -0.0799 135 THR D O 5471 C CB . THR D 136 ? 0.4511 0.7715 0.5776 -0.0191 -0.1865 -0.0636 135 THR D CB 5472 O OG1 . THR D 136 ? 0.4317 0.7285 0.5594 -0.0050 -0.1658 -0.0500 135 THR D OG1 5473 C CG2 . THR D 136 ? 0.4660 0.7987 0.5585 -0.0104 -0.2035 -0.0573 135 THR D CG2 5474 N N . GLN D 137 ? 0.4213 0.7855 0.6590 -0.0252 -0.1637 -0.0534 136 GLN D N 5475 C CA . GLN D 137 ? 0.4097 0.7630 0.6670 -0.0317 -0.1403 -0.0520 136 GLN D CA 5476 C C . GLN D 137 ? 0.4007 0.7040 0.6195 -0.0313 -0.1241 -0.0522 136 GLN D C 5477 O O . GLN D 137 ? 0.4010 0.6880 0.6252 -0.0431 -0.1091 -0.0527 136 GLN D O 5478 C CB . GLN D 137 ? 0.4173 0.7924 0.7116 -0.0555 -0.1419 -0.0604 136 GLN D CB 5479 C CG . GLN D 137 ? 0.4546 0.8867 0.7987 -0.0560 -0.1545 -0.0588 136 GLN D CG 5480 C CD . GLN D 137 ? 0.4810 0.9378 0.8510 -0.0336 -0.1447 -0.0461 136 GLN D CD 5481 O OE1 . GLN D 137 ? 0.4766 0.9154 0.8411 -0.0256 -0.1216 -0.0409 136 GLN D OE1 5482 N NE2 . GLN D 137 ? 0.5012 1.0006 0.9013 -0.0233 -0.1634 -0.0421 136 GLN D NE2 5483 N N . LYS D 138 ? 0.3989 0.6801 0.5801 -0.0182 -0.1277 -0.0501 137 LYS D N 5484 C CA . LYS D 138 ? 0.3952 0.6338 0.5436 -0.0143 -0.1129 -0.0487 137 LYS D CA 5485 C C . LYS D 138 ? 0.3821 0.6145 0.5186 0.0067 -0.1064 -0.0364 137 LYS D C 5486 O O . LYS D 138 ? 0.3852 0.6420 0.5355 0.0189 -0.1158 -0.0288 137 LYS D O 5487 C CB . LYS D 138 ? 0.4107 0.6241 0.5263 -0.0217 -0.1203 -0.0611 137 LYS D CB 5488 C CG . LYS D 138 ? 0.4291 0.6457 0.5611 -0.0430 -0.1281 -0.0764 137 LYS D CG 5489 C CD . LYS D 138 ? 0.4582 0.6449 0.5623 -0.0497 -0.1313 -0.0929 137 LYS D CD 5490 C CE . LYS D 138 ? 0.4489 0.6258 0.5758 -0.0712 -0.1339 -0.1073 137 LYS D CE 5491 N NZ . LYS D 138 ? 0.5060 0.7205 0.6605 -0.0846 -0.1509 -0.1162 137 LYS D NZ 5492 N N . ALA D 139 ? 0.3659 0.5655 0.4802 0.0106 -0.0915 -0.0341 138 ALA D N 5493 C CA . ALA D 139 ? 0.3602 0.5490 0.4653 0.0278 -0.0834 -0.0246 138 ALA D CA 5494 C C . ALA D 139 ? 0.3622 0.5150 0.4302 0.0293 -0.0781 -0.0253 138 ALA D C 5495 O O . ALA D 139 ? 0.3562 0.4885 0.4158 0.0212 -0.0683 -0.0293 138 ALA D O 5496 C CB . ALA D 139 ? 0.3359 0.5311 0.4638 0.0305 -0.0664 -0.0225 138 ALA D CB 5497 N N . THR D 140 ? 0.3770 0.5243 0.4247 0.0392 -0.0849 -0.0197 139 THR D N 5498 C CA . THR D 140 ? 0.3861 0.5044 0.4017 0.0410 -0.0790 -0.0199 139 THR D CA 5499 C C . THR D 140 ? 0.3828 0.4869 0.3966 0.0534 -0.0691 -0.0099 139 THR D C 5500 O O . THR D 140 ? 0.3914 0.5041 0.4128 0.0644 -0.0743 0.0004 139 THR D O 5501 C CB . THR D 140 ? 0.4027 0.5247 0.3916 0.0405 -0.0911 -0.0211 139 THR D CB 5502 O OG1 . THR D 140 ? 0.3993 0.5375 0.3915 0.0286 -0.1023 -0.0338 139 THR D OG1 5503 C CG2 . THR D 140 ? 0.3982 0.4942 0.3589 0.0398 -0.0821 -0.0251 139 THR D CG2 5504 N N . LEU D 141 ? 0.3815 0.4638 0.3876 0.0513 -0.0563 -0.0128 140 LEU D N 5505 C CA . LEU D 141 ? 0.3840 0.4491 0.3842 0.0604 -0.0474 -0.0068 140 LEU D CA 5506 C C . LEU D 141 ? 0.3851 0.4339 0.3586 0.0612 -0.0486 -0.0038 140 LEU D C 5507 O O . LEU D 141 ? 0.3867 0.4299 0.3453 0.0538 -0.0494 -0.0110 140 LEU D O 5508 C CB . LEU D 141 ? 0.3726 0.4264 0.3754 0.0563 -0.0344 -0.0116 140 LEU D CB 5509 C CG . LEU D 141 ? 0.3800 0.4518 0.4064 0.0546 -0.0282 -0.0147 140 LEU D CG 5510 C CD1 . LEU D 141 ? 0.3931 0.4799 0.4294 0.0422 -0.0319 -0.0180 140 LEU D CD1 5511 C CD2 . LEU D 141 ? 0.3972 0.4580 0.4178 0.0529 -0.0151 -0.0176 140 LEU D CD2 5512 N N . VAL D 142 ? 0.3890 0.4308 0.3593 0.0700 -0.0481 0.0066 141 VAL D N 5513 C CA . VAL D 142 ? 0.3961 0.4243 0.3432 0.0693 -0.0458 0.0107 141 VAL D CA 5514 C C . VAL D 142 ? 0.4033 0.4107 0.3527 0.0720 -0.0350 0.0126 141 VAL D C 5515 O O . VAL D 142 ? 0.4066 0.4094 0.3730 0.0789 -0.0325 0.0166 141 VAL D O 5516 C CB . VAL D 142 ? 0.4159 0.4549 0.3513 0.0730 -0.0559 0.0241 141 VAL D CB 5517 C CG1 . VAL D 142 ? 0.4231 0.4492 0.3372 0.0721 -0.0501 0.0319 141 VAL D CG1 5518 C CG2 . VAL D 142 ? 0.3968 0.4576 0.3220 0.0667 -0.0673 0.0173 141 VAL D CG2 5519 N N . CYS D 143 ? 0.4007 0.3968 0.3358 0.0666 -0.0289 0.0076 142 CYS D N 5520 C CA . CYS D 143 ? 0.4081 0.3876 0.3437 0.0669 -0.0206 0.0089 142 CYS D CA 5521 C C . CYS D 143 ? 0.4162 0.3914 0.3382 0.0665 -0.0191 0.0179 142 CYS D C 5522 O O . CYS D 143 ? 0.4186 0.4024 0.3248 0.0632 -0.0205 0.0163 142 CYS D O 5523 C CB . CYS D 143 ? 0.4008 0.3743 0.3341 0.0609 -0.0158 -0.0010 142 CYS D CB 5524 S SG . CYS D 143 ? 0.4522 0.4104 0.3888 0.0600 -0.0083 -0.0012 142 CYS D SG 5525 N N . LEU D 144 ? 0.4136 0.3760 0.3426 0.0686 -0.0150 0.0256 143 LEU D N 5526 C CA . LEU D 144 ? 0.4365 0.3950 0.3561 0.0664 -0.0121 0.0375 143 LEU D CA 5527 C C . LEU D 144 ? 0.4281 0.3716 0.3559 0.0625 -0.0039 0.0350 143 LEU D C 5528 O O . LEU D 144 ? 0.4288 0.3594 0.3728 0.0647 -0.0029 0.0339 143 LEU D O 5529 C CB . LEU D 144 ? 0.4637 0.4210 0.3887 0.0722 -0.0184 0.0557 143 LEU D CB 5530 C CG . LEU D 144 ? 0.5126 0.4745 0.4208 0.0692 -0.0192 0.0746 143 LEU D CG 5531 C CD1 . LEU D 144 ? 0.5623 0.5445 0.4440 0.0636 -0.0188 0.0672 143 LEU D CD1 5532 C CD2 . LEU D 144 ? 0.5240 0.4872 0.4395 0.0765 -0.0299 0.0954 143 LEU D CD2 5533 N N . ALA D 145 ? 0.4197 0.3671 0.3389 0.0566 0.0017 0.0318 144 ALA D N 5534 C CA . ALA D 145 ? 0.4110 0.3491 0.3401 0.0515 0.0081 0.0310 144 ALA D CA 5535 C C . ALA D 145 ? 0.4249 0.3630 0.3498 0.0476 0.0126 0.0475 144 ALA D C 5536 O O . ALA D 145 ? 0.4341 0.3871 0.3417 0.0459 0.0148 0.0521 144 ALA D O 5537 C CB . ALA D 145 ? 0.3970 0.3429 0.3254 0.0482 0.0113 0.0186 144 ALA D CB 5538 N N . THR D 146 ? 0.4252 0.3472 0.3652 0.0451 0.0143 0.0563 145 THR D N 5539 C CA . THR D 146 ? 0.4457 0.3661 0.3834 0.0396 0.0186 0.0767 145 THR D CA 5540 C C . THR D 146 ? 0.4446 0.3545 0.4004 0.0304 0.0254 0.0775 145 THR D C 5541 O O . THR D 146 ? 0.4232 0.3233 0.3952 0.0293 0.0243 0.0626 145 THR D O 5542 C CB . THR D 146 ? 0.4684 0.3772 0.4096 0.0453 0.0114 0.0966 145 THR D CB 5543 O OG1 . THR D 146 ? 0.4934 0.3793 0.4604 0.0498 0.0084 0.0908 145 THR D OG1 5544 C CG2 . THR D 146 ? 0.4828 0.4071 0.4073 0.0532 0.0028 0.0981 145 THR D CG2 5545 N N . GLY D 147 ? 0.4578 0.3729 0.4100 0.0221 0.0323 0.0951 146 GLY D N 5546 C CA . GLY D 147 ? 0.4771 0.3830 0.4497 0.0108 0.0390 0.1007 146 GLY D CA 5547 C C . GLY D 147 ? 0.4587 0.3775 0.4420 0.0046 0.0444 0.0828 146 GLY D C 5548 O O . GLY D 147 ? 0.4784 0.3888 0.4838 -0.0046 0.0470 0.0824 146 GLY D O 5549 N N . PHE D 148 ? 0.4381 0.3772 0.4094 0.0096 0.0452 0.0684 147 PHE D N 5550 C CA . PHE D 148 ? 0.4146 0.3671 0.4007 0.0058 0.0480 0.0531 147 PHE D CA 5551 C C . PHE D 148 ? 0.4240 0.4017 0.4126 -0.0010 0.0608 0.0570 147 PHE D C 5552 O O . PHE D 148 ? 0.4324 0.4225 0.4019 -0.0016 0.0683 0.0676 147 PHE D O 5553 C CB . PHE D 148 ? 0.3935 0.3505 0.3745 0.0152 0.0406 0.0348 147 PHE D CB 5554 C CG . PHE D 148 ? 0.3767 0.3463 0.3367 0.0229 0.0415 0.0316 147 PHE D CG 5555 C CD1 . PHE D 148 ? 0.3844 0.3459 0.3273 0.0293 0.0352 0.0347 147 PHE D CD1 5556 C CD2 . PHE D 148 ? 0.3876 0.3777 0.3489 0.0240 0.0480 0.0225 147 PHE D CD2 5557 C CE1 . PHE D 148 ? 0.3627 0.3363 0.2875 0.0346 0.0346 0.0291 147 PHE D CE1 5558 C CE2 . PHE D 148 ? 0.3912 0.3909 0.3349 0.0305 0.0487 0.0149 147 PHE D CE2 5559 C CZ . PHE D 148 ? 0.3724 0.3636 0.2968 0.0347 0.0414 0.0179 147 PHE D CZ 5560 N N . TYR D 149 ? 0.4097 0.3983 0.4227 -0.0065 0.0631 0.0479 148 TYR D N 5561 C CA . TYR D 149 ? 0.4022 0.4199 0.4263 -0.0120 0.0761 0.0473 148 TYR D CA 5562 C C . TYR D 149 ? 0.3833 0.4126 0.4362 -0.0119 0.0714 0.0320 148 TYR D C 5563 O O . TYR D 149 ? 0.3862 0.4013 0.4530 -0.0159 0.0612 0.0286 148 TYR D O 5564 C CB . TYR D 149 ? 0.4295 0.4503 0.4616 -0.0268 0.0875 0.0670 148 TYR D CB 5565 C CG . TYR D 149 ? 0.4218 0.4788 0.4643 -0.0332 0.1045 0.0667 148 TYR D CG 5566 C CD1 . TYR D 149 ? 0.4404 0.5179 0.4569 -0.0325 0.1177 0.0727 148 TYR D CD1 5567 C CD2 . TYR D 149 ? 0.4077 0.4822 0.4867 -0.0399 0.1074 0.0585 148 TYR D CD2 5568 C CE1 . TYR D 149 ? 0.4569 0.5721 0.4837 -0.0381 0.1363 0.0691 148 TYR D CE1 5569 C CE2 . TYR D 149 ? 0.4281 0.5400 0.5223 -0.0448 0.1245 0.0565 148 TYR D CE2 5570 C CZ . TYR D 149 ? 0.4443 0.5762 0.5120 -0.0435 0.1402 0.0611 148 TYR D CZ 5571 O OH . TYR D 149 ? 0.4775 0.6496 0.5608 -0.0482 0.1597 0.0564 148 TYR D OH 5572 N N . PRO D 150 ? 0.3700 0.4256 0.4322 -0.0063 0.0776 0.0214 149 PRO D N 5573 C CA . PRO D 150 ? 0.3801 0.4527 0.4242 0.0002 0.0890 0.0178 149 PRO D CA 5574 C C . PRO D 150 ? 0.3763 0.4337 0.3962 0.0129 0.0791 0.0090 149 PRO D C 5575 O O . PRO D 150 ? 0.3701 0.4038 0.3818 0.0148 0.0663 0.0116 149 PRO D O 5576 C CB . PRO D 150 ? 0.3629 0.4664 0.4380 0.0024 0.0974 0.0053 149 PRO D CB 5577 C CG . PRO D 150 ? 0.3510 0.4471 0.4519 0.0047 0.0811 -0.0008 149 PRO D CG 5578 C CD . PRO D 150 ? 0.3510 0.4210 0.4448 -0.0046 0.0712 0.0096 149 PRO D CD 5579 N N . ASP D 151 ? 0.3908 0.4628 0.4015 0.0205 0.0858 -0.0025 150 ASP D N 5580 C CA . ASP D 151 ? 0.4095 0.4681 0.3966 0.0293 0.0776 -0.0096 150 ASP D CA 5581 C C . ASP D 151 ? 0.4003 0.4492 0.4030 0.0388 0.0657 -0.0226 150 ASP D C 5582 O O . ASP D 151 ? 0.4135 0.4566 0.4045 0.0458 0.0619 -0.0323 150 ASP D O 5583 C CB . ASP D 151 ? 0.4317 0.5080 0.3954 0.0309 0.0894 -0.0168 150 ASP D CB 5584 C CG . ASP D 151 ? 0.4700 0.5724 0.4538 0.0353 0.1028 -0.0353 150 ASP D CG 5585 O OD1 . ASP D 151 ? 0.4900 0.5996 0.5095 0.0375 0.1032 -0.0400 150 ASP D OD1 5586 O OD2 . ASP D 151 ? 0.5454 0.6643 0.5098 0.0366 0.1135 -0.0465 150 ASP D OD2 5587 N N . HIS D 152 ? 0.3904 0.4378 0.4193 0.0380 0.0585 -0.0216 151 HIS D N 5588 C CA . HIS D 152 ? 0.3794 0.4206 0.4244 0.0463 0.0465 -0.0296 151 HIS D CA 5589 C C . HIS D 152 ? 0.3851 0.4036 0.4152 0.0453 0.0323 -0.0236 151 HIS D C 5590 O O . HIS D 152 ? 0.3860 0.3999 0.4236 0.0404 0.0239 -0.0185 151 HIS D O 5591 C CB . HIS D 152 ? 0.3609 0.4192 0.4429 0.0467 0.0451 -0.0316 151 HIS D CB 5592 C CG . HIS D 152 ? 0.3719 0.4538 0.4760 0.0532 0.0581 -0.0433 151 HIS D CG 5593 N ND1 . HIS D 152 ? 0.3477 0.4415 0.4891 0.0620 0.0535 -0.0503 151 HIS D ND1 5594 C CD2 . HIS D 152 ? 0.3616 0.4588 0.4556 0.0529 0.0758 -0.0503 151 HIS D CD2 5595 C CE1 . HIS D 152 ? 0.3720 0.4870 0.5294 0.0679 0.0693 -0.0635 151 HIS D CE1 5596 N NE2 . HIS D 152 ? 0.3797 0.4980 0.5059 0.0618 0.0837 -0.0647 151 HIS D NE2 5597 N N . VAL D 153 ? 0.3892 0.3959 0.3979 0.0490 0.0301 -0.0259 152 VAL D N 5598 C CA . VAL D 153 ? 0.3839 0.3733 0.3802 0.0483 0.0190 -0.0215 152 VAL D CA 5599 C C . VAL D 153 ? 0.3853 0.3671 0.3792 0.0542 0.0130 -0.0276 152 VAL D C 5600 O O . VAL D 153 ? 0.3874 0.3732 0.3813 0.0585 0.0180 -0.0368 152 VAL D O 5601 C CB . VAL D 153 ? 0.3872 0.3680 0.3621 0.0444 0.0209 -0.0141 152 VAL D CB 5602 C CG1 . VAL D 153 ? 0.3881 0.3691 0.3696 0.0371 0.0247 -0.0063 152 VAL D CG1 5603 C CG2 . VAL D 153 ? 0.4010 0.3872 0.3586 0.0465 0.0273 -0.0157 152 VAL D CG2 5604 N N . GLU D 154 ? 0.3814 0.3527 0.3731 0.0531 0.0028 -0.0232 153 GLU D N 5605 C CA . GLU D 154 ? 0.3903 0.3525 0.3806 0.0559 -0.0033 -0.0254 153 GLU D CA 5606 C C . GLU D 154 ? 0.3737 0.3289 0.3452 0.0518 -0.0061 -0.0207 153 GLU D C 5607 O O . GLU D 154 ? 0.3627 0.3166 0.3304 0.0479 -0.0096 -0.0152 153 GLU D O 5608 C CB . GLU D 154 ? 0.3964 0.3562 0.4059 0.0577 -0.0128 -0.0212 153 GLU D CB 5609 C CG . GLU D 154 ? 0.4703 0.4394 0.5074 0.0644 -0.0106 -0.0266 153 GLU D CG 5610 C CD . GLU D 154 ? 0.5679 0.5381 0.6284 0.0669 -0.0230 -0.0178 153 GLU D CD 5611 O OE1 . GLU D 154 ? 0.5570 0.5256 0.6079 0.0611 -0.0328 -0.0065 153 GLU D OE1 5612 O OE2 . GLU D 154 ? 0.6215 0.5966 0.7114 0.0753 -0.0229 -0.0225 153 GLU D OE2 5613 N N . LEU D 155 ? 0.3727 0.3261 0.3337 0.0526 -0.0044 -0.0247 154 LEU D N 5614 C CA . LEU D 155 ? 0.3697 0.3204 0.3183 0.0501 -0.0069 -0.0211 154 LEU D CA 5615 C C . LEU D 155 ? 0.3741 0.3195 0.3267 0.0481 -0.0129 -0.0215 154 LEU D C 5616 O O . LEU D 155 ? 0.3835 0.3255 0.3426 0.0493 -0.0142 -0.0283 154 LEU D O 5617 C CB . LEU D 155 ? 0.3725 0.3285 0.3086 0.0514 -0.0034 -0.0227 154 LEU D CB 5618 C CG . LEU D 155 ? 0.3764 0.3329 0.3055 0.0509 -0.0059 -0.0173 154 LEU D CG 5619 C CD1 . LEU D 155 ? 0.3598 0.3214 0.2793 0.0528 -0.0035 -0.0121 154 LEU D CD1 5620 C CD2 . LEU D 155 ? 0.3507 0.3088 0.2812 0.0492 -0.0114 -0.0207 154 LEU D CD2 5621 N N . SER D 156 ? 0.3669 0.3118 0.3166 0.0442 -0.0156 -0.0153 155 SER D N 5622 C CA . SER D 156 ? 0.3627 0.3045 0.3164 0.0398 -0.0202 -0.0122 155 SER D CA 5623 C C . SER D 156 ? 0.3561 0.3053 0.3027 0.0362 -0.0184 -0.0101 155 SER D C 5624 O O . SER D 156 ? 0.3273 0.2813 0.2678 0.0379 -0.0147 -0.0105 155 SER D O 5625 C CB . SER D 156 ? 0.3740 0.3114 0.3349 0.0372 -0.0255 -0.0036 155 SER D CB 5626 O OG . SER D 156 ? 0.3535 0.2978 0.3054 0.0345 -0.0253 0.0010 155 SER D OG 5627 N N . TRP D 157 ? 0.3553 0.3053 0.3068 0.0312 -0.0208 -0.0088 156 TRP D N 5628 C CA . TRP D 157 ? 0.3499 0.3115 0.3004 0.0275 -0.0182 -0.0074 156 TRP D CA 5629 C C . TRP D 157 ? 0.3615 0.3261 0.3123 0.0186 -0.0180 0.0017 156 TRP D C 5630 O O . TRP D 157 ? 0.3744 0.3294 0.3311 0.0138 -0.0228 0.0087 156 TRP D O 5631 C CB . TRP D 157 ? 0.3482 0.3141 0.3058 0.0263 -0.0210 -0.0127 156 TRP D CB 5632 C CG . TRP D 157 ? 0.3425 0.3131 0.2953 0.0334 -0.0215 -0.0189 156 TRP D CG 5633 C CD1 . TRP D 157 ? 0.3252 0.2913 0.2736 0.0363 -0.0238 -0.0255 156 TRP D CD1 5634 C CD2 . TRP D 157 ? 0.3141 0.2964 0.2663 0.0383 -0.0200 -0.0178 156 TRP D CD2 5635 N NE1 . TRP D 157 ? 0.3334 0.3092 0.2741 0.0412 -0.0243 -0.0258 156 TRP D NE1 5636 C CE2 . TRP D 157 ? 0.3065 0.2905 0.2518 0.0431 -0.0231 -0.0200 156 TRP D CE2 5637 C CE3 . TRP D 157 ? 0.2994 0.2918 0.2578 0.0394 -0.0159 -0.0156 156 TRP D CE3 5638 C CZ2 . TRP D 157 ? 0.3369 0.3304 0.2824 0.0492 -0.0247 -0.0159 156 TRP D CZ2 5639 C CZ3 . TRP D 157 ? 0.3027 0.3033 0.2660 0.0471 -0.0164 -0.0150 156 TRP D CZ3 5640 C CH2 . TRP D 157 ? 0.3211 0.3210 0.2783 0.0520 -0.0219 -0.0130 156 TRP D CH2 5641 N N . TRP D 158 ? 0.3545 0.3329 0.2993 0.0164 -0.0119 0.0020 157 TRP D N 5642 C CA . TRP D 158 ? 0.3683 0.3553 0.3076 0.0065 -0.0095 0.0111 157 TRP D CA 5643 C C . TRP D 158 ? 0.3669 0.3737 0.3115 0.0029 -0.0015 0.0078 157 TRP D C 5644 O O . TRP D 158 ? 0.3740 0.3888 0.3226 0.0107 0.0030 -0.0022 157 TRP D O 5645 C CB . TRP D 158 ? 0.3692 0.3585 0.2928 0.0063 -0.0085 0.0121 157 TRP D CB 5646 C CG . TRP D 158 ? 0.3754 0.3498 0.2996 0.0101 -0.0169 0.0156 157 TRP D CG 5647 C CD1 . TRP D 158 ? 0.3543 0.3194 0.2843 0.0190 -0.0183 0.0079 157 TRP D CD1 5648 C CD2 . TRP D 158 ? 0.3710 0.3412 0.2930 0.0053 -0.0250 0.0291 157 TRP D CD2 5649 N NE1 . TRP D 158 ? 0.3821 0.3393 0.3161 0.0204 -0.0252 0.0132 157 TRP D NE1 5650 C CE2 . TRP D 158 ? 0.3577 0.3170 0.2883 0.0130 -0.0307 0.0265 157 TRP D CE2 5651 C CE3 . TRP D 158 ? 0.3703 0.3469 0.2842 -0.0050 -0.0282 0.0450 157 TRP D CE3 5652 C CZ2 . TRP D 158 ? 0.3705 0.3253 0.3069 0.0127 -0.0406 0.0379 157 TRP D CZ2 5653 C CZ3 . TRP D 158 ? 0.3977 0.3676 0.3138 -0.0060 -0.0395 0.0594 157 TRP D CZ3 5654 C CH2 . TRP D 158 ? 0.3956 0.3545 0.3253 0.0038 -0.0461 0.0551 157 TRP D CH2 5655 N N . VAL D 159 ? 0.3605 0.3750 0.3093 -0.0085 -0.0002 0.0175 158 VAL D N 5656 C CA . VAL D 159 ? 0.3542 0.3928 0.3109 -0.0143 0.0090 0.0158 158 VAL D CA 5657 C C . VAL D 159 ? 0.3739 0.4250 0.3155 -0.0267 0.0152 0.0273 158 VAL D C 5658 O O . VAL D 159 ? 0.3896 0.4306 0.3280 -0.0366 0.0092 0.0441 158 VAL D O 5659 C CB . VAL D 159 ? 0.3614 0.4025 0.3402 -0.0197 0.0053 0.0172 158 VAL D CB 5660 C CG1 . VAL D 159 ? 0.3533 0.4248 0.3454 -0.0272 0.0157 0.0167 158 VAL D CG1 5661 C CG2 . VAL D 159 ? 0.3341 0.3678 0.3219 -0.0082 -0.0017 0.0057 158 VAL D CG2 5662 N N . ASN D 160 ? 0.3596 0.4318 0.2909 -0.0258 0.0267 0.0182 159 ASN D N 5663 C CA . ASN D 160 ? 0.3821 0.4732 0.2935 -0.0385 0.0346 0.0265 159 ASN D CA 5664 C C . ASN D 160 ? 0.3915 0.4684 0.2808 -0.0433 0.0245 0.0407 159 ASN D C 5665 O O . ASN D 160 ? 0.4181 0.5028 0.2950 -0.0572 0.0241 0.0597 159 ASN D O 5666 C CB . ASN D 160 ? 0.3954 0.5050 0.3180 -0.0532 0.0414 0.0392 159 ASN D CB 5667 C CG . ASN D 160 ? 0.4214 0.5568 0.3664 -0.0495 0.0537 0.0242 159 ASN D CG 5668 O OD1 . ASN D 160 ? 0.4242 0.5658 0.3729 -0.0361 0.0591 0.0049 159 ASN D OD1 5669 N ND2 . ASN D 160 ? 0.4455 0.5959 0.4099 -0.0615 0.0576 0.0336 159 ASN D ND2 5670 N N . GLY D 161 ? 0.3765 0.4345 0.2629 -0.0322 0.0159 0.0332 160 GLY D N 5671 C CA . GLY D 161 ? 0.3917 0.4402 0.2613 -0.0346 0.0052 0.0442 160 GLY D CA 5672 C C . GLY D 161 ? 0.3983 0.4241 0.2807 -0.0356 -0.0083 0.0628 160 GLY D C 5673 O O . GLY D 161 ? 0.4021 0.4224 0.2757 -0.0380 -0.0185 0.0762 160 GLY D O 5674 N N . LYS D 162 ? 0.4026 0.4165 0.3080 -0.0336 -0.0090 0.0625 161 LYS D N 5675 C CA . LYS D 162 ? 0.4289 0.4190 0.3518 -0.0342 -0.0204 0.0755 161 LYS D CA 5676 C C . LYS D 162 ? 0.4133 0.3881 0.3547 -0.0225 -0.0224 0.0588 161 LYS D C 5677 O O . LYS D 162 ? 0.3984 0.3823 0.3451 -0.0200 -0.0158 0.0456 161 LYS D O 5678 C CB . LYS D 162 ? 0.4484 0.4397 0.3810 -0.0490 -0.0195 0.0934 161 LYS D CB 5679 C CG . LYS D 162 ? 0.5026 0.5101 0.4137 -0.0626 -0.0180 0.1150 161 LYS D CG 5680 C CD . LYS D 162 ? 0.5784 0.5794 0.5023 -0.0779 -0.0205 0.1397 161 LYS D CD 5681 C CE . LYS D 162 ? 0.6197 0.6415 0.5159 -0.0929 -0.0185 0.1643 161 LYS D CE 5682 N NZ . LYS D 162 ? 0.6782 0.6920 0.5865 -0.1099 -0.0217 0.1948 161 LYS D NZ 5683 N N . GLU D 163 ? 0.4216 0.3760 0.3728 -0.0152 -0.0318 0.0598 162 GLU D N 5684 C CA . GLU D 163 ? 0.4225 0.3650 0.3864 -0.0045 -0.0330 0.0434 162 GLU D CA 5685 C C . GLU D 163 ? 0.4213 0.3560 0.4031 -0.0090 -0.0338 0.0395 162 GLU D C 5686 O O . GLU D 163 ? 0.4305 0.3564 0.4240 -0.0184 -0.0377 0.0523 162 GLU D O 5687 C CB . GLU D 163 ? 0.4414 0.3682 0.4141 0.0037 -0.0408 0.0446 162 GLU D CB 5688 C CG . GLU D 163 ? 0.4563 0.3780 0.4352 0.0151 -0.0386 0.0256 162 GLU D CG 5689 C CD . GLU D 163 ? 0.4955 0.4080 0.4860 0.0238 -0.0436 0.0249 162 GLU D CD 5690 O OE1 . GLU D 163 ? 0.4968 0.4057 0.4933 0.0225 -0.0511 0.0397 162 GLU D OE1 5691 O OE2 . GLU D 163 ? 0.5256 0.4372 0.5201 0.0318 -0.0400 0.0102 162 GLU D OE2 5692 N N . VAL D 164 ? 0.4184 0.3573 0.4024 -0.0035 -0.0312 0.0226 163 VAL D N 5693 C CA . VAL D 164 ? 0.4250 0.3589 0.4254 -0.0080 -0.0340 0.0144 163 VAL D CA 5694 C C . VAL D 164 ? 0.4181 0.3400 0.4227 0.0014 -0.0373 -0.0020 163 VAL D C 5695 O O . VAL D 164 ? 0.4048 0.3308 0.3973 0.0113 -0.0346 -0.0083 163 VAL D O 5696 C CB . VAL D 164 ? 0.4258 0.3826 0.4266 -0.0127 -0.0294 0.0095 163 VAL D CB 5697 C CG1 . VAL D 164 ? 0.4437 0.4161 0.4420 -0.0228 -0.0230 0.0236 163 VAL D CG1 5698 C CG2 . VAL D 164 ? 0.3832 0.3530 0.3721 -0.0015 -0.0260 -0.0008 163 VAL D CG2 5699 N N . HIS D 165 ? 0.4184 0.3256 0.4407 -0.0025 -0.0424 -0.0095 164 HIS D N 5700 C CA . HIS D 165 ? 0.4200 0.3185 0.4461 0.0048 -0.0440 -0.0292 164 HIS D CA 5701 C C . HIS D 165 ? 0.4275 0.3326 0.4581 -0.0016 -0.0471 -0.0450 164 HIS D C 5702 O O . HIS D 165 ? 0.4370 0.3498 0.4572 0.0038 -0.0469 -0.0619 164 HIS D O 5703 C CB . HIS D 165 ? 0.4394 0.3119 0.4866 0.0076 -0.0480 -0.0296 164 HIS D CB 5704 C CG . HIS D 165 ? 0.4580 0.3270 0.5038 0.0142 -0.0480 -0.0139 164 HIS D CG 5705 N ND1 . HIS D 165 ? 0.4617 0.3388 0.4969 0.0254 -0.0439 -0.0196 164 HIS D ND1 5706 C CD2 . HIS D 165 ? 0.4714 0.3329 0.5239 0.0099 -0.0524 0.0085 164 HIS D CD2 5707 C CE1 . HIS D 165 ? 0.4656 0.3407 0.5034 0.0279 -0.0468 -0.0034 164 HIS D CE1 5708 N NE2 . HIS D 165 ? 0.4909 0.3569 0.5373 0.0190 -0.0525 0.0143 164 HIS D NE2 5709 N N . SER D 166 ? 0.4207 0.3251 0.4667 -0.0145 -0.0503 -0.0389 165 SER D N 5710 C CA . SER D 166 ? 0.4382 0.3531 0.4917 -0.0231 -0.0550 -0.0530 165 SER D CA 5711 C C . SER D 166 ? 0.4214 0.3662 0.4567 -0.0185 -0.0537 -0.0557 165 SER D C 5712 O O . SER D 166 ? 0.4020 0.3601 0.4287 -0.0151 -0.0483 -0.0419 165 SER D O 5713 C CB . SER D 166 ? 0.4481 0.3606 0.5244 -0.0397 -0.0573 -0.0417 165 SER D CB 5714 O OG . SER D 166 ? 0.4883 0.4166 0.5741 -0.0489 -0.0627 -0.0554 165 SER D OG 5715 N N . GLY D 167 ? 0.4290 0.3842 0.4589 -0.0179 -0.0592 -0.0740 166 GLY D N 5716 C CA . GLY D 167 ? 0.4136 0.3970 0.4290 -0.0132 -0.0612 -0.0744 166 GLY D CA 5717 C C . GLY D 167 ? 0.4062 0.3919 0.3976 0.0008 -0.0558 -0.0706 166 GLY D C 5718 O O . GLY D 167 ? 0.3974 0.4027 0.3789 0.0061 -0.0570 -0.0653 166 GLY D O 5719 N N . VAL D 168 ? 0.4149 0.3815 0.4007 0.0066 -0.0505 -0.0725 167 VAL D N 5720 C CA . VAL D 168 ? 0.4164 0.3851 0.3830 0.0178 -0.0444 -0.0682 167 VAL D CA 5721 C C . VAL D 168 ? 0.4406 0.4096 0.3936 0.0216 -0.0435 -0.0848 167 VAL D C 5722 O O . VAL D 168 ? 0.4650 0.4211 0.4277 0.0192 -0.0438 -0.1001 167 VAL D O 5723 C CB . VAL D 168 ? 0.4079 0.3605 0.3792 0.0217 -0.0380 -0.0571 167 VAL D CB 5724 C CG1 . VAL D 168 ? 0.4051 0.3588 0.3616 0.0312 -0.0319 -0.0559 167 VAL D CG1 5725 C CG2 . VAL D 168 ? 0.3827 0.3394 0.3596 0.0180 -0.0365 -0.0413 167 VAL D CG2 5726 N N A CYS D 169 ? 0.4395 0.4234 0.3717 0.0272 -0.0416 -0.0816 168 CYS D N 5727 N N B CYS D 169 ? 0.4441 0.4281 0.3759 0.0271 -0.0417 -0.0822 168 CYS D N 5728 C CA A CYS D 169 ? 0.4581 0.4445 0.3741 0.0314 -0.0359 -0.0928 168 CYS D CA 5729 C CA B CYS D 169 ? 0.4662 0.4516 0.3827 0.0315 -0.0355 -0.0936 168 CYS D CA 5730 C C A CYS D 169 ? 0.4481 0.4388 0.3516 0.0383 -0.0288 -0.0773 168 CYS D C 5731 C C B CYS D 169 ? 0.4572 0.4504 0.3574 0.0380 -0.0289 -0.0797 168 CYS D C 5732 O O A CYS D 169 ? 0.4385 0.4372 0.3370 0.0398 -0.0315 -0.0621 168 CYS D O 5733 O O B CYS D 169 ? 0.4556 0.4615 0.3448 0.0390 -0.0326 -0.0671 168 CYS D O 5734 C CB A CYS D 169 ? 0.4783 0.4832 0.3764 0.0270 -0.0418 -0.1078 168 CYS D CB 5735 C CB B CYS D 169 ? 0.4912 0.4891 0.3949 0.0267 -0.0400 -0.1151 168 CYS D CB 5736 S SG A CYS D 169 ? 0.5005 0.5065 0.3861 0.0284 -0.0331 -0.1343 168 CYS D SG 5737 S SG B CYS D 169 ? 0.5230 0.5523 0.3980 0.0244 -0.0488 -0.1099 168 CYS D SG 5738 N N . THR D 170 ? 0.4572 0.4423 0.3603 0.0424 -0.0196 -0.0817 169 THR D N 5739 C CA . THR D 170 ? 0.4486 0.4383 0.3421 0.0467 -0.0119 -0.0691 169 THR D CA 5740 C C . THR D 170 ? 0.4712 0.4747 0.3474 0.0470 -0.0043 -0.0805 169 THR D C 5741 O O . THR D 170 ? 0.4831 0.4850 0.3654 0.0471 -0.0009 -0.1007 169 THR D O 5742 C CB . THR D 170 ? 0.4303 0.4056 0.3426 0.0498 -0.0074 -0.0637 169 THR D CB 5743 O OG1 . THR D 170 ? 0.4228 0.3893 0.3459 0.0479 -0.0136 -0.0536 169 THR D OG1 5744 C CG2 . THR D 170 ? 0.4041 0.3845 0.3111 0.0523 0.0005 -0.0532 169 THR D CG2 5745 N N . ASP D 171 ? 0.4822 0.4996 0.3381 0.0467 -0.0011 -0.0677 170 ASP D N 5746 C CA . ASP D 171 ? 0.5129 0.5485 0.3479 0.0451 0.0086 -0.0750 170 ASP D CA 5747 C C . ASP D 171 ? 0.5175 0.5489 0.3701 0.0485 0.0207 -0.0901 170 ASP D C 5748 O O . ASP D 171 ? 0.4954 0.5137 0.3704 0.0519 0.0226 -0.0821 170 ASP D O 5749 C CB . ASP D 171 ? 0.5123 0.5574 0.3313 0.0439 0.0126 -0.0513 170 ASP D CB 5750 C CG . ASP D 171 ? 0.5240 0.5706 0.3342 0.0435 -0.0001 -0.0321 170 ASP D CG 5751 O OD1 . ASP D 171 ? 0.5507 0.6023 0.3574 0.0424 -0.0116 -0.0390 170 ASP D OD1 5752 O OD2 . ASP D 171 ? 0.5147 0.5572 0.3256 0.0445 0.0006 -0.0101 170 ASP D OD2 5753 N N . PRO D 172 ? 0.5541 0.5991 0.3980 0.0480 0.0287 -0.1131 171 PRO D N 5754 C CA . PRO D 172 ? 0.5685 0.6108 0.4366 0.0535 0.0403 -0.1297 171 PRO D CA 5755 C C . PRO D 172 ? 0.5735 0.6251 0.4468 0.0546 0.0521 -0.1149 171 PRO D C 5756 O O . PRO D 172 ? 0.5825 0.6262 0.4861 0.0599 0.0556 -0.1159 171 PRO D O 5757 C CB . PRO D 172 ? 0.5989 0.6596 0.4511 0.0520 0.0486 -0.1591 171 PRO D CB 5758 C CG . PRO D 172 ? 0.6086 0.6804 0.4270 0.0443 0.0380 -0.1576 171 PRO D CG 5759 C CD . PRO D 172 ? 0.5845 0.6529 0.3944 0.0424 0.0292 -0.1236 171 PRO D CD 5760 N N . GLN D 173 ? 0.5964 0.6651 0.4424 0.0488 0.0568 -0.0991 172 GLN D N 5761 C CA . GLN D 173 ? 0.6007 0.6780 0.4528 0.0470 0.0680 -0.0828 172 GLN D CA 5762 C C . GLN D 173 ? 0.5993 0.6719 0.4358 0.0417 0.0612 -0.0528 172 GLN D C 5763 O O . GLN D 173 ? 0.6057 0.6820 0.4166 0.0388 0.0527 -0.0453 172 GLN D O 5764 C CB . GLN D 173 ? 0.6347 0.7422 0.4737 0.0441 0.0870 -0.0955 172 GLN D CB 5765 N N . PRO D 174 ? 0.5906 0.6543 0.4460 0.0407 0.0634 -0.0363 173 PRO D N 5766 C CA . PRO D 174 ? 0.5872 0.6437 0.4338 0.0359 0.0589 -0.0093 173 PRO D CA 5767 C C . PRO D 174 ? 0.6140 0.6917 0.4313 0.0285 0.0671 0.0043 173 PRO D C 5768 O O . PRO D 174 ? 0.6376 0.7390 0.4453 0.0254 0.0812 -0.0070 173 PRO D O 5769 C CB . PRO D 174 ? 0.5750 0.6224 0.4503 0.0345 0.0633 -0.0021 173 PRO D CB 5770 C CG . PRO D 174 ? 0.5620 0.6028 0.4622 0.0413 0.0603 -0.0216 173 PRO D CG 5771 C CD . PRO D 174 ? 0.5707 0.6268 0.4611 0.0446 0.0663 -0.0428 173 PRO D CD 5772 N N . LEU D 175 ? 0.6137 0.6846 0.4174 0.0258 0.0585 0.0287 174 LEU D N 5773 C CA . LEU D 175 ? 0.6429 0.7330 0.4181 0.0175 0.0645 0.0491 174 LEU D CA 5774 C C . LEU D 175 ? 0.6439 0.7256 0.4326 0.0103 0.0712 0.0758 174 LEU D C 5775 O O . LEU D 175 ? 0.6256 0.6817 0.4424 0.0128 0.0657 0.0816 174 LEU D O 5776 C CB . LEU D 175 ? 0.6609 0.7552 0.4087 0.0186 0.0492 0.0603 174 LEU D CB 5777 C CG . LEU D 175 ? 0.6619 0.7331 0.4220 0.0243 0.0316 0.0790 174 LEU D CG 5778 C CD1 . LEU D 175 ? 0.7086 0.7702 0.4728 0.0195 0.0330 0.1126 174 LEU D CD1 5779 C CD2 . LEU D 175 ? 0.6900 0.7749 0.4263 0.0266 0.0162 0.0792 174 LEU D CD2 5780 N N . LYS D 176 ? 0.6669 0.7708 0.4351 0.0002 0.0837 0.0913 175 LYS D N 5781 C CA . LYS D 176 ? 0.6692 0.7668 0.4514 -0.0094 0.0917 0.1177 175 LYS D CA 5782 C C . LYS D 176 ? 0.6830 0.7620 0.4578 -0.0108 0.0782 0.1517 175 LYS D C 5783 O O . LYS D 176 ? 0.7052 0.7980 0.4471 -0.0117 0.0715 0.1659 175 LYS D O 5784 C CB . LYS D 176 ? 0.7009 0.8335 0.4667 -0.0214 0.1133 0.1210 175 LYS D CB 5785 C CG . LYS D 176 ? 0.6899 0.8393 0.4779 -0.0196 0.1289 0.0902 175 LYS D CG 5786 C CD . LYS D 176 ? 0.7501 0.9364 0.5286 -0.0325 0.1531 0.0958 175 LYS D CD 5787 C CE . LYS D 176 ? 0.7338 0.9354 0.5485 -0.0297 0.1680 0.0687 175 LYS D CE 5788 N NZ . LYS D 176 ? 0.7819 1.0252 0.5900 -0.0418 0.1940 0.0709 175 LYS D NZ 5789 N N . GLU D 177 ? 0.6676 0.7156 0.4750 -0.0106 0.0734 0.1639 176 GLU D N 5790 C CA . GLU D 177 ? 0.6841 0.7084 0.4958 -0.0094 0.0603 0.1944 176 GLU D CA 5791 C C . GLU D 177 ? 0.7341 0.7669 0.5324 -0.0233 0.0681 0.2308 176 GLU D C 5792 O O . GLU D 177 ? 0.7592 0.7844 0.5462 -0.0226 0.0565 0.2609 176 GLU D O 5793 C CB . GLU D 177 ? 0.6563 0.6440 0.5097 -0.0046 0.0540 0.1895 176 GLU D CB 5794 C CG . GLU D 177 ? 0.6013 0.5846 0.4664 0.0060 0.0490 0.1553 176 GLU D CG 5795 C CD . GLU D 177 ? 0.5563 0.5071 0.4545 0.0117 0.0408 0.1494 176 GLU D CD 5796 O OE1 . GLU D 177 ? 0.5476 0.4777 0.4681 0.0057 0.0426 0.1637 176 GLU D OE1 5797 O OE2 . GLU D 177 ? 0.5126 0.4595 0.4149 0.0214 0.0334 0.1289 176 GLU D OE2 5798 N N . GLN D 178 ? 0.7464 0.7958 0.5490 -0.0361 0.0874 0.2296 177 GLN D N 5799 C CA . GLN D 178 ? 0.8002 0.8662 0.5866 -0.0527 0.0997 0.2630 177 GLN D CA 5800 C C . GLN D 178 ? 0.8070 0.9187 0.5710 -0.0615 0.1218 0.2464 177 GLN D C 5801 O O . GLN D 178 ? 0.7995 0.9200 0.5877 -0.0710 0.1386 0.2407 177 GLN D O 5802 C CB . GLN D 178 ? 0.8111 0.8485 0.6374 -0.0634 0.1037 0.2843 177 GLN D CB 5803 C CG . GLN D 178 ? 0.8370 0.8270 0.6927 -0.0549 0.0846 0.2974 177 GLN D CG 5804 C CD . GLN D 178 ? 0.9157 0.8967 0.7528 -0.0541 0.0718 0.3379 177 GLN D CD 5805 O OE1 . GLN D 178 ? 0.9973 0.9800 0.8291 -0.0688 0.0780 0.3751 177 GLN D OE1 5806 N NE2 . GLN D 178 ? 0.9250 0.8975 0.7547 -0.0374 0.0531 0.3329 177 GLN D NE2 5807 N N . PRO D 179 ? 0.8255 0.9682 0.5457 -0.0586 0.1219 0.2367 178 PRO D N 5808 C CA . PRO D 179 ? 0.8413 1.0301 0.5366 -0.0655 0.1437 0.2168 178 PRO D CA 5809 C C . PRO D 179 ? 0.8768 1.0906 0.5690 -0.0852 0.1667 0.2412 178 PRO D C 5810 O O . PRO D 179 ? 0.8702 1.1149 0.5692 -0.0900 0.1887 0.2191 178 PRO D O 5811 C CB . PRO D 179 ? 0.8664 1.0784 0.5091 -0.0627 0.1347 0.2159 178 PRO D CB 5812 C CG . PRO D 179 ? 0.8515 1.0298 0.5042 -0.0483 0.1079 0.2161 178 PRO D CG 5813 C CD . PRO D 179 ? 0.8372 0.9744 0.5307 -0.0484 0.1004 0.2421 178 PRO D CD 5814 N N . ALA D 180 ? 0.9195 1.1205 0.6053 -0.0965 0.1620 0.2871 179 ALA D N 5815 C CA . ALA D 180 ? 0.9655 1.1878 0.6503 -0.1182 0.1834 0.3169 179 ALA D CA 5816 C C . ALA D 180 ? 0.9451 1.1556 0.6862 -0.1249 0.1964 0.3087 179 ALA D C 5817 O O . ALA D 180 ? 0.9717 1.2092 0.7183 -0.1430 0.2188 0.3221 179 ALA D O 5818 C CB . ALA D 180 ? 1.0112 1.2165 0.6792 -0.1284 0.1720 0.3723 179 ALA D CB 5819 N N . LEU D 181 ? 0.9066 1.0805 0.6887 -0.1115 0.1822 0.2864 180 LEU D N 5820 C CA . LEU D 181 ? 0.8913 1.0493 0.7276 -0.1183 0.1884 0.2812 180 LEU D CA 5821 C C . LEU D 181 ? 0.8549 1.0374 0.7159 -0.1121 0.2002 0.2384 180 LEU D C 5822 O O . LEU D 181 ? 0.8304 1.0227 0.6773 -0.0962 0.1960 0.2067 180 LEU D O 5823 C CB . LEU D 181 ? 0.8768 0.9791 0.7454 -0.1105 0.1655 0.2873 180 LEU D CB 5824 C CG . LEU D 181 ? 0.9237 0.9936 0.7965 -0.1204 0.1567 0.3330 180 LEU D CG 5825 C CD1 . LEU D 181 ? 0.9087 0.9258 0.8164 -0.1088 0.1355 0.3270 180 LEU D CD1 5826 C CD2 . LEU D 181 ? 0.9657 1.0459 0.8583 -0.1455 0.1756 0.3608 180 LEU D CD2 5827 N N . ASN D 182 ? 0.8543 1.0456 0.7561 -0.1251 0.2137 0.2393 181 ASN D N 5828 C CA . ASN D 182 ? 0.8251 1.0449 0.7582 -0.1211 0.2259 0.2043 181 ASN D CA 5829 C C . ASN D 182 ? 0.7761 0.9714 0.7298 -0.1010 0.2068 0.1714 181 ASN D C 5830 O O . ASN D 182 ? 0.7648 0.9790 0.7124 -0.0868 0.2089 0.1407 181 ASN D O 5831 C CB . ASN D 182 ? 0.8340 1.0656 0.8129 -0.1407 0.2401 0.2162 181 ASN D CB 5832 N N . ASP D 183 ? 0.7501 0.9033 0.7287 -0.1002 0.1886 0.1775 182 ASP D N 5833 C CA . ASP D 183 ? 0.6983 0.8316 0.6956 -0.0839 0.1715 0.1488 182 ASP D CA 5834 C C . ASP D 183 ? 0.6780 0.7731 0.6514 -0.0717 0.1508 0.1532 182 ASP D C 5835 O O . ASP D 183 ? 0.6609 0.7216 0.6541 -0.0689 0.1355 0.1521 182 ASP D O 5836 C CB . ASP D 183 ? 0.6896 0.8134 0.7369 -0.0920 0.1679 0.1435 182 ASP D CB 5837 C CG . ASP D 183 ? 0.7060 0.8738 0.7848 -0.0974 0.1847 0.1281 182 ASP D CG 5838 O OD1 . ASP D 183 ? 0.7429 0.9484 0.8084 -0.1027 0.2057 0.1320 182 ASP D OD1 5839 O OD2 . ASP D 183 ? 0.7089 0.8761 0.8266 -0.0961 0.1766 0.1115 182 ASP D OD2 5840 N N . SER D 184 ? 0.6744 0.7797 0.6059 -0.0652 0.1511 0.1571 183 SER D N 5841 C CA . SER D 184 ? 0.6529 0.7297 0.5615 -0.0546 0.1325 0.1643 183 SER D CA 5842 C C . SER D 184 ? 0.6078 0.6629 0.5335 -0.0401 0.1172 0.1382 183 SER D C 5843 O O . SER D 184 ? 0.5875 0.6577 0.5237 -0.0337 0.1202 0.1119 183 SER D O 5844 C CB . SER D 184 ? 0.6678 0.7676 0.5299 -0.0497 0.1344 0.1648 183 SER D CB 5845 O OG . SER D 184 ? 0.6244 0.6999 0.4698 -0.0391 0.1148 0.1709 183 SER D OG 5846 N N . ARG D 185 ? 0.5865 0.6070 0.5167 -0.0347 0.1012 0.1461 184 ARG D N 5847 C CA . ARG D 185 ? 0.5496 0.5534 0.4884 -0.0214 0.0876 0.1230 184 ARG D CA 5848 C C . ARG D 185 ? 0.5304 0.5448 0.4374 -0.0097 0.0819 0.1135 184 ARG D C 5849 O O . ARG D 185 ? 0.5398 0.5717 0.4175 -0.0121 0.0863 0.1258 184 ARG D O 5850 C CB . ARG D 185 ? 0.5521 0.5185 0.5114 -0.0204 0.0752 0.1301 184 ARG D CB 5851 C CG . ARG D 185 ? 0.5875 0.5448 0.5814 -0.0326 0.0796 0.1301 184 ARG D CG 5852 C CD . ARG D 185 ? 0.6820 0.6013 0.6970 -0.0347 0.0705 0.1392 184 ARG D CD 5853 N NE . ARG D 185 ? 0.7485 0.6612 0.7978 -0.0477 0.0733 0.1323 184 ARG D NE 5854 C CZ . ARG D 185 ? 0.7740 0.6544 0.8492 -0.0521 0.0666 0.1310 184 ARG D CZ 5855 N NH1 . ARG D 185 ? 0.7948 0.6454 0.8689 -0.0428 0.0576 0.1367 184 ARG D NH1 5856 N NH2 . ARG D 185 ? 0.7445 0.6239 0.8499 -0.0658 0.0686 0.1220 184 ARG D NH2 5857 N N . TYR D 186 ? 0.4904 0.4965 0.4030 0.0011 0.0723 0.0916 185 TYR D N 5858 C CA . TYR D 186 ? 0.4820 0.4974 0.3716 0.0106 0.0667 0.0787 185 TYR D CA 5859 C C . TYR D 186 ? 0.4735 0.4676 0.3620 0.0194 0.0510 0.0787 185 TYR D C 5860 O O . TYR D 186 ? 0.4663 0.4388 0.3755 0.0209 0.0451 0.0788 185 TYR D O 5861 C CB . TYR D 186 ? 0.4583 0.4858 0.3578 0.0155 0.0701 0.0523 185 TYR D CB 5862 C CG . TYR D 186 ? 0.4692 0.5231 0.3742 0.0096 0.0867 0.0468 185 TYR D CG 5863 C CD1 . TYR D 186 ? 0.4905 0.5703 0.3714 0.0096 0.0967 0.0393 185 TYR D CD1 5864 C CD2 . TYR D 186 ? 0.4530 0.5096 0.3887 0.0036 0.0930 0.0468 185 TYR D CD2 5865 C CE1 . TYR D 186 ? 0.4935 0.6016 0.3815 0.0050 0.1145 0.0312 185 TYR D CE1 5866 C CE2 . TYR D 186 ? 0.4785 0.5646 0.4246 -0.0013 0.1097 0.0411 185 TYR D CE2 5867 C CZ . TYR D 186 ? 0.4908 0.6027 0.4131 0.0000 0.1214 0.0328 185 TYR D CZ 5868 O OH . TYR D 186 ? 0.5211 0.6660 0.4547 -0.0040 0.1405 0.0242 185 TYR D OH 5869 N N . SER D 187 ? 0.4841 0.4875 0.3495 0.0248 0.0449 0.0759 186 SER D N 5870 C CA . SER D 187 ? 0.4810 0.4723 0.3485 0.0337 0.0312 0.0695 186 SER D CA 5871 C C . SER D 187 ? 0.4738 0.4774 0.3326 0.0376 0.0298 0.0466 186 SER D C 5872 O O . SER D 187 ? 0.4900 0.5129 0.3340 0.0349 0.0375 0.0384 186 SER D O 5873 C CB . SER D 187 ? 0.4970 0.4883 0.3500 0.0362 0.0215 0.0893 186 SER D CB 5874 O OG . SER D 187 ? 0.5272 0.5006 0.3941 0.0344 0.0205 0.1114 186 SER D OG 5875 N N . LEU D 188 ? 0.4607 0.4535 0.3297 0.0435 0.0206 0.0363 187 LEU D N 5876 C CA . LEU D 188 ? 0.4570 0.4570 0.3216 0.0463 0.0174 0.0170 187 LEU D CA 5877 C C . LEU D 188 ? 0.4504 0.4440 0.3181 0.0507 0.0052 0.0176 187 LEU D C 5878 O O . LEU D 188 ? 0.4466 0.4262 0.3300 0.0532 0.0021 0.0231 187 LEU D O 5879 C CB . LEU D 188 ? 0.4315 0.4253 0.3154 0.0471 0.0214 0.0024 187 LEU D CB 5880 C CG . LEU D 188 ? 0.4415 0.4359 0.3288 0.0499 0.0174 -0.0157 187 LEU D CG 5881 C CD1 . LEU D 188 ? 0.4500 0.4600 0.3269 0.0492 0.0246 -0.0292 187 LEU D CD1 5882 C CD2 . LEU D 188 ? 0.4430 0.4262 0.3524 0.0515 0.0161 -0.0214 187 LEU D CD2 5883 N N . SER D 189 ? 0.4487 0.4541 0.3035 0.0510 -0.0011 0.0099 188 SER D N 5884 C CA . SER D 189 ? 0.4406 0.4435 0.3042 0.0541 -0.0120 0.0087 188 SER D CA 5885 C C . SER D 189 ? 0.4306 0.4332 0.3009 0.0527 -0.0144 -0.0101 188 SER D C 5886 O O . SER D 189 ? 0.4383 0.4443 0.3032 0.0504 -0.0100 -0.0240 188 SER D O 5887 C CB . SER D 189 ? 0.4546 0.4721 0.3049 0.0551 -0.0219 0.0192 188 SER D CB 5888 O OG . SER D 189 ? 0.5001 0.5348 0.3303 0.0507 -0.0239 0.0066 188 SER D OG 5889 N N . SER D 190 ? 0.4180 0.4168 0.3024 0.0539 -0.0209 -0.0104 189 SER D N 5890 C CA . SER D 190 ? 0.4022 0.3998 0.2953 0.0506 -0.0242 -0.0242 189 SER D CA 5891 C C . SER D 190 ? 0.3979 0.4047 0.2997 0.0504 -0.0333 -0.0214 189 SER D C 5892 O O . SER D 190 ? 0.3950 0.4043 0.3032 0.0550 -0.0350 -0.0096 189 SER D O 5893 C CB . SER D 190 ? 0.3803 0.3629 0.2880 0.0502 -0.0192 -0.0263 189 SER D CB 5894 O OG . SER D 190 ? 0.3582 0.3367 0.2749 0.0462 -0.0221 -0.0366 189 SER D OG 5895 N N . ARG D 191 ? 0.3991 0.4108 0.3053 0.0449 -0.0388 -0.0331 190 ARG D N 5896 C CA . ARG D 191 ? 0.4029 0.4267 0.3227 0.0427 -0.0470 -0.0322 190 ARG D CA 5897 C C . ARG D 191 ? 0.3942 0.4096 0.3318 0.0364 -0.0451 -0.0381 190 ARG D C 5898 O O . ARG D 191 ? 0.4009 0.4035 0.3391 0.0321 -0.0430 -0.0476 190 ARG D O 5899 C CB . ARG D 191 ? 0.4222 0.4647 0.3327 0.0386 -0.0579 -0.0396 190 ARG D CB 5900 C CG . ARG D 191 ? 0.4850 0.5384 0.3701 0.0419 -0.0602 -0.0338 190 ARG D CG 5901 C CD . ARG D 191 ? 0.5237 0.5727 0.3909 0.0377 -0.0544 -0.0502 190 ARG D CD 5902 N NE . ARG D 191 ? 0.5741 0.6403 0.4120 0.0369 -0.0562 -0.0495 190 ARG D NE 5903 C CZ . ARG D 191 ? 0.5884 0.6524 0.4101 0.0396 -0.0461 -0.0422 190 ARG D CZ 5904 N NH1 . ARG D 191 ? 0.5686 0.6137 0.4033 0.0436 -0.0352 -0.0362 190 ARG D NH1 5905 N NH2 . ARG D 191 ? 0.6016 0.6849 0.3937 0.0369 -0.0470 -0.0405 190 ARG D NH2 5906 N N . LEU D 192 ? 0.3826 0.4059 0.3365 0.0359 -0.0455 -0.0319 191 LEU D N 5907 C CA . LEU D 192 ? 0.3824 0.4043 0.3531 0.0271 -0.0446 -0.0346 191 LEU D CA 5908 C C . LEU D 192 ? 0.3836 0.4288 0.3705 0.0231 -0.0520 -0.0355 191 LEU D C 5909 O O . LEU D 192 ? 0.3817 0.4424 0.3772 0.0295 -0.0522 -0.0287 191 LEU D O 5910 C CB . LEU D 192 ? 0.3647 0.3794 0.3403 0.0277 -0.0352 -0.0267 191 LEU D CB 5911 C CG . LEU D 192 ? 0.3673 0.3866 0.3587 0.0174 -0.0329 -0.0245 191 LEU D CG 5912 C CD1 . LEU D 192 ? 0.3782 0.3822 0.3739 0.0077 -0.0367 -0.0284 191 LEU D CD1 5913 C CD2 . LEU D 192 ? 0.3147 0.3321 0.3036 0.0182 -0.0232 -0.0172 191 LEU D CD2 5914 N N . ARG D 193 ? 0.3954 0.4433 0.3902 0.0126 -0.0587 -0.0450 192 ARG D N 5915 C CA . ARG D 193 ? 0.3970 0.4702 0.4107 0.0067 -0.0673 -0.0471 192 ARG D CA 5916 C C . ARG D 193 ? 0.4002 0.4749 0.4377 -0.0053 -0.0629 -0.0454 192 ARG D C 5917 O O . ARG D 193 ? 0.4091 0.4636 0.4485 -0.0145 -0.0611 -0.0489 192 ARG D O 5918 C CB . ARG D 193 ? 0.4159 0.4970 0.4223 0.0011 -0.0802 -0.0608 192 ARG D CB 5919 C CG . ARG D 193 ? 0.3960 0.5100 0.4207 -0.0032 -0.0928 -0.0618 192 ARG D CG 5920 C CD . ARG D 193 ? 0.4037 0.5303 0.4124 -0.0069 -0.1073 -0.0747 192 ARG D CD 5921 N NE . ARG D 193 ? 0.4099 0.5717 0.4271 -0.0035 -0.1212 -0.0678 192 ARG D NE 5922 C CZ . ARG D 193 ? 0.4210 0.6040 0.4251 -0.0075 -0.1374 -0.0760 192 ARG D CZ 5923 N NH1 . ARG D 193 ? 0.4115 0.6283 0.4266 -0.0032 -0.1518 -0.0659 192 ARG D NH1 5924 N NH2 . ARG D 193 ? 0.4204 0.5928 0.4014 -0.0156 -0.1398 -0.0952 192 ARG D NH2 5925 N N . VAL D 194 ? 0.3896 0.4890 0.4474 -0.0053 -0.0608 -0.0391 193 VAL D N 5926 C CA . VAL D 194 ? 0.3912 0.4995 0.4725 -0.0185 -0.0550 -0.0356 193 VAL D CA 5927 C C . VAL D 194 ? 0.3985 0.5417 0.5082 -0.0242 -0.0634 -0.0390 193 VAL D C 5928 O O . VAL D 194 ? 0.3957 0.5568 0.5058 -0.0154 -0.0741 -0.0417 193 VAL D O 5929 C CB . VAL D 194 ? 0.3863 0.4955 0.4667 -0.0144 -0.0393 -0.0254 193 VAL D CB 5930 C CG1 . VAL D 194 ? 0.3721 0.4492 0.4264 -0.0107 -0.0336 -0.0218 193 VAL D CG1 5931 C CG2 . VAL D 194 ? 0.3689 0.4987 0.4553 0.0004 -0.0365 -0.0242 193 VAL D CG2 5932 N N . SER D 195 ? 0.3988 0.5538 0.5338 -0.0398 -0.0596 -0.0371 194 SER D N 5933 C CA . SER D 195 ? 0.3972 0.5918 0.5660 -0.0454 -0.0648 -0.0387 194 SER D CA 5934 C C . SER D 195 ? 0.3843 0.6052 0.5649 -0.0302 -0.0560 -0.0326 194 SER D C 5935 O O . SER D 195 ? 0.3730 0.5830 0.5411 -0.0230 -0.0412 -0.0271 194 SER D O 5936 C CB . SER D 195 ? 0.4046 0.6059 0.5995 -0.0673 -0.0593 -0.0358 194 SER D CB 5937 O OG . SER D 195 ? 0.3931 0.5905 0.5844 -0.0689 -0.0406 -0.0238 194 SER D OG 5938 N N . ALA D 196 ? 0.3908 0.6471 0.5978 -0.0252 -0.0660 -0.0348 195 ALA D N 5939 C CA . ALA D 196 ? 0.3785 0.6619 0.6071 -0.0094 -0.0589 -0.0308 195 ALA D CA 5940 C C . ALA D 196 ? 0.3791 0.6714 0.6201 -0.0146 -0.0361 -0.0282 195 ALA D C 5941 O O . ALA D 196 ? 0.3731 0.6601 0.6059 -0.0011 -0.0231 -0.0274 195 ALA D O 5942 C CB . ALA D 196 ? 0.3784 0.7043 0.6447 -0.0078 -0.0737 -0.0324 195 ALA D CB 5943 N N . THR D 197 ? 0.3822 0.6873 0.6408 -0.0356 -0.0309 -0.0272 196 THR D N 5944 C CA . THR D 197 ? 0.3884 0.7104 0.6586 -0.0435 -0.0084 -0.0230 196 THR D CA 5945 C C . THR D 197 ? 0.3861 0.6743 0.6166 -0.0425 0.0053 -0.0179 196 THR D C 5946 O O . THR D 197 ? 0.3930 0.6955 0.6232 -0.0406 0.0241 -0.0173 196 THR D O 5947 C CB . THR D 197 ? 0.3968 0.7411 0.6960 -0.0695 -0.0053 -0.0191 196 THR D CB 5948 O OG1 . THR D 197 ? 0.4249 0.7310 0.7020 -0.0857 -0.0114 -0.0143 196 THR D OG1 5949 C CG2 . THR D 197 ? 0.4002 0.7815 0.7414 -0.0725 -0.0208 -0.0253 196 THR D CG2 5950 N N . PHE D 198 ? 0.3883 0.6352 0.5867 -0.0438 -0.0041 -0.0158 197 PHE D N 5951 C CA . PHE D 198 ? 0.3879 0.6038 0.5502 -0.0405 0.0048 -0.0109 197 PHE D CA 5952 C C . PHE D 198 ? 0.3779 0.5914 0.5281 -0.0186 0.0090 -0.0168 197 PHE D C 5953 O O . PHE D 198 ? 0.3699 0.5847 0.5080 -0.0159 0.0239 -0.0169 197 PHE D O 5954 C CB . PHE D 198 ? 0.4002 0.5752 0.5386 -0.0455 -0.0069 -0.0085 197 PHE D CB 5955 C CG . PHE D 198 ? 0.4212 0.5691 0.5301 -0.0471 0.0010 0.0000 197 PHE D CG 5956 C CD1 . PHE D 198 ? 0.4287 0.5552 0.5112 -0.0319 0.0001 -0.0029 197 PHE D CD1 5957 C CD2 . PHE D 198 ? 0.4523 0.5978 0.5613 -0.0650 0.0083 0.0129 197 PHE D CD2 5958 C CE1 . PHE D 198 ? 0.4480 0.5532 0.5055 -0.0338 0.0052 0.0049 197 PHE D CE1 5959 C CE2 . PHE D 198 ? 0.4771 0.6004 0.5587 -0.0664 0.0127 0.0233 197 PHE D CE2 5960 C CZ . PHE D 198 ? 0.4572 0.5616 0.5136 -0.0504 0.0106 0.0183 197 PHE D CZ 5961 N N . TRP D 199 ? 0.3667 0.5772 0.5201 -0.0044 -0.0045 -0.0215 198 TRP D N 5962 C CA . TRP D 199 ? 0.3585 0.5666 0.5088 0.0160 -0.0020 -0.0252 198 TRP D CA 5963 C C . TRP D 199 ? 0.3603 0.6026 0.5416 0.0233 0.0114 -0.0307 198 TRP D C 5964 O O . TRP D 199 ? 0.3664 0.6037 0.5436 0.0357 0.0215 -0.0360 198 TRP D O 5965 C CB . TRP D 199 ? 0.3575 0.5611 0.5090 0.0282 -0.0203 -0.0246 198 TRP D CB 5966 C CG . TRP D 199 ? 0.3448 0.5500 0.5054 0.0489 -0.0181 -0.0252 198 TRP D CG 5967 C CD1 . TRP D 199 ? 0.3420 0.5735 0.5365 0.0614 -0.0239 -0.0248 198 TRP D CD1 5968 C CD2 . TRP D 199 ? 0.3361 0.5149 0.4763 0.0586 -0.0095 -0.0265 198 TRP D CD2 5969 N NE1 . TRP D 199 ? 0.3490 0.5685 0.5467 0.0793 -0.0194 -0.0251 198 TRP D NE1 5970 C CE2 . TRP D 199 ? 0.3445 0.5314 0.5086 0.0769 -0.0104 -0.0272 198 TRP D CE2 5971 C CE3 . TRP D 199 ? 0.3346 0.4843 0.4419 0.0534 -0.0026 -0.0270 198 TRP D CE3 5972 C CZ2 . TRP D 199 ? 0.3318 0.4956 0.4879 0.0888 -0.0036 -0.0297 198 TRP D CZ2 5973 C CZ3 . TRP D 199 ? 0.3535 0.4843 0.4512 0.0646 0.0033 -0.0299 198 TRP D CZ3 5974 C CH2 . TRP D 199 ? 0.3606 0.4973 0.4826 0.0813 0.0034 -0.0320 198 TRP D CH2 5975 N N . GLN D 200 ? 0.3610 0.6391 0.5766 0.0155 0.0118 -0.0312 199 GLN D N 5976 C CA . GLN D 200 ? 0.3640 0.6804 0.6164 0.0237 0.0252 -0.0383 199 GLN D CA 5977 C C . GLN D 200 ? 0.3703 0.6967 0.6137 0.0152 0.0499 -0.0425 199 GLN D C 5978 O O . GLN D 200 ? 0.3770 0.7327 0.6455 0.0238 0.0654 -0.0526 199 GLN D O 5979 C CB . GLN D 200 ? 0.3619 0.7192 0.6587 0.0180 0.0169 -0.0376 199 GLN D CB 5980 C CG . GLN D 200 ? 0.3597 0.7172 0.6692 0.0328 -0.0066 -0.0352 199 GLN D CG 5981 C CD . GLN D 200 ? 0.3577 0.7495 0.7013 0.0231 -0.0227 -0.0335 199 GLN D CD 5982 O OE1 . GLN D 200 ? 0.3531 0.7643 0.7115 0.0026 -0.0175 -0.0340 199 GLN D OE1 5983 N NE2 . GLN D 200 ? 0.3491 0.7495 0.7057 0.0369 -0.0435 -0.0304 199 GLN D NE2 5984 N N . ASN D 201 ? 0.3738 0.6772 0.5819 -0.0012 0.0531 -0.0348 200 ASN D N 5985 C CA . ASN D 201 ? 0.3930 0.7085 0.5866 -0.0134 0.0744 -0.0345 200 ASN D CA 5986 C C . ASN D 201 ? 0.3924 0.6905 0.5581 -0.0012 0.0838 -0.0439 200 ASN D C 5987 O O . ASN D 201 ? 0.3961 0.6569 0.5277 -0.0005 0.0752 -0.0391 200 ASN D O 5988 C CB . ASN D 201 ? 0.4075 0.7060 0.5781 -0.0367 0.0714 -0.0184 200 ASN D CB 5989 C CG . ASN D 201 ? 0.4519 0.7678 0.6057 -0.0526 0.0922 -0.0125 200 ASN D CG 5990 O OD1 . ASN D 201 ? 0.4733 0.8146 0.6275 -0.0467 0.1105 -0.0240 200 ASN D OD1 5991 N ND2 . ASN D 201 ? 0.4885 0.7904 0.6272 -0.0731 0.0891 0.0054 200 ASN D ND2 5992 N N . PRO D 202 ? 0.3971 0.7234 0.5800 0.0081 0.1018 -0.0593 201 PRO D N 5993 C CA . PRO D 202 ? 0.4056 0.7165 0.5685 0.0209 0.1104 -0.0738 201 PRO D CA 5994 C C . PRO D 202 ? 0.4272 0.7226 0.5415 0.0068 0.1174 -0.0699 201 PRO D C 5995 O O . PRO D 202 ? 0.4316 0.7103 0.5253 0.0151 0.1211 -0.0820 201 PRO D O 5996 C CB . PRO D 202 ? 0.4117 0.7636 0.6102 0.0310 0.1308 -0.0936 201 PRO D CB 5997 C CG . PRO D 202 ? 0.4101 0.8040 0.6351 0.0162 0.1386 -0.0866 201 PRO D CG 5998 C CD . PRO D 202 ? 0.4025 0.7791 0.6291 0.0070 0.1157 -0.0665 201 PRO D CD 5999 N N . ARG D 203 ? 0.4388 0.7396 0.5370 -0.0145 0.1179 -0.0526 202 ARG D N 6000 C CA . ARG D 203 ? 0.4694 0.7542 0.5218 -0.0282 0.1196 -0.0430 202 ARG D CA 6001 C C . ARG D 203 ? 0.4566 0.6967 0.4874 -0.0292 0.0981 -0.0280 202 ARG D C 6002 O O . ARG D 203 ? 0.4676 0.6924 0.4648 -0.0387 0.0956 -0.0176 202 ARG D O 6003 C CB . ARG D 203 ? 0.4957 0.8120 0.5410 -0.0511 0.1340 -0.0302 202 ARG D CB 6004 C CG . ARG D 203 ? 0.5356 0.8993 0.5964 -0.0497 0.1593 -0.0491 202 ARG D CG 6005 C CD . ARG D 203 ? 0.6035 1.0029 0.6581 -0.0740 0.1753 -0.0347 202 ARG D CD 6006 N NE . ARG D 203 ? 0.6480 1.0361 0.6514 -0.0898 0.1755 -0.0192 202 ARG D NE 6007 C CZ . ARG D 203 ? 0.6919 1.1118 0.6755 -0.1119 0.1916 -0.0058 202 ARG D CZ 6008 N NH1 . ARG D 203 ? 0.6999 1.1662 0.7123 -0.1212 0.2115 -0.0082 202 ARG D NH1 6009 N NH2 . ARG D 203 ? 0.7336 1.1416 0.6693 -0.1251 0.1877 0.0111 202 ARG D NH2 6010 N N . ASN D 204 ? 0.4362 0.6581 0.4870 -0.0189 0.0825 -0.0273 203 ASN D N 6011 C CA . ASN D 204 ? 0.4224 0.6050 0.4554 -0.0167 0.0648 -0.0187 203 ASN D CA 6012 C C . ASN D 204 ? 0.4133 0.5743 0.4357 0.0001 0.0606 -0.0298 203 ASN D C 6013 O O . ASN D 204 ? 0.4088 0.5733 0.4520 0.0151 0.0600 -0.0405 203 ASN D O 6014 C CB . ASN D 204 ? 0.4136 0.5895 0.4678 -0.0185 0.0506 -0.0120 203 ASN D CB 6015 C CG . ASN D 204 ? 0.4337 0.6199 0.4951 -0.0389 0.0521 0.0016 203 ASN D CG 6016 O OD1 . ASN D 204 ? 0.4635 0.6523 0.5062 -0.0518 0.0603 0.0120 203 ASN D OD1 6017 N ND2 . ASN D 204 ? 0.4586 0.6515 0.5470 -0.0432 0.0436 0.0027 203 ASN D ND2 6018 N N . HIS D 205 ? 0.4147 0.5538 0.4071 -0.0029 0.0570 -0.0256 204 HIS D N 6019 C CA . HIS D 205 ? 0.4077 0.5265 0.3887 0.0092 0.0539 -0.0354 204 HIS D CA 6020 C C . HIS D 205 ? 0.3939 0.4822 0.3669 0.0114 0.0382 -0.0259 204 HIS D C 6021 O O . HIS D 205 ? 0.4045 0.4811 0.3610 0.0021 0.0324 -0.0144 204 HIS D O 6022 C CB . HIS D 205 ? 0.4240 0.5484 0.3783 0.0027 0.0629 -0.0411 204 HIS D CB 6023 C CG . HIS D 205 ? 0.4456 0.5538 0.3928 0.0133 0.0622 -0.0556 204 HIS D CG 6024 N ND1 . HIS D 205 ? 0.4725 0.5809 0.3929 0.0071 0.0652 -0.0620 204 HIS D ND1 6025 C CD2 . HIS D 205 ? 0.4482 0.5391 0.4119 0.0281 0.0577 -0.0637 204 HIS D CD2 6026 C CE1 . HIS D 205 ? 0.4818 0.5731 0.4054 0.0172 0.0633 -0.0759 204 HIS D CE1 6027 N NE2 . HIS D 205 ? 0.4513 0.5306 0.4014 0.0300 0.0593 -0.0757 204 HIS D NE2 6028 N N . PHE D 206 ? 0.3688 0.4463 0.3551 0.0242 0.0316 -0.0301 205 PHE D N 6029 C CA . PHE D 206 ? 0.3531 0.4072 0.3339 0.0275 0.0191 -0.0240 205 PHE D CA 6030 C C . PHE D 206 ? 0.3554 0.3908 0.3244 0.0348 0.0182 -0.0285 205 PHE D C 6031 O O . PHE D 206 ? 0.3557 0.3925 0.3323 0.0432 0.0236 -0.0379 205 PHE D O 6032 C CB . PHE D 206 ? 0.3437 0.4021 0.3435 0.0351 0.0122 -0.0240 205 PHE D CB 6033 C CG . PHE D 206 ? 0.3528 0.4316 0.3694 0.0275 0.0114 -0.0214 205 PHE D CG 6034 C CD1 . PHE D 206 ? 0.3849 0.4913 0.4220 0.0281 0.0205 -0.0263 205 PHE D CD1 6035 C CD2 . PHE D 206 ? 0.3604 0.4321 0.3761 0.0192 0.0021 -0.0159 205 PHE D CD2 6036 C CE1 . PHE D 206 ? 0.3874 0.5159 0.4443 0.0194 0.0198 -0.0235 205 PHE D CE1 6037 C CE2 . PHE D 206 ? 0.3758 0.4657 0.4102 0.0100 0.0005 -0.0143 205 PHE D CE2 6038 C CZ . PHE D 206 ? 0.3780 0.4974 0.4334 0.0096 0.0090 -0.0171 205 PHE D CZ 6039 N N . ARG D 207 ? 0.3559 0.3740 0.3111 0.0317 0.0112 -0.0224 206 ARG D N 6040 C CA . ARG D 207 ? 0.3657 0.3675 0.3123 0.0363 0.0094 -0.0250 206 ARG D CA 6041 C C . ARG D 207 ? 0.3640 0.3513 0.3081 0.0377 0.0010 -0.0186 206 ARG D C 6042 O O . ARG D 207 ? 0.3650 0.3499 0.3070 0.0322 -0.0033 -0.0130 206 ARG D O 6043 C CB . ARG D 207 ? 0.3561 0.3588 0.2871 0.0291 0.0119 -0.0270 206 ARG D CB 6044 C CG . ARG D 207 ? 0.3688 0.3576 0.2953 0.0323 0.0096 -0.0317 206 ARG D CG 6045 C CD . ARG D 207 ? 0.3663 0.3606 0.2768 0.0240 0.0099 -0.0353 206 ARG D CD 6046 N NE . ARG D 207 ? 0.3857 0.3966 0.2904 0.0207 0.0195 -0.0465 206 ARG D NE 6047 C CZ . ARG D 207 ? 0.4029 0.4131 0.3124 0.0249 0.0264 -0.0637 206 ARG D CZ 6048 N NH1 . ARG D 207 ? 0.3934 0.4216 0.2971 0.0217 0.0367 -0.0769 206 ARG D NH1 6049 N NH2 . ARG D 207 ? 0.4015 0.3930 0.3233 0.0319 0.0238 -0.0680 206 ARG D NH2 6050 N N . CYS D 208 ? 0.3771 0.3547 0.3229 0.0448 0.0000 -0.0198 207 CYS D N 6051 C CA . CYS D 208 ? 0.3851 0.3526 0.3268 0.0460 -0.0047 -0.0159 207 CYS D CA 6052 C C . CYS D 208 ? 0.3801 0.3394 0.3173 0.0443 -0.0035 -0.0170 207 CYS D C 6053 O O . CYS D 208 ? 0.3763 0.3321 0.3159 0.0463 -0.0001 -0.0209 207 CYS D O 6054 C CB . CYS D 208 ? 0.3927 0.3586 0.3380 0.0531 -0.0059 -0.0135 207 CYS D CB 6055 S SG . CYS D 208 ? 0.4805 0.4388 0.4173 0.0531 -0.0075 -0.0103 207 CYS D SG 6056 N N . GLN D 209 ? 0.3752 0.3314 0.3096 0.0410 -0.0071 -0.0143 208 GLN D N 6057 C CA . GLN D 209 ? 0.3758 0.3290 0.3091 0.0385 -0.0081 -0.0149 208 GLN D CA 6058 C C . GLN D 209 ? 0.3736 0.3228 0.3124 0.0411 -0.0086 -0.0133 208 GLN D C 6059 O O . GLN D 209 ? 0.3697 0.3186 0.3110 0.0430 -0.0102 -0.0123 208 GLN D O 6060 C CB . GLN D 209 ? 0.3834 0.3413 0.3126 0.0324 -0.0130 -0.0108 208 GLN D CB 6061 C CG . GLN D 209 ? 0.3905 0.3486 0.3222 0.0304 -0.0178 -0.0093 208 GLN D CG 6062 C CD . GLN D 209 ? 0.4050 0.3687 0.3329 0.0250 -0.0255 -0.0009 208 GLN D CD 6063 O OE1 . GLN D 209 ? 0.4398 0.4117 0.3546 0.0188 -0.0256 -0.0003 208 GLN D OE1 6064 N NE2 . GLN D 209 ? 0.3830 0.3435 0.3231 0.0275 -0.0320 0.0059 208 GLN D NE2 6065 N N . VAL D 210 ? 0.3633 0.3100 0.3055 0.0405 -0.0063 -0.0145 209 VAL D N 6066 C CA . VAL D 210 ? 0.3496 0.2971 0.2987 0.0414 -0.0047 -0.0128 209 VAL D CA 6067 C C . VAL D 210 ? 0.3446 0.2960 0.3023 0.0370 -0.0078 -0.0138 209 VAL D C 6068 O O . VAL D 210 ? 0.3481 0.2975 0.3073 0.0326 -0.0075 -0.0168 209 VAL D O 6069 C CB . VAL D 210 ? 0.3637 0.3077 0.3125 0.0430 0.0011 -0.0097 209 VAL D CB 6070 C CG1 . VAL D 210 ? 0.3387 0.2887 0.2941 0.0419 0.0053 -0.0079 209 VAL D CG1 6071 C CG2 . VAL D 210 ? 0.3370 0.2814 0.2772 0.0476 0.0012 -0.0072 209 VAL D CG2 6072 N N . GLN D 211 ? 0.3288 0.2861 0.2952 0.0383 -0.0117 -0.0123 210 GLN D N 6073 C CA . GLN D 211 ? 0.3354 0.3009 0.3145 0.0352 -0.0168 -0.0117 210 GLN D CA 6074 C C . GLN D 211 ? 0.3423 0.3132 0.3350 0.0358 -0.0095 -0.0129 210 GLN D C 6075 O O . GLN D 211 ? 0.3474 0.3212 0.3446 0.0411 -0.0041 -0.0139 210 GLN D O 6076 C CB . GLN D 211 ? 0.3323 0.3018 0.3203 0.0383 -0.0252 -0.0071 210 GLN D CB 6077 C CG . GLN D 211 ? 0.3340 0.3161 0.3423 0.0376 -0.0320 -0.0050 210 GLN D CG 6078 C CD . GLN D 211 ? 0.3731 0.3626 0.3743 0.0291 -0.0416 -0.0035 210 GLN D CD 6079 O OE1 . GLN D 211 ? 0.3783 0.3742 0.3850 0.0232 -0.0409 -0.0088 210 GLN D OE1 6080 N NE2 . GLN D 211 ? 0.3385 0.3286 0.3278 0.0270 -0.0506 0.0033 210 GLN D NE2 6081 N N . PHE D 212 ? 0.3368 0.3102 0.3361 0.0292 -0.0087 -0.0140 211 PHE D N 6082 C CA . PHE D 212 ? 0.3374 0.3177 0.3512 0.0265 -0.0007 -0.0129 211 PHE D CA 6083 C C . PHE D 212 ? 0.3321 0.3296 0.3700 0.0236 -0.0059 -0.0141 211 PHE D C 6084 O O . PHE D 212 ? 0.3428 0.3437 0.3833 0.0187 -0.0165 -0.0158 211 PHE D O 6085 C CB . PHE D 212 ? 0.3400 0.3092 0.3507 0.0196 0.0035 -0.0120 211 PHE D CB 6086 C CG . PHE D 212 ? 0.3247 0.3008 0.3525 0.0129 0.0114 -0.0080 211 PHE D CG 6087 C CD1 . PHE D 212 ? 0.3233 0.3053 0.3489 0.0150 0.0225 -0.0014 211 PHE D CD1 6088 C CD2 . PHE D 212 ? 0.2936 0.2719 0.3386 0.0025 0.0081 -0.0111 211 PHE D CD2 6089 C CE1 . PHE D 212 ? 0.3402 0.3313 0.3808 0.0068 0.0318 0.0046 211 PHE D CE1 6090 C CE2 . PHE D 212 ? 0.3181 0.3032 0.3823 -0.0061 0.0162 -0.0059 211 PHE D CE2 6091 C CZ . PHE D 212 ? 0.3399 0.3318 0.4018 -0.0041 0.0289 0.0033 211 PHE D CZ 6092 N N . TYR D 213 ? 0.3263 0.3377 0.3819 0.0264 0.0015 -0.0139 212 TYR D N 6093 C CA . TYR D 213 ? 0.3292 0.3615 0.4150 0.0243 -0.0017 -0.0149 212 TYR D CA 6094 C C . TYR D 213 ? 0.3382 0.3786 0.4372 0.0140 0.0078 -0.0136 212 TYR D C 6095 O O . TYR D 213 ? 0.3524 0.3939 0.4472 0.0134 0.0222 -0.0108 212 TYR D O 6096 C CB . TYR D 213 ? 0.3249 0.3698 0.4287 0.0355 0.0006 -0.0175 212 TYR D CB 6097 C CG . TYR D 213 ? 0.3253 0.3591 0.4213 0.0435 -0.0110 -0.0160 212 TYR D CG 6098 C CD1 . TYR D 213 ? 0.3271 0.3450 0.4027 0.0491 -0.0068 -0.0180 212 TYR D CD1 6099 C CD2 . TYR D 213 ? 0.3436 0.3838 0.4524 0.0436 -0.0276 -0.0109 212 TYR D CD2 6100 C CE1 . TYR D 213 ? 0.3286 0.3349 0.3992 0.0540 -0.0172 -0.0149 212 TYR D CE1 6101 C CE2 . TYR D 213 ? 0.3432 0.3725 0.4445 0.0491 -0.0385 -0.0052 212 TYR D CE2 6102 C CZ . TYR D 213 ? 0.3586 0.3700 0.4421 0.0538 -0.0325 -0.0072 212 TYR D CZ 6103 O OH . TYR D 213 ? 0.3855 0.3856 0.4649 0.0571 -0.0428 0.0000 212 TYR D OH 6104 N N . GLY D 214 ? 0.3460 0.3923 0.4593 0.0041 -0.0007 -0.0151 213 GLY D N 6105 C CA . GLY D 214 ? 0.3522 0.4044 0.4829 -0.0086 0.0066 -0.0136 213 GLY D CA 6106 C C . GLY D 214 ? 0.3640 0.4392 0.5257 -0.0157 -0.0042 -0.0175 213 GLY D C 6107 O O . GLY D 214 ? 0.3632 0.4601 0.5452 -0.0082 -0.0098 -0.0179 213 GLY D O 6108 N N . LEU D 215 ? 0.3843 0.4545 0.5523 -0.0302 -0.0088 -0.0210 214 LEU D N 6109 C CA . LEU D 215 ? 0.3938 0.4884 0.5930 -0.0403 -0.0204 -0.0258 214 LEU D CA 6110 C C . LEU D 215 ? 0.4089 0.5108 0.5995 -0.0373 -0.0419 -0.0307 214 LEU D C 6111 O O . LEU D 215 ? 0.4072 0.4905 0.5646 -0.0315 -0.0471 -0.0320 214 LEU D O 6112 C CB . LEU D 215 ? 0.4015 0.4866 0.6119 -0.0591 -0.0181 -0.0299 214 LEU D CB 6113 C CG . LEU D 215 ? 0.4010 0.4970 0.6391 -0.0680 -0.0009 -0.0216 214 LEU D CG 6114 C CD1 . LEU D 215 ? 0.3348 0.4196 0.5529 -0.0583 0.0176 -0.0105 214 LEU D CD1 6115 C CD2 . LEU D 215 ? 0.3841 0.4672 0.6385 -0.0887 -0.0004 -0.0245 214 LEU D CD2 6116 N N . SER D 216 ? 0.4261 0.5586 0.6482 -0.0417 -0.0543 -0.0318 215 SER D N 6117 C CA . SER D 216 ? 0.4633 0.6087 0.6798 -0.0429 -0.0775 -0.0341 215 SER D CA 6118 C C . SER D 216 ? 0.4954 0.6407 0.7110 -0.0626 -0.0867 -0.0470 215 SER D C 6119 O O . SER D 216 ? 0.5043 0.6432 0.7366 -0.0745 -0.0758 -0.0520 215 SER D O 6120 C CB . SER D 216 ? 0.4532 0.6344 0.7083 -0.0355 -0.0884 -0.0269 215 SER D CB 6121 O OG . SER D 216 ? 0.4990 0.7040 0.7648 -0.0457 -0.1118 -0.0299 215 SER D OG 6122 N N . GLU D 217 ? 0.5286 0.6807 0.7243 -0.0669 -0.1064 -0.0526 216 GLU D N 6123 C CA . GLU D 217 ? 0.5725 0.7294 0.7674 -0.0864 -0.1180 -0.0694 216 GLU D CA 6124 C C . GLU D 217 ? 0.5834 0.7699 0.8271 -0.0993 -0.1238 -0.0720 216 GLU D C 6125 O O . GLU D 217 ? 0.6069 0.7878 0.8620 -0.1172 -0.1230 -0.0862 216 GLU D O 6126 C CB . GLU D 217 ? 0.5967 0.7668 0.7609 -0.0887 -0.1400 -0.0733 216 GLU D CB 6127 N N . ASN D 218 ? 0.5760 0.7939 0.8524 -0.0901 -0.1294 -0.0589 217 ASN D N 6128 C CA . ASN D 218 ? 0.5799 0.8335 0.9096 -0.1003 -0.1342 -0.0596 217 ASN D CA 6129 C C . ASN D 218 ? 0.5774 0.8227 0.9350 -0.1091 -0.1101 -0.0606 217 ASN D C 6130 O O . ASN D 218 ? 0.5903 0.8592 0.9885 -0.1256 -0.1130 -0.0656 217 ASN D O 6131 C CB . ASN D 218 ? 0.5719 0.8605 0.9338 -0.0840 -0.1435 -0.0449 217 ASN D CB 6132 N N . ASP D 219 ? 0.5626 0.7770 0.8992 -0.0995 -0.0873 -0.0542 218 ASP D N 6133 C CA . ASP D 219 ? 0.5551 0.7650 0.9144 -0.1059 -0.0634 -0.0490 218 ASP D CA 6134 C C . ASP D 219 ? 0.5702 0.7597 0.9345 -0.1287 -0.0604 -0.0581 218 ASP D C 6135 O O . ASP D 219 ? 0.5835 0.7418 0.9164 -0.1326 -0.0660 -0.0683 218 ASP D O 6136 C CB . ASP D 219 ? 0.5413 0.7259 0.8720 -0.0895 -0.0427 -0.0389 218 ASP D CB 6137 C CG . ASP D 219 ? 0.5302 0.7363 0.8688 -0.0687 -0.0411 -0.0317 218 ASP D CG 6138 O OD1 . ASP D 219 ? 0.5385 0.7829 0.9182 -0.0671 -0.0483 -0.0311 218 ASP D OD1 6139 O OD2 . ASP D 219 ? 0.5045 0.6895 0.8120 -0.0537 -0.0330 -0.0275 218 ASP D OD2 6140 N N . GLU D 220 ? 0.5706 0.7783 0.9779 -0.1440 -0.0510 -0.0549 219 GLU D N 6141 C CA . GLU D 220 ? 0.5903 0.7753 1.0094 -0.1670 -0.0463 -0.0609 219 GLU D CA 6142 C C . GLU D 220 ? 0.5909 0.7303 0.9813 -0.1632 -0.0263 -0.0512 219 GLU D C 6143 O O . GLU D 220 ? 0.5750 0.7137 0.9517 -0.1488 -0.0100 -0.0362 219 GLU D O 6144 C CB . GLU D 220 ? 0.5991 0.8186 1.0756 -0.1859 -0.0403 -0.0567 219 GLU D CB 6145 N N . TRP D 221 ? 0.6120 0.7142 0.9946 -0.1759 -0.0286 -0.0607 220 TRP D N 6146 C CA . TRP D 221 ? 0.6195 0.6766 0.9792 -0.1720 -0.0131 -0.0507 220 TRP D CA 6147 C C . TRP D 221 ? 0.6609 0.6894 1.0467 -0.1948 -0.0108 -0.0549 220 TRP D C 6148 O O . TRP D 221 ? 0.6816 0.6962 1.0705 -0.2051 -0.0253 -0.0777 220 TRP D O 6149 C CB . TRP D 221 ? 0.6083 0.6386 0.9206 -0.1537 -0.0194 -0.0593 220 TRP D CB 6150 C CG . TRP D 221 ? 0.5829 0.5729 0.8732 -0.1454 -0.0051 -0.0470 220 TRP D CG 6151 C CD1 . TRP D 221 ? 0.5902 0.5387 0.8699 -0.1468 -0.0062 -0.0562 220 TRP D CD1 6152 C CD2 . TRP D 221 ? 0.5480 0.5380 0.8257 -0.1339 0.0114 -0.0238 220 TRP D CD2 6153 N NE1 . TRP D 221 ? 0.5680 0.4909 0.8318 -0.1361 0.0070 -0.0372 220 TRP D NE1 6154 C CE2 . TRP D 221 ? 0.5527 0.5012 0.8124 -0.1293 0.0176 -0.0169 220 TRP D CE2 6155 C CE3 . TRP D 221 ? 0.5133 0.5361 0.7943 -0.1271 0.0217 -0.0096 220 TRP D CE3 6156 C CZ2 . TRP D 221 ? 0.5524 0.4931 0.7937 -0.1190 0.0314 0.0056 220 TRP D CZ2 6157 C CZ3 . TRP D 221 ? 0.4838 0.4982 0.7445 -0.1176 0.0374 0.0091 220 TRP D CZ3 6158 C CH2 . TRP D 221 ? 0.5099 0.4844 0.7494 -0.1143 0.0411 0.0177 220 TRP D CH2 6159 N N . THR D 222 ? 0.6798 0.6996 1.0839 -0.2035 0.0074 -0.0330 221 THR D N 6160 C CA . THR D 222 ? 0.7229 0.7167 1.1610 -0.2278 0.0109 -0.0315 221 THR D CA 6161 C C . THR D 222 ? 0.7505 0.6900 1.1722 -0.2240 0.0208 -0.0181 221 THR D C 6162 O O . THR D 222 ? 0.7838 0.6930 1.2343 -0.2426 0.0240 -0.0139 221 THR D O 6163 C CB . THR D 222 ? 0.7268 0.7535 1.2075 -0.2463 0.0239 -0.0132 221 THR D CB 6164 O OG1 . THR D 222 ? 0.7159 0.7593 1.1783 -0.2326 0.0429 0.0118 221 THR D OG1 6165 C CG2 . THR D 222 ? 0.7132 0.7911 1.2255 -0.2549 0.0106 -0.0295 221 THR D CG2 6166 N N . GLN D 223 ? 0.7389 0.6664 1.1181 -0.2000 0.0245 -0.0108 222 GLN D N 6167 C CA . GLN D 223 ? 0.7643 0.6450 1.1277 -0.1925 0.0318 0.0034 222 GLN D CA 6168 C C . GLN D 223 ? 0.7798 0.6226 1.1322 -0.1857 0.0197 -0.0219 222 GLN D C 6169 O O . GLN D 223 ? 0.7682 0.6246 1.1084 -0.1815 0.0067 -0.0497 222 GLN D O 6170 C CB . GLN D 223 ? 0.7405 0.6298 1.0668 -0.1718 0.0424 0.0254 222 GLN D CB 6171 C CG . GLN D 223 ? 0.7551 0.6611 1.0897 -0.1801 0.0603 0.0576 222 GLN D CG 6172 C CD . GLN D 223 ? 0.7528 0.6738 1.0474 -0.1600 0.0691 0.0728 222 GLN D CD 6173 O OE1 . GLN D 223 ? 0.7568 0.6506 1.0232 -0.1453 0.0673 0.0789 222 GLN D OE1 6174 N NE2 . GLN D 223 ? 0.7419 0.7079 1.0364 -0.1592 0.0785 0.0768 222 GLN D NE2 6175 N N . ASP D 224 ? 0.8092 0.6062 1.1664 -0.1843 0.0247 -0.0110 223 ASP D N 6176 C CA . ASP D 224 ? 0.8301 0.5872 1.1858 -0.1781 0.0167 -0.0353 223 ASP D CA 6177 C C . ASP D 224 ? 0.7940 0.5560 1.1072 -0.1529 0.0128 -0.0473 223 ASP D C 6178 O O . ASP D 224 ? 0.8044 0.5612 1.1094 -0.1497 0.0037 -0.0793 223 ASP D O 6179 C CB . ASP D 224 ? 0.8765 0.5830 1.2553 -0.1811 0.0233 -0.0161 223 ASP D CB 6180 C CG . ASP D 224 ? 0.9409 0.6104 1.3576 -0.1969 0.0165 -0.0423 223 ASP D CG 6181 O OD1 . ASP D 224 ? 0.9771 0.6571 1.4258 -0.2214 0.0143 -0.0483 223 ASP D OD1 6182 O OD2 . ASP D 224 ? 0.9832 0.6147 1.4007 -0.1852 0.0136 -0.0588 223 ASP D OD2 6183 N N . ARG D 225 ? 0.7518 0.5258 1.0376 -0.1365 0.0202 -0.0226 224 ARG D N 6184 C CA . ARG D 225 ? 0.7079 0.4867 0.9563 -0.1139 0.0173 -0.0306 224 ARG D CA 6185 C C . ARG D 225 ? 0.6682 0.4822 0.8976 -0.1117 0.0079 -0.0541 224 ARG D C 6186 O O . ARG D 225 ? 0.6589 0.5005 0.9021 -0.1249 0.0040 -0.0581 224 ARG D O 6187 C CB . ARG D 225 ? 0.6955 0.4833 0.9208 -0.1000 0.0260 0.0000 224 ARG D CB 6188 C CG . ARG D 225 ? 0.6656 0.4915 0.8888 -0.1064 0.0328 0.0173 224 ARG D CG 6189 C CD . ARG D 225 ? 0.6475 0.4773 0.8492 -0.0959 0.0426 0.0465 224 ARG D CD 6190 N NE . ARG D 225 ? 0.6305 0.4981 0.8302 -0.1016 0.0519 0.0597 224 ARG D NE 6191 C CZ . ARG D 225 ? 0.5752 0.4752 0.7542 -0.0906 0.0523 0.0535 224 ARG D CZ 6192 N NH1 . ARG D 225 ? 0.5356 0.4343 0.6920 -0.0750 0.0433 0.0373 224 ARG D NH1 6193 N NH2 . ARG D 225 ? 0.5557 0.4893 0.7391 -0.0957 0.0628 0.0632 224 ARG D NH2 6194 N N . ALA D 226 ? 0.6365 0.4509 0.8366 -0.0957 0.0040 -0.0675 225 ALA D N 6195 C CA . ALA D 226 ? 0.6044 0.4516 0.7820 -0.0924 -0.0049 -0.0833 225 ALA D CA 6196 C C . ALA D 226 ? 0.5678 0.4513 0.7436 -0.0922 -0.0041 -0.0657 225 ALA D C 6197 O O . ALA D 226 ? 0.5552 0.4407 0.7285 -0.0860 0.0058 -0.0421 225 ALA D O 6198 C CB . ALA D 226 ? 0.5921 0.4359 0.7373 -0.0742 -0.0052 -0.0904 225 ALA D CB 6199 N N . LYS D 227 ? 0.5442 0.4575 0.7221 -0.0990 -0.0150 -0.0779 226 LYS D N 6200 C CA . LYS D 227 ? 0.5095 0.4588 0.6914 -0.0967 -0.0158 -0.0651 226 LYS D CA 6201 C C . LYS D 227 ? 0.4770 0.4314 0.6283 -0.0767 -0.0122 -0.0546 226 LYS D C 6202 O O . LYS D 227 ? 0.4752 0.4272 0.6013 -0.0683 -0.0191 -0.0647 226 LYS D O 6203 C CB . LYS D 227 ? 0.5115 0.4904 0.7019 -0.1058 -0.0320 -0.0807 226 LYS D CB 6204 C CG . LYS D 227 ? 0.5015 0.5192 0.7093 -0.1044 -0.0343 -0.0691 226 LYS D CG 6205 C CD . LYS D 227 ? 0.5386 0.5847 0.7466 -0.1087 -0.0545 -0.0823 226 LYS D CD 6206 C CE . LYS D 227 ? 0.5504 0.6363 0.7890 -0.1093 -0.0591 -0.0729 226 LYS D CE 6207 N NZ . LYS D 227 ? 0.6027 0.7133 0.8643 -0.1267 -0.0778 -0.0873 226 LYS D NZ 6208 N N . PRO D 228 ? 0.4530 0.4144 0.6060 -0.0703 -0.0006 -0.0351 227 PRO D N 6209 C CA . PRO D 228 ? 0.4271 0.3887 0.5527 -0.0528 0.0034 -0.0267 227 PRO D CA 6210 C C . PRO D 228 ? 0.4039 0.3928 0.5242 -0.0450 -0.0050 -0.0301 227 PRO D C 6211 O O . PRO D 228 ? 0.3888 0.3962 0.5151 -0.0388 0.0006 -0.0214 227 PRO D O 6212 C CB . PRO D 228 ? 0.4316 0.3945 0.5625 -0.0524 0.0184 -0.0076 227 PRO D CB 6213 C CG . PRO D 228 ? 0.4322 0.4118 0.5966 -0.0682 0.0219 -0.0049 227 PRO D CG 6214 C CD . PRO D 228 ? 0.4547 0.4244 0.6346 -0.0808 0.0102 -0.0211 227 PRO D CD 6215 N N . VAL D 229 ? 0.3979 0.3893 0.5083 -0.0460 -0.0185 -0.0431 228 VAL D N 6216 C CA . VAL D 229 ? 0.3892 0.4037 0.4948 -0.0397 -0.0299 -0.0434 228 VAL D CA 6217 C C . VAL D 229 ? 0.3799 0.3891 0.4624 -0.0240 -0.0264 -0.0357 228 VAL D C 6218 O O . VAL D 229 ? 0.3816 0.3699 0.4451 -0.0185 -0.0186 -0.0343 228 VAL D O 6219 C CB . VAL D 229 ? 0.4070 0.4272 0.5015 -0.0470 -0.0461 -0.0574 228 VAL D CB 6220 C CG1 . VAL D 229 ? 0.4170 0.4478 0.5376 -0.0645 -0.0532 -0.0682 228 VAL D CG1 6221 C CG2 . VAL D 229 ? 0.4016 0.3979 0.4667 -0.0447 -0.0433 -0.0671 228 VAL D CG2 6222 N N . THR D 230 ? 0.3690 0.3975 0.4573 -0.0169 -0.0334 -0.0308 229 THR D N 6223 C CA . THR D 230 ? 0.3665 0.3904 0.4353 -0.0047 -0.0353 -0.0257 229 THR D CA 6224 C C . THR D 230 ? 0.3720 0.3825 0.4118 -0.0068 -0.0403 -0.0315 229 THR D C 6225 O O . THR D 230 ? 0.3915 0.4083 0.4273 -0.0160 -0.0500 -0.0396 229 THR D O 6226 C CB . THR D 230 ? 0.3645 0.4101 0.4500 0.0007 -0.0470 -0.0200 229 THR D CB 6227 O OG1 . THR D 230 ? 0.3516 0.4114 0.4671 0.0041 -0.0386 -0.0177 229 THR D OG1 6228 C CG2 . THR D 230 ? 0.3438 0.3815 0.4124 0.0115 -0.0506 -0.0134 229 THR D CG2 6229 N N . GLN D 231 ? 0.3637 0.3585 0.3842 0.0007 -0.0329 -0.0290 230 GLN D N 6230 C CA . GLN D 231 ? 0.3691 0.3521 0.3656 -0.0003 -0.0328 -0.0357 230 GLN D CA 6231 C C . GLN D 231 ? 0.3626 0.3352 0.3452 0.0092 -0.0261 -0.0301 230 GLN D C 6232 O O . GLN D 231 ? 0.3504 0.3203 0.3394 0.0156 -0.0199 -0.0235 230 GLN D O 6233 C CB . GLN D 231 ? 0.3733 0.3421 0.3728 -0.0069 -0.0268 -0.0466 230 GLN D CB 6234 C CG . GLN D 231 ? 0.3511 0.3046 0.3603 -0.0031 -0.0149 -0.0399 230 GLN D CG 6235 C CD . GLN D 231 ? 0.3743 0.3124 0.3957 -0.0110 -0.0111 -0.0473 230 GLN D CD 6236 O OE1 . GLN D 231 ? 0.3899 0.3323 0.4316 -0.0204 -0.0119 -0.0476 230 GLN D OE1 6237 N NE2 . GLN D 231 ? 0.3510 0.2713 0.3648 -0.0076 -0.0073 -0.0538 230 GLN D NE2 6238 N N . ILE D 232 ? 0.3797 0.3492 0.3432 0.0090 -0.0269 -0.0343 231 ILE D N 6239 C CA . ILE D 232 ? 0.3684 0.3295 0.3213 0.0162 -0.0206 -0.0310 231 ILE D CA 6240 C C . ILE D 232 ? 0.3764 0.3246 0.3287 0.0173 -0.0124 -0.0391 231 ILE D C 6241 O O . ILE D 232 ? 0.3973 0.3432 0.3488 0.0119 -0.0122 -0.0510 231 ILE D O 6242 C CB . ILE D 232 ? 0.3737 0.3430 0.3099 0.0149 -0.0253 -0.0286 231 ILE D CB 6243 C CG1 . ILE D 232 ? 0.3839 0.3607 0.3259 0.0163 -0.0340 -0.0166 231 ILE D CG1 6244 C CG2 . ILE D 232 ? 0.3385 0.3018 0.2665 0.0199 -0.0178 -0.0284 231 ILE D CG2 6245 C CD1 . ILE D 232 ? 0.3836 0.3704 0.3109 0.0115 -0.0424 -0.0094 231 ILE D CD1 6246 N N . VAL D 233 ? 0.3759 0.3159 0.3304 0.0245 -0.0065 -0.0330 232 VAL D N 6247 C CA . VAL D 233 ? 0.3744 0.3030 0.3310 0.0285 -0.0006 -0.0371 232 VAL D CA 6248 C C . VAL D 233 ? 0.3694 0.3023 0.3182 0.0351 0.0006 -0.0328 232 VAL D C 6249 O O . VAL D 233 ? 0.3723 0.3097 0.3181 0.0375 -0.0011 -0.0245 232 VAL D O 6250 C CB . VAL D 233 ? 0.3796 0.2961 0.3489 0.0299 0.0032 -0.0300 232 VAL D CB 6251 C CG1 . VAL D 233 ? 0.3826 0.2847 0.3600 0.0351 0.0072 -0.0327 232 VAL D CG1 6252 C CG2 . VAL D 233 ? 0.3761 0.2918 0.3573 0.0206 0.0019 -0.0325 232 VAL D CG2 6253 N N . SER D 234 ? 0.3712 0.3043 0.3193 0.0377 0.0041 -0.0405 233 SER D N 6254 C CA . SER D 234 ? 0.3681 0.3093 0.3127 0.0424 0.0052 -0.0368 233 SER D CA 6255 C C . SER D 234 ? 0.3735 0.3118 0.3298 0.0497 0.0102 -0.0421 233 SER D C 6256 O O . SER D 234 ? 0.3707 0.2987 0.3373 0.0511 0.0135 -0.0510 233 SER D O 6257 C CB . SER D 234 ? 0.3656 0.3207 0.2975 0.0363 0.0040 -0.0391 233 SER D CB 6258 O OG . SER D 234 ? 0.3869 0.3474 0.3152 0.0333 0.0088 -0.0527 233 SER D OG 6259 N N . ALA D 235 ? 0.3621 0.3093 0.3207 0.0544 0.0100 -0.0371 234 ALA D N 6260 C CA . ALA D 235 ? 0.3817 0.3315 0.3562 0.0629 0.0135 -0.0407 234 ALA D CA 6261 C C . ALA D 235 ? 0.3805 0.3503 0.3529 0.0613 0.0148 -0.0411 234 ALA D C 6262 O O . ALA D 235 ? 0.3744 0.3500 0.3360 0.0555 0.0106 -0.0339 234 ALA D O 6263 C CB . ALA D 235 ? 0.3738 0.3146 0.3597 0.0711 0.0089 -0.0279 234 ALA D CB 6264 N N . GLU D 236 ? 0.3961 0.3764 0.3830 0.0665 0.0210 -0.0500 235 GLU D N 6265 C CA . GLU D 236 ? 0.4147 0.4172 0.3999 0.0616 0.0262 -0.0539 235 GLU D CA 6266 C C . GLU D 236 ? 0.4138 0.4310 0.4256 0.0715 0.0304 -0.0582 235 GLU D C 6267 O O . GLU D 236 ? 0.4118 0.4204 0.4429 0.0823 0.0321 -0.0639 235 GLU D O 6268 C CB . GLU D 236 ? 0.4383 0.4445 0.4075 0.0534 0.0334 -0.0661 235 GLU D CB 6269 C CG . GLU D 236 ? 0.4934 0.5224 0.4636 0.0505 0.0451 -0.0789 235 GLU D CG 6270 C CD . GLU D 236 ? 0.5273 0.5579 0.5210 0.0617 0.0541 -0.0964 235 GLU D CD 6271 O OE1 . GLU D 236 ? 0.5687 0.5786 0.5692 0.0671 0.0532 -0.1049 235 GLU D OE1 6272 O OE2 . GLU D 236 ? 0.5490 0.6026 0.5580 0.0647 0.0628 -0.1021 235 GLU D OE2 6273 N N . ALA D 237 ? 0.4052 0.4445 0.4221 0.0676 0.0311 -0.0545 236 ALA D N 6274 C CA . ALA D 237 ? 0.4081 0.4699 0.4539 0.0753 0.0366 -0.0603 236 ALA D CA 6275 C C . ALA D 237 ? 0.4089 0.4985 0.4544 0.0643 0.0429 -0.0601 236 ALA D C 6276 O O . ALA D 237 ? 0.4049 0.4926 0.4324 0.0522 0.0380 -0.0501 236 ALA D O 6277 C CB . ALA D 237 ? 0.4014 0.4619 0.4681 0.0863 0.0251 -0.0497 236 ALA D CB 6278 N N . TRP D 238 ? 0.4124 0.5277 0.4812 0.0685 0.0545 -0.0712 237 TRP D N 6279 C CA . TRP D 238 ? 0.4155 0.5619 0.4891 0.0571 0.0626 -0.0702 237 TRP D CA 6280 C C . TRP D 238 ? 0.4069 0.5716 0.5118 0.0612 0.0547 -0.0629 237 TRP D C 6281 O O . TRP D 238 ? 0.3991 0.5629 0.5294 0.0767 0.0484 -0.0640 237 TRP D O 6282 C CB . TRP D 238 ? 0.4327 0.6042 0.5149 0.0580 0.0826 -0.0888 237 TRP D CB 6283 C CG . TRP D 238 ? 0.4431 0.6053 0.4910 0.0501 0.0907 -0.0979 237 TRP D CG 6284 C CD1 . TRP D 238 ? 0.4527 0.5923 0.4927 0.0578 0.0908 -0.1109 237 TRP D CD1 6285 C CD2 . TRP D 238 ? 0.4436 0.6210 0.4613 0.0318 0.0985 -0.0940 237 TRP D CD2 6286 N NE1 . TRP D 238 ? 0.4707 0.6129 0.4768 0.0454 0.0975 -0.1176 237 TRP D NE1 6287 C CE2 . TRP D 238 ? 0.4681 0.6338 0.4583 0.0297 0.1019 -0.1059 237 TRP D CE2 6288 C CE3 . TRP D 238 ? 0.4306 0.6304 0.4427 0.0157 0.1022 -0.0799 237 TRP D CE3 6289 C CZ2 . TRP D 238 ? 0.4643 0.6425 0.4183 0.0128 0.1075 -0.1031 237 TRP D CZ2 6290 C CZ3 . TRP D 238 ? 0.4370 0.6466 0.4145 -0.0009 0.1089 -0.0750 237 TRP D CZ3 6291 C CH2 . TRP D 238 ? 0.4469 0.6467 0.3941 -0.0019 0.1107 -0.0859 237 TRP D CH2 6292 N N . GLY D 239 ? 0.4048 0.5867 0.5096 0.0466 0.0541 -0.0545 238 GLY D N 6293 C CA . GLY D 239 ? 0.4088 0.6159 0.5468 0.0473 0.0477 -0.0505 238 GLY D CA 6294 C C . GLY D 239 ? 0.4148 0.6551 0.5915 0.0587 0.0599 -0.0629 238 GLY D C 6295 O O . GLY D 239 ? 0.4273 0.6725 0.6017 0.0627 0.0764 -0.0766 238 GLY D O 6296 N N . ARG D 240 ? 0.4171 0.6819 0.6311 0.0641 0.0516 -0.0599 239 ARG D N 6297 C CA . ARG D 240 ? 0.4266 0.7286 0.6881 0.0767 0.0619 -0.0712 239 ARG D CA 6298 C C . ARG D 240 ? 0.4158 0.7494 0.7165 0.0767 0.0485 -0.0637 239 ARG D C 6299 O O . ARG D 240 ? 0.4006 0.7208 0.6917 0.0735 0.0275 -0.0515 239 ARG D O 6300 C CB . ARG D 240 ? 0.4324 0.7173 0.7086 0.1005 0.0611 -0.0794 239 ARG D CB 6301 C CG . ARG D 240 ? 0.4643 0.7410 0.7588 0.1136 0.0374 -0.0657 239 ARG D CG 6302 C CD . ARG D 240 ? 0.5248 0.7627 0.8079 0.1283 0.0300 -0.0628 239 ARG D CD 6303 N NE . ARG D 240 ? 0.5385 0.7411 0.7725 0.1175 0.0340 -0.0634 239 ARG D NE 6304 C CZ . ARG D 240 ? 0.5607 0.7289 0.7821 0.1264 0.0324 -0.0640 239 ARG D CZ 6305 N NH1 . ARG D 240 ? 0.5385 0.6999 0.7924 0.1459 0.0267 -0.0622 239 ARG D NH1 6306 N NH2 . ARG D 240 ? 0.5471 0.6881 0.7273 0.1157 0.0355 -0.0649 239 ARG D NH2 6307 N N . ALA D 241 ? 0.4151 0.7932 0.7610 0.0806 0.0608 -0.0727 240 ALA D N 6308 C CA . ALA D 241 ? 0.4133 0.8306 0.8047 0.0800 0.0495 -0.0675 240 ALA D CA 6309 C C . ALA D 241 ? 0.4122 0.8222 0.8228 0.0986 0.0240 -0.0586 240 ALA D C 6310 O O . ALA D 241 ? 0.4225 0.8081 0.8320 0.1182 0.0215 -0.0596 240 ALA D O 6311 C CB . ALA D 241 ? 0.4160 0.8842 0.8566 0.0841 0.0707 -0.0811 240 ALA D CB 6312 C C1 . NAG E . ? 0.8210 0.6227 0.9305 -0.1824 0.1671 -0.0839 286 NAG A C1 6313 C C2 . NAG E . ? 0.8440 0.6777 0.9840 -0.1961 0.1787 -0.0893 286 NAG A C2 6314 C C3 . NAG E . ? 0.9105 0.7180 1.0639 -0.2254 0.2107 -0.0990 286 NAG A C3 6315 C C4 . NAG E . ? 0.9637 0.6970 1.0744 -0.2281 0.2331 -0.0861 286 NAG A C4 6316 C C5 . NAG E . ? 0.9608 0.6757 1.0494 -0.2125 0.2140 -0.0852 286 NAG A C5 6317 C C6 . NAG E . ? 1.0414 0.6813 1.0831 -0.2095 0.2329 -0.0719 286 NAG A C6 6318 C C7 . NAG E . ? 0.8192 0.7614 1.0350 -0.2033 0.1566 -0.1181 286 NAG A C7 6319 C C8 . NAG E . ? 0.7965 0.7968 1.0520 -0.2032 0.1335 -0.1413 286 NAG A C8 6320 N N2 . NAG E . ? 0.8303 0.7258 1.0146 -0.2000 0.1591 -0.1103 286 NAG A N2 6321 O O3 . NAG E . ? 0.9081 0.7324 1.0764 -0.2342 0.2273 -0.0968 286 NAG A O3 6322 O O4 . NAG E . ? 1.0223 0.7395 1.1559 -0.2596 0.2594 -0.1021 286 NAG A O4 6323 O O5 . NAG E . ? 0.9114 0.6489 0.9836 -0.1843 0.1895 -0.0712 286 NAG A O5 6324 O O6 . NAG E . ? 1.0509 0.6843 1.0737 -0.1900 0.2115 -0.0704 286 NAG A O6 6325 O O7 . NAG E . ? 0.8298 0.7700 1.0419 -0.2040 0.1712 -0.1079 286 NAG A O7 6326 C C1 . NAG F . ? 0.5875 0.4396 0.5341 -0.0329 0.1156 0.0345 287 NAG A C1 6327 C C2 . NAG F . ? 0.6494 0.4673 0.5873 -0.0454 0.1399 0.0361 287 NAG A C2 6328 C C3 . NAG F . ? 0.6966 0.4747 0.6020 -0.0360 0.1423 0.0444 287 NAG A C3 6329 C C4 . NAG F . ? 0.7247 0.4892 0.5920 -0.0113 0.1338 0.0564 287 NAG A C4 6330 C C5 . NAG F . ? 0.6812 0.4879 0.5662 -0.0029 0.1092 0.0516 287 NAG A C5 6331 C C6 . NAG F . ? 0.6959 0.4960 0.5484 0.0202 0.0991 0.0597 287 NAG A C6 6332 C C7 . NAG F . ? 0.6457 0.4868 0.6406 -0.0827 0.1617 0.0157 287 NAG A C7 6333 C C8 . NAG F . ? 0.6223 0.4892 0.6591 -0.1018 0.1606 -0.0020 287 NAG A C8 6334 N N2 . NAG F . ? 0.6286 0.4658 0.6046 -0.0655 0.1429 0.0221 287 NAG A N2 6335 O O3 . NAG F . ? 0.7204 0.4593 0.6125 -0.0475 0.1679 0.0473 287 NAG A O3 6336 O O4 . NAG F . ? 0.7879 0.5190 0.6266 0.0000 0.1342 0.0627 287 NAG A O4 6337 O O5 . NAG F . ? 0.6128 0.4495 0.5252 -0.0132 0.1090 0.0448 287 NAG A O5 6338 O O6 . NAG F . ? 0.7516 0.5346 0.5794 0.0259 0.1122 0.0666 287 NAG A O6 6339 O O7 . NAG F . ? 0.6938 0.5212 0.6742 -0.0830 0.1792 0.0223 287 NAG A O7 6340 C C1 . NAG G . ? 0.5002 0.4805 0.5920 -0.1504 0.0956 -0.0132 288 NAG A C1 6341 C C2 . NAG G . ? 0.5112 0.5293 0.6373 -0.1678 0.1063 -0.0261 288 NAG A C2 6342 C C3 . NAG G . ? 0.5261 0.5438 0.6424 -0.1655 0.1211 -0.0148 288 NAG A C3 6343 C C4 . NAG G . ? 0.6089 0.5701 0.6854 -0.1645 0.1382 0.0035 288 NAG A C4 6344 C C5 . NAG G . ? 0.6213 0.5489 0.6671 -0.1466 0.1238 0.0133 288 NAG A C5 6345 C C6 . NAG G . ? 0.6995 0.5690 0.7030 -0.1424 0.1388 0.0302 288 NAG A C6 6346 C C7 . NAG G . ? 0.4773 0.5667 0.6579 -0.1732 0.0809 -0.0601 288 NAG A C7 6347 C C8 . NAG G . ? 0.4315 0.5744 0.6382 -0.1637 0.0625 -0.0749 288 NAG A C8 6348 N N2 . NAG G . ? 0.4567 0.5271 0.6138 -0.1636 0.0890 -0.0420 288 NAG A N2 6349 O O3 . NAG G . ? 0.5120 0.5637 0.6621 -0.1840 0.1342 -0.0280 288 NAG A O3 6350 O O4 . NAG G . ? 0.6321 0.5948 0.6931 -0.1544 0.1457 0.0150 288 NAG A O4 6351 O O5 . NAG G . ? 0.5834 0.5148 0.6437 -0.1518 0.1123 0.0013 288 NAG A O5 6352 O O6 . NAG G . ? 0.7667 0.6122 0.7491 -0.1268 0.1243 0.0349 288 NAG A O6 6353 O O7 . NAG G . ? 0.5043 0.5679 0.6835 -0.1876 0.0873 -0.0652 288 NAG A O7 6354 C C1 . NAG H . ? 0.7142 0.6718 0.7793 -0.1720 0.1724 0.0160 289 NAG A C1 6355 C C2 . NAG H . ? 0.7569 0.6886 0.7833 -0.1568 0.1823 0.0346 289 NAG A C2 6356 C C3 . NAG H . ? 0.8092 0.7372 0.8377 -0.1739 0.2128 0.0368 289 NAG A C3 6357 C C4 . NAG H . ? 0.7937 0.7826 0.8738 -0.1890 0.2151 0.0179 289 NAG A C4 6358 C C5 . NAG H . ? 0.7756 0.7897 0.8935 -0.2023 0.2013 -0.0013 289 NAG A C5 6359 C C6 . NAG H . ? 0.7578 0.8376 0.9285 -0.2138 0.1989 -0.0231 289 NAG A C6 6360 C C7 . NAG H . ? 0.7595 0.6308 0.7130 -0.1172 0.1664 0.0605 289 NAG A C7 6361 C C8 . NAG H . ? 0.7906 0.6120 0.7014 -0.1018 0.1635 0.0736 289 NAG A C8 6362 N N2 . NAG H . ? 0.7783 0.6573 0.7602 -0.1423 0.1799 0.0499 289 NAG A N2 6363 O O3 . NAG H . ? 0.8293 0.7379 0.8210 -0.1571 0.2204 0.0529 289 NAG A O3 6364 O O4 . NAG H . ? 0.8351 0.8189 0.9198 -0.2086 0.2467 0.0188 289 NAG A O4 6365 O O5 . NAG H . ? 0.7167 0.7289 0.8239 -0.1824 0.1732 0.0002 289 NAG A O5 6366 O O6 . NAG H . ? 0.7153 0.8318 0.8992 -0.1947 0.1694 -0.0307 289 NAG A O6 6367 O O7 . NAG H . ? 0.7319 0.6352 0.6930 -0.1059 0.1563 0.0588 289 NAG A O7 6368 C C1 . FUC I . ? 0.7932 0.6300 0.7475 -0.1018 0.1136 0.0475 290 FUC A C1 6369 C C2 . FUC I . ? 0.8286 0.6288 0.7563 -0.0886 0.1064 0.0531 290 FUC A C2 6370 C C3 . FUC I . ? 0.8079 0.6296 0.7594 -0.0903 0.0897 0.0404 290 FUC A C3 6371 C C4 . FUC I . ? 0.7675 0.6363 0.7408 -0.0815 0.0717 0.0347 290 FUC A C4 6372 C C5 . FUC I . ? 0.7499 0.6489 0.7432 -0.0917 0.0791 0.0312 290 FUC A C5 6373 C C6 . FUC I . ? 0.6852 0.6258 0.6965 -0.0825 0.0637 0.0263 290 FUC A C6 6374 O O2 . FUC I . ? 0.9125 0.6634 0.8164 -0.0971 0.1258 0.0595 290 FUC A O2 6375 O O3 . FUC I . ? 0.8074 0.5972 0.7378 -0.0797 0.0845 0.0434 290 FUC A O3 6376 O O4 . FUC I . ? 0.7511 0.6185 0.7064 -0.0603 0.0603 0.0427 290 FUC A O4 6377 O O5 . FUC I . ? 0.7701 0.6479 0.7415 -0.0905 0.0946 0.0427 290 FUC A O5 6378 C CAA . QUY J . ? 0.4386 0.4378 0.4654 -0.0248 -0.0170 0.0034 291 QUY A CAA 6379 C CAB . QUY J . ? 0.4522 0.4304 0.4707 -0.0254 -0.0152 0.0025 291 QUY A CAB 6380 C CAC . QUY J . ? 0.4244 0.4035 0.4478 -0.0323 -0.0166 -0.0072 291 QUY A CAC 6381 C CAD . QUY J . ? 0.4043 0.3887 0.4242 -0.0244 -0.0226 -0.0112 291 QUY A CAD 6382 C CAE . QUY J . ? 0.4377 0.4159 0.4573 -0.0292 -0.0244 -0.0217 291 QUY A CAE 6383 C CAF . QUY J . ? 0.4555 0.4446 0.4707 -0.0207 -0.0308 -0.0272 291 QUY A CAF 6384 C CAG . QUY J . ? 0.4369 0.4179 0.4414 -0.0100 -0.0293 -0.0211 291 QUY A CAG 6385 C CAH . QUY J . ? 0.4564 0.4471 0.4536 -0.0012 -0.0323 -0.0233 291 QUY A CAH 6386 C CAI . QUY J . ? 0.4484 0.4337 0.4391 0.0069 -0.0275 -0.0173 291 QUY A CAI 6387 C CAJ . QUY J . ? 0.4477 0.4426 0.4375 0.0112 -0.0244 -0.0107 291 QUY A CAJ 6388 C CAK . QUY J . ? 0.4500 0.4490 0.4495 0.0072 -0.0226 -0.0042 291 QUY A CAK 6389 C CAL . QUY J . ? 0.4529 0.4555 0.4524 0.0103 -0.0168 0.0010 291 QUY A CAL 6390 C CAM . QUY J . ? 0.4638 0.4712 0.4697 0.0068 -0.0171 0.0052 291 QUY A CAM 6391 C CAN . QUY J . ? 0.4851 0.4944 0.5006 0.0048 -0.0152 0.0071 291 QUY A CAN 6392 C CAO . QUY J . ? 0.4460 0.4588 0.4659 0.0019 -0.0162 0.0099 291 QUY A CAO 6393 C CAP . QUY J . ? 0.4273 0.4393 0.4481 -0.0009 -0.0201 0.0099 291 QUY A CAP 6394 C CAQ . QUY J . ? 0.4297 0.4429 0.4537 -0.0019 -0.0205 0.0123 291 QUY A CAQ 6395 C CAR . QUY J . ? 0.4791 0.4927 0.5028 -0.0059 -0.0210 0.0131 291 QUY A CAR 6396 C CAS . QUY J . ? 0.4613 0.4843 0.4871 -0.0059 -0.0215 0.0125 291 QUY A CAS 6397 C CAT . QUY J . ? 0.4471 0.4760 0.4773 -0.0109 -0.0210 0.0109 291 QUY A CAT 6398 C CAU . QUY J . ? 0.3820 0.4230 0.4154 -0.0086 -0.0214 0.0104 291 QUY A CAU 6399 C CAV . QUY J . ? 0.3387 0.3922 0.3758 -0.0068 -0.0251 0.0046 291 QUY A CAV 6400 C CAW . QUY J . ? 0.3216 0.3901 0.3626 -0.0022 -0.0262 0.0027 291 QUY A CAW 6401 C CAX . QUY J . ? 0.2740 0.3582 0.3182 0.0026 -0.0323 -0.0050 291 QUY A CAX 6402 C CAY . QUY J . ? 0.2783 0.3798 0.3252 0.0117 -0.0352 -0.0082 291 QUY A CAY 6403 C CAZ . QUY J . ? 0.3062 0.3945 0.3356 0.0249 -0.0358 -0.0022 291 QUY A CAZ 6404 O OBA . QUY J . ? 0.3150 0.3881 0.3301 0.0303 -0.0362 0.0009 291 QUY A OBA 6405 N NBB . QUY J . ? 0.3137 0.4051 0.3432 0.0295 -0.0339 -0.0007 291 QUY A NBB 6406 C CBC . QUY J . ? 0.3342 0.4086 0.3459 0.0415 -0.0330 0.0043 291 QUY A CBC 6407 C CBD . QUY J . ? 0.3220 0.3924 0.3345 0.0409 -0.0287 0.0066 291 QUY A CBD 6408 O OBE . QUY J . ? 0.3468 0.3958 0.3410 0.0510 -0.0269 0.0107 291 QUY A OBE 6409 C CBF . QUY J . ? 0.3361 0.3981 0.3541 0.0278 -0.0241 0.0097 291 QUY A CBF 6410 O OBG . QUY J . ? 0.3375 0.3970 0.3538 0.0295 -0.0212 0.0104 291 QUY A OBG 6411 C CBH . QUY J . ? 0.3252 0.3675 0.3360 0.0237 -0.0221 0.0135 291 QUY A CBH 6412 C CBI . QUY J . ? 0.3180 0.3547 0.3336 0.0145 -0.0196 0.0149 291 QUY A CBI 6413 C CBJ . QUY J . ? 0.3502 0.3970 0.3750 0.0073 -0.0199 0.0141 291 QUY A CBJ 6414 C CBK . QUY J . ? 0.3841 0.4220 0.4081 0.0027 -0.0188 0.0160 291 QUY A CBK 6415 C CBL . QUY J . ? 0.3827 0.4192 0.4031 0.0048 -0.0179 0.0160 291 QUY A CBL 6416 C CBM . QUY J . ? 0.3897 0.4206 0.4080 0.0035 -0.0192 0.0161 291 QUY A CBM 6417 C CBN . QUY J . ? 0.3850 0.4159 0.3969 0.0070 -0.0194 0.0152 291 QUY A CBN 6418 C CBO . QUY J . ? 0.3762 0.4039 0.3885 0.0086 -0.0219 0.0100 291 QUY A CBO 6419 C CBP . QUY J . ? 0.3748 0.4028 0.3796 0.0132 -0.0237 0.0067 291 QUY A CBP 6420 C CBQ . QUY J . ? 0.3962 0.4193 0.4033 0.0126 -0.0248 -0.0002 291 QUY A CBQ 6421 C CBR . QUY J . ? 0.4134 0.4383 0.4163 0.0159 -0.0297 -0.0080 291 QUY A CBR 6422 C CBS . QUY J . ? 0.4073 0.4241 0.4073 0.0165 -0.0286 -0.0144 291 QUY A CBS 6423 C CBT . QUY J . ? 0.4088 0.4193 0.4191 0.0086 -0.0280 -0.0228 291 QUY A CBT 6424 C CBU . QUY J . ? 0.3919 0.3914 0.3977 0.0086 -0.0275 -0.0322 291 QUY A CBU 6425 C CBV . QUY J . ? 0.3225 0.4060 0.3249 0.0583 -0.0396 0.0004 291 QUY A CBV 6426 O OBW . QUY J . ? 0.3384 0.4489 0.3556 0.0614 -0.0424 -0.0064 291 QUY A OBW 6427 C CBX . QUY J . ? 0.3767 0.5085 0.3928 0.0777 -0.0511 -0.0143 291 QUY A CBX 6428 O OBY . QUY J . ? 0.4352 0.5803 0.4595 0.0720 -0.0566 -0.0212 291 QUY A OBY 6429 C CBZ . QUY J . ? 0.3576 0.5191 0.3932 0.0788 -0.0512 -0.0216 291 QUY A CBZ 6430 O OCA . QUY J . ? 0.4301 0.5748 0.4602 0.0769 -0.0434 -0.0144 291 QUY A OCA 6431 C CCB . QUY J . ? 0.3440 0.5310 0.4088 0.0590 -0.0486 -0.0292 291 QUY A CCB 6432 O OCC . QUY J . ? 0.2805 0.5025 0.3657 0.0617 -0.0493 -0.0392 291 QUY A OCC 6433 C CCD . QUY J . ? 0.3870 0.5823 0.4590 0.0520 -0.0540 -0.0360 291 QUY A CCD 6434 O OCE . QUY J . ? 0.3950 0.6155 0.4683 0.0680 -0.0654 -0.0470 291 QUY A OCE 6435 C CCF . QUY J . ? 0.4502 0.6107 0.5004 0.0510 -0.0528 -0.0262 291 QUY A CCF 6436 C CDA . QUY J . ? 0.5304 0.6961 0.5879 0.0416 -0.0565 -0.0329 291 QUY A CDA 6437 N NDA . QUY J . ? 0.6006 0.7549 0.6385 0.0534 -0.0622 -0.0319 291 QUY A NDA 6438 O ODA . QUY J . ? 0.5078 0.6835 0.5851 0.0246 -0.0527 -0.0381 291 QUY A ODA 6439 C CDB . QUY J . ? 0.6816 0.8367 0.7181 0.0502 -0.0672 -0.0382 291 QUY A CDB 6440 C CDC . QUY J . ? 0.7640 0.9204 0.7776 0.0734 -0.0768 -0.0408 291 QUY A CDC 6441 C CDD . QUY J . ? 0.7856 0.9304 0.7822 0.0781 -0.0803 -0.0419 291 QUY A CDD 6442 C CDE . QUY J . ? 0.8362 0.9798 0.8067 0.1016 -0.0885 -0.0434 291 QUY A CDE 6443 C CDF . QUY J . ? 0.8545 1.0076 0.8157 0.1215 -0.0938 -0.0438 291 QUY A CDF 6444 C CDG . QUY J . ? 0.8378 1.0038 0.8182 0.1167 -0.0906 -0.0435 291 QUY A CDG 6445 C CDH . QUY J . ? 0.8004 0.9683 0.8069 0.0921 -0.0818 -0.0420 291 QUY A CDH 6452 O O . HOH L . ? 0.4386 0.3689 0.3114 0.0669 -0.0394 -0.0889 292 HOH A O 6453 O O . HOH L . ? 0.5583 0.5768 0.4143 0.1244 -0.0791 -0.0073 293 HOH A O 6454 O O . HOH L . ? 0.3222 0.2577 0.2434 0.0819 -0.0059 0.0194 294 HOH A O 6455 O O . HOH L . ? 0.4515 0.5323 0.5597 0.0082 -0.0160 0.0126 295 HOH A O 6456 O O . HOH L . ? 0.4250 0.3308 0.4048 -0.0348 -0.0434 -0.1029 296 HOH A O 6457 O O . HOH L . ? 0.6143 1.0804 1.4538 -0.0646 -0.2518 0.0864 297 HOH A O 6458 O O . HOH L . ? 0.2770 0.3877 0.3640 0.0158 -0.0572 -0.0525 298 HOH A O 6459 O O . HOH L . ? 0.6443 0.5904 0.5330 0.1039 -0.0507 0.0292 299 HOH A O 6460 O O . HOH L . ? 0.4397 0.6132 0.7025 -0.0979 0.0262 -0.1272 300 HOH A O 6461 O O . HOH L . ? 0.5991 0.4270 0.4484 0.2548 -0.0466 -0.0319 301 HOH A O 6462 O O . HOH L . ? 0.2376 0.2968 0.3109 -0.0040 0.0413 -0.0125 302 HOH A O 6463 O O . HOH L . ? 0.3756 0.2741 0.3023 -0.0046 0.0238 0.0528 303 HOH A O 6464 O O . HOH L . ? 0.7691 0.6263 0.8460 -0.1802 0.0661 -0.0735 304 HOH A O 6465 O O . HOH L . ? 0.4262 0.2392 0.3792 -0.0145 0.0393 -0.0267 305 HOH A O 6466 O O . HOH L . ? 0.9307 0.6446 0.6535 0.0191 0.1254 0.1219 306 HOH A O 6467 O O . HOH L . ? 0.4552 0.5684 0.4447 0.0396 0.0504 -0.0163 307 HOH A O 6468 O O . HOH L . ? 0.4216 0.4249 0.2692 0.0853 -0.0177 0.0117 308 HOH A O 6469 O O . HOH L . ? 0.4698 0.3900 0.3519 0.0565 0.0192 0.0397 309 HOH A O 6470 O O . HOH L . ? 0.4884 0.4672 0.4449 0.0202 0.0708 0.0142 310 HOH A O 6471 O O . HOH L . ? 0.4101 0.3142 0.9153 0.0405 0.0927 0.1460 311 HOH A O 6472 O O . HOH L . ? 0.6103 0.3645 0.4497 0.1317 -0.0208 0.0156 312 HOH A O 6473 O O . HOH L . ? 0.3403 0.5070 0.3824 0.0299 0.0402 -0.0002 313 HOH A O 6474 O O . HOH L . ? 0.3929 0.4151 0.2106 0.1072 0.0107 -0.0038 314 HOH A O 6475 O O . HOH L . ? 0.3735 0.3581 0.6210 -0.0078 0.0738 0.0233 315 HOH A O 6476 O O . HOH L . ? 0.5636 0.5475 1.3219 0.1123 0.1407 0.0510 316 HOH A O 6477 O O . HOH L . ? 0.4407 0.5085 0.3642 0.1389 -0.1054 -0.0288 317 HOH A O 6478 O O . HOH L . ? 0.3479 0.2758 0.3445 -0.0208 0.0454 0.0162 318 HOH A O 6479 O O . HOH L . ? 0.4644 0.3655 0.4056 0.0909 -0.0307 0.0022 319 HOH A O 6480 O O . HOH L . ? 0.4752 0.3781 0.3101 0.0776 0.0244 0.0433 320 HOH A O 6481 O O . HOH L . ? 0.6136 0.6069 0.5610 0.0345 0.0929 0.0042 321 HOH A O 6482 O O . HOH L . ? 0.4946 0.3332 0.3690 0.0506 0.0390 0.0450 322 HOH A O 6483 O O . HOH L . ? 0.5405 0.5294 0.4193 0.0389 0.0403 0.0493 323 HOH A O 6484 O O . HOH L . ? 0.4871 0.6604 0.5889 -0.0321 0.0446 -0.0054 324 HOH A O 6485 O O . HOH L . ? 0.5454 0.6004 0.4618 0.0523 0.0358 0.0214 325 HOH A O 6486 O O . HOH L . ? 0.6345 0.3922 0.6640 -0.1156 0.0923 -0.0919 326 HOH A O 6487 O O . HOH L . ? 0.5357 0.6284 0.5149 0.0181 0.0560 0.0244 327 HOH A O 6488 O O . HOH L . ? 0.4927 0.4524 0.3496 0.0792 0.0281 -0.0144 328 HOH A O 6489 O O . HOH L . ? 0.4464 0.5357 0.4234 0.0615 -0.0994 -0.1018 329 HOH A O 6490 O O . HOH L . ? 0.5364 0.5911 0.6293 -0.0358 -0.0640 -0.1664 330 HOH A O 6491 O O . HOH L . ? 0.4195 0.5202 0.5836 -0.0651 -0.0463 -0.1639 331 HOH A O 6492 O O . HOH L . ? 0.7059 0.3249 0.5947 -0.0582 0.0175 -0.0956 332 HOH A O 6493 O O . HOH L . ? 0.5730 0.4040 0.4305 0.0228 0.0324 0.0708 333 HOH A O 6494 O O . HOH L . ? 0.4549 0.4274 0.3155 0.0762 -0.0137 -0.0164 334 HOH A O 6495 O O . HOH L . ? 0.8568 0.6555 0.7012 0.1538 -0.0344 0.0199 335 HOH A O 6496 O O . HOH L . ? 0.5091 0.3720 0.4726 -0.0528 0.1571 0.0312 336 HOH A O 6497 O O . HOH L . ? 0.7024 0.6088 0.3482 0.1885 -0.0328 0.0441 337 HOH A O 6498 O O . HOH L . ? 0.6293 0.5374 0.4650 0.0556 0.1046 0.0353 338 HOH A O 6499 O O . HOH L . ? 0.8026 0.6350 0.8176 -0.1573 0.1218 0.0074 339 HOH A O 6500 O O . HOH L . ? 0.3943 0.3856 0.3713 0.0789 -0.0486 0.0064 340 HOH A O 6501 O O . HOH L . ? 0.4884 0.3219 0.3678 0.0313 0.0584 0.0486 341 HOH A O 6502 O O . HOH L . ? 0.6773 0.6873 0.6914 -0.0855 0.1221 0.0393 342 HOH A O 6503 O O . HOH L . ? 0.4086 0.3261 0.5363 -0.0118 0.1257 -0.0101 343 HOH A O 6504 O O . HOH L . ? 0.5779 0.6970 0.6620 0.0041 -0.0883 -0.1383 344 HOH A O 6505 O O . HOH L . ? 0.3513 0.6239 0.5098 -0.0024 -0.0502 -0.0769 345 HOH A O 6506 O O . HOH L . ? 0.5338 0.5474 0.3735 0.1125 -0.0581 -0.0236 346 HOH A O 6507 O O . HOH L . ? 0.4899 0.7106 0.5978 0.0881 -0.1156 -0.1055 347 HOH A O 6508 O O . HOH L . ? 0.4918 0.3707 0.3970 0.0255 0.0482 0.0435 348 HOH A O 6509 O O . HOH L . ? 0.5861 0.5707 0.4006 0.1041 -0.0573 -0.0743 349 HOH A O 6510 O O . HOH L . ? 0.5146 0.5290 0.4029 0.0503 0.0258 0.0338 350 HOH A O 6511 O O . HOH L . ? 0.5503 0.4857 0.7477 -0.0046 0.1556 -0.0218 351 HOH A O 6512 O O . HOH L . ? 0.4995 0.4574 0.4075 0.0652 -0.0398 -0.0855 352 HOH A O 6513 O O . HOH L . ? 0.5327 0.5915 0.3309 0.1883 -0.1282 -0.0506 353 HOH A O 6514 O O . HOH L . ? 0.7352 0.5750 0.5258 0.0842 0.0086 0.0762 354 HOH A O 6515 O O . HOH L . ? 0.4615 0.5716 0.5398 0.0913 0.0121 -0.0530 355 HOH A O 6516 O O . HOH L . ? 0.4268 0.5248 0.5762 -0.0440 0.0147 -0.0507 356 HOH A O 6517 O O . HOH L . ? 0.5949 0.3473 0.4381 0.0642 0.0473 0.0303 357 HOH A O 6518 O O . HOH L . ? 0.4768 0.2746 0.3535 0.0335 0.0555 0.0396 358 HOH A O 6519 O O . HOH L . ? 0.4350 0.3888 0.2665 0.0976 0.0282 -0.0319 359 HOH A O 6520 O O . HOH L . ? 0.3166 0.3154 0.3251 0.0016 0.0105 0.0146 360 HOH A O 6521 O O . HOH L . ? 0.5425 0.5750 0.5603 0.0440 0.0264 -0.0938 361 HOH A O 6522 O O . HOH L . ? 0.3124 0.2934 0.3097 -0.0016 0.0346 0.0179 362 HOH A O 6523 O O . HOH L . ? 0.5434 0.4968 0.3870 0.0824 -0.0490 -0.0924 363 HOH A O 6524 O O . HOH L . ? 0.7244 0.5541 0.4833 0.0728 0.1152 0.0638 364 HOH A O 6525 O O . HOH L . ? 0.5566 0.5385 0.3875 0.1432 -0.0755 0.0131 365 HOH A O 6526 O O . HOH L . ? 0.4305 0.4696 0.2904 0.1057 -0.0806 -0.0742 366 HOH A O 6527 O O . HOH L . ? 0.4657 0.5279 0.5888 -0.0474 0.0402 -0.0311 367 HOH A O 6528 O O . HOH L . ? 0.5358 0.4674 0.4670 0.0620 -0.0313 0.0311 368 HOH A O 6529 O O . HOH L . ? 0.2975 0.3951 0.3312 0.0327 -0.0193 0.0035 369 HOH A O 6530 O O . HOH L . ? 0.5294 0.6413 0.5421 0.0592 -0.0963 -0.0792 370 HOH A O 6531 O O . HOH L . ? 0.6949 0.5201 0.4966 0.0573 0.0896 0.0649 371 HOH A O 6532 O O . HOH L . ? 0.5425 0.4149 0.4106 0.0452 0.0495 0.0503 372 HOH A O 6533 O O . HOH L . ? 0.4536 0.3339 0.4535 0.0331 -0.0506 -0.0210 373 HOH A O 6534 O O . HOH L . ? 0.2255 0.5277 0.3667 0.0559 -0.0371 -0.0591 374 HOH A O 6535 O O . HOH L . ? 0.8602 0.4755 0.7785 -0.1577 0.1359 0.0039 375 HOH A O 6536 O O . HOH L . ? 0.4530 0.3509 0.4079 -0.0074 0.0613 0.0315 376 HOH A O 6537 O O . HOH L . ? 0.6272 0.4019 0.5735 -0.0617 0.1363 0.0218 377 HOH A O 6538 O O . HOH L . ? 0.9291 0.5966 0.7044 0.1355 -0.0054 0.0398 378 HOH A O 6539 O O . HOH L . ? 0.4735 0.4924 0.4077 0.0050 0.0635 0.0475 379 HOH A O 6540 O O . HOH L . ? 0.6089 0.7393 0.8487 -0.1068 0.0590 -0.1018 380 HOH A O 6541 O O . HOH L . ? 0.6247 0.5367 0.3739 0.1588 -0.0501 0.0444 381 HOH A O 6542 O O . HOH L . ? 0.7213 0.4367 0.7041 -0.1562 0.0902 -0.0339 382 HOH A O 6543 O O . HOH L . ? 0.7766 0.5484 0.6136 0.1095 -0.0181 -0.1070 383 HOH A O 6544 O O . HOH L . ? 0.5525 0.5078 0.4634 0.0273 -0.0800 -0.1436 384 HOH A O 6545 O O . HOH L . ? 0.4847 0.5080 0.9869 0.0487 0.1550 0.0174 385 HOH A O 6546 O O . HOH L . ? 0.5932 0.5424 0.3711 0.1068 -0.0060 0.0423 386 HOH A O 6547 O O . HOH L . ? 0.6099 0.4634 1.4258 0.1157 0.1338 0.0607 387 HOH A O 6548 O O . HOH L . ? 0.6005 0.6912 0.6246 0.0048 -0.0439 -0.0546 388 HOH A O 6549 O O . HOH L . ? 0.7018 0.4856 0.6622 -0.0929 0.0628 0.0092 389 HOH A O 6550 O O . HOH L . ? 0.7676 0.8033 1.5925 0.1363 -0.0659 0.3752 390 HOH A O 6551 O O . HOH L . ? 0.4952 0.6326 0.4792 0.1382 -0.1247 -0.0647 391 HOH A O 6552 O O . HOH L . ? 0.5336 0.3833 0.5378 -0.0559 0.0673 -0.0178 392 HOH A O 6553 O O . HOH L . ? 0.6686 0.5748 0.6813 -0.0732 -0.0408 -0.1295 393 HOH A O 6554 O O . HOH L . ? 0.6653 0.6023 0.7878 -0.2054 0.1135 -0.0494 394 HOH A O 6555 O O . HOH L . ? 0.6403 0.7303 0.7442 -0.0067 -0.0531 -0.0224 395 HOH A O 6556 O O . HOH L . ? 0.4009 0.6197 0.6150 -0.1133 0.0119 -0.0873 396 HOH A O 6557 O O . HOH L . ? 0.4734 0.5674 0.7286 -0.1436 0.0559 -0.1423 397 HOH A O 6558 O O . HOH L . ? 0.5706 0.3178 0.4845 -0.0113 0.0669 -0.0064 398 HOH A O 6559 O O . HOH L . ? 0.6867 0.8272 0.8506 0.0271 0.0034 0.2573 399 HOH A O 6560 O O . HOH L . ? 0.4811 0.4039 0.5873 0.0286 0.0464 -0.0042 400 HOH A O 6561 O O . HOH L . ? 0.4583 0.3952 0.2734 0.1080 -0.0070 -0.0719 401 HOH A O 6562 O O . HOH L . ? 0.6607 0.6339 0.5545 0.1017 0.0348 -0.0505 402 HOH A O 6563 O O . HOH L . ? 0.5308 0.6685 0.6082 -0.0084 0.0027 -0.0024 403 HOH A O 6564 O O . HOH L . ? 0.4004 0.5473 0.4166 0.0217 0.0630 0.0106 404 HOH A O 6565 O O . HOH L . ? 0.5803 0.3711 0.8333 0.0004 0.1031 -0.1500 405 HOH A O 6566 O O . HOH L . ? 0.6068 0.5696 0.4048 0.1087 -0.0258 -0.0455 406 HOH A O 6567 O O . HOH L . ? 0.7940 0.7547 0.6278 0.0884 -0.0040 -0.0224 407 HOH A O 6568 O O . HOH L . ? 0.5272 0.4814 0.3810 0.0970 0.0184 -0.0480 408 HOH A O 6569 O O . HOH L . ? 0.4575 0.6412 0.6080 0.0160 -0.0669 -0.0917 409 HOH A O 6570 O O . HOH L . ? 0.3778 0.4829 0.4283 0.0067 -0.0080 0.0054 410 HOH A O 6571 O O . HOH L . ? 0.5182 0.5813 0.5998 -0.0303 0.0383 -0.0700 411 HOH A O 6572 O O . HOH L . ? 0.5795 0.4795 0.4628 0.0480 -0.0515 -0.1152 412 HOH A O 6573 O O . HOH L . ? 0.7127 0.6424 0.4598 0.1428 -0.0161 0.0176 413 HOH A O 6574 O O . HOH L . ? 0.6049 0.8893 0.7557 -0.0014 0.0471 -0.0337 414 HOH A O 6575 O O . HOH L . ? 0.6433 0.6964 0.7364 -0.0383 0.1040 -0.0162 415 HOH A O 6576 O O . HOH M . ? 0.3953 0.4659 0.3903 0.0412 -0.0065 0.0175 100 HOH B O 6577 O O . HOH M . ? 0.3865 0.4129 0.3897 0.0942 -0.0546 -0.0100 101 HOH B O 6578 O O . HOH M . ? 0.3322 0.4773 0.4505 0.0499 0.0394 -0.0518 102 HOH B O 6579 O O . HOH M . ? 0.3797 0.3631 0.6260 -0.0205 0.1675 -0.0009 103 HOH B O 6580 O O . HOH M . ? 0.5354 0.5522 0.6536 0.0518 0.1089 0.0722 104 HOH B O 6581 O O . HOH M . ? 0.4981 0.3628 0.6064 -0.0369 0.0634 0.0277 105 HOH B O 6582 O O . HOH M . ? 0.4126 0.5392 0.4748 0.0321 -0.0199 0.0381 106 HOH B O 6583 O O . HOH M . ? 0.4474 0.5157 0.8021 -0.0826 0.2388 -0.1363 107 HOH B O 6584 O O . HOH M . ? 0.3813 0.4216 1.0478 -0.2359 0.2284 -0.1225 108 HOH B O 6585 O O . HOH M . ? 0.5396 0.4170 0.7634 -0.0495 0.0622 -0.1854 109 HOH B O 6586 O O . HOH M . ? 0.5209 0.4756 0.7240 -0.0095 0.1421 0.0001 118 HOH B O 6587 O O . HOH M . ? 0.4296 0.4826 0.4854 0.0520 0.0691 0.0006 139 HOH B O 6588 O O . HOH M . ? 0.5533 0.5848 0.9131 -0.1447 0.0559 -0.3265 165 HOH B O 6589 O O . HOH M . ? 0.5303 0.5375 0.5067 0.0474 0.0084 0.0759 172 HOH B O 6590 O O . HOH M . ? 0.3166 0.4198 0.4375 -0.0090 0.0334 -0.0307 174 HOH B O 6591 O O . HOH M . ? 0.7053 0.8643 1.1922 -0.1984 0.0510 -0.3198 175 HOH B O 6592 O O . HOH M . ? 0.5028 0.5288 0.5072 0.0311 -0.0046 -0.1250 185 HOH B O 6593 O O . HOH M . ? 0.6075 0.5981 0.4975 0.1325 -0.0762 0.0096 186 HOH B O 6594 O O . HOH M . ? 0.4577 0.7122 0.6478 0.0413 -0.0216 0.0616 191 HOH B O 6595 O O . HOH M . ? 0.4700 0.5156 0.9174 -0.0627 0.2628 -0.1041 204 HOH B O 6596 O O . HOH M . ? 0.6082 0.4814 0.7669 -0.0546 0.1187 0.0745 213 HOH B O 6597 O O . HOH M . ? 0.4019 0.8472 0.7033 -0.0319 -0.0698 -0.0856 226 HOH B O 6598 O O . HOH M . ? 0.4447 0.4003 0.5448 0.0624 0.0403 -0.0756 229 HOH B O 6599 O O . HOH M . ? 0.7443 0.6153 1.0338 -0.1012 0.0912 -0.0847 237 HOH B O 6600 O O . HOH M . ? 0.5609 0.4111 0.6673 -0.0071 0.0642 0.0512 246 HOH B O 6601 O O . HOH M . ? 0.4493 0.5138 0.8392 -0.0570 0.2131 -0.0537 247 HOH B O 6602 O O . HOH M . ? 0.6920 0.5693 0.7552 0.0151 0.0413 0.0569 252 HOH B O 6603 O O . HOH M . ? 0.6326 0.4846 0.6887 -0.0459 0.0792 0.0431 258 HOH B O 6604 O O . HOH M . ? 0.5550 0.5789 0.6270 -0.0168 0.0294 -0.0372 267 HOH B O 6605 O O . HOH M . ? 0.6980 0.5135 1.1795 -0.1609 0.2001 -0.0826 269 HOH B O 6606 O O . HOH M . ? 0.6842 0.7070 0.8563 -0.0092 0.0888 -0.0467 271 HOH B O 6607 O O . HOH M . ? 0.5165 0.8377 0.9288 -0.1661 -0.0178 -0.3193 272 HOH B O 6608 O O . HOH M . ? 0.4142 0.7735 0.5065 0.0226 -0.0782 -0.0397 280 HOH B O 6609 O O . HOH M . ? 0.3624 0.5938 0.6341 0.0302 0.0094 0.0669 294 HOH B O 6610 O O . HOH M . ? 0.3811 0.5348 0.7927 -0.0763 0.1186 -0.0063 311 HOH B O 6611 O O . HOH M . ? 0.4191 0.5049 0.8119 -0.1383 0.0832 -0.0760 312 HOH B O 6612 O O . HOH M . ? 0.6042 0.9893 0.9213 -0.1438 -0.0466 -0.3812 325 HOH B O 6613 O O . HOH M . ? 0.2768 0.5070 0.6642 -0.0686 0.0363 -0.0297 333 HOH B O 6614 O O . HOH M . ? 0.7191 0.9481 0.7018 -0.0466 0.0764 -0.0879 334 HOH B O 6615 O O . HOH M . ? 0.5209 0.5818 1.1970 0.0636 0.2869 0.0837 341 HOH B O 6616 O O . HOH M . ? 0.6232 0.7764 0.7505 0.0611 0.0088 -0.0551 350 HOH B O 6617 O O . HOH M . ? 0.5548 0.7827 0.4492 0.1004 0.0338 0.0109 358 HOH B O 6618 O O . HOH M . ? 0.5403 0.6387 0.5629 0.0907 0.0774 0.1079 364 HOH B O 6619 O O . HOH M . ? 0.6701 0.5159 0.7671 0.0284 0.0445 0.0254 373 HOH B O 6620 O O . HOH M . ? 0.8318 0.5449 1.1119 -0.0004 0.2845 0.2436 392 HOH B O 6621 O O . HOH M . ? 0.3351 0.5523 0.4819 0.0523 -0.0884 -0.1001 408 HOH B O 6622 O O . HOH M . ? 0.5639 0.7779 0.7532 -0.0034 -0.0690 -0.1241 410 HOH B O 6623 O O . HOH N . ? 0.3432 0.3487 0.2867 -0.0023 -0.0097 0.0026 211 HOH C O 6624 O O . HOH N . ? 0.3322 0.4104 0.2879 0.0770 -0.0480 -0.0593 212 HOH C O 6625 O O . HOH N . ? 0.3427 0.4357 0.3628 0.0494 -0.0154 0.0024 213 HOH C O 6626 O O . HOH N . ? 0.3893 0.3368 0.3212 0.0290 -0.0208 -0.0193 214 HOH C O 6627 O O . HOH N . ? 0.5225 0.4457 0.5455 0.0416 -0.1006 -0.0184 215 HOH C O 6628 O O . HOH N . ? 0.7364 0.7288 0.6679 0.1022 -0.1017 -0.1739 216 HOH C O 6629 O O . HOH N . ? 0.5923 0.8338 0.6261 0.0402 0.0564 0.0899 217 HOH C O 6630 O O . HOH N . ? 0.4979 0.3750 0.3634 0.1274 -0.0004 0.0176 218 HOH C O 6631 O O . HOH N . ? 0.3815 0.2935 0.4100 -0.0040 -0.0819 -0.0002 219 HOH C O 6632 O O . HOH N . ? 0.5073 0.5832 0.5476 -0.0158 0.0246 0.0983 220 HOH C O 6633 O O . HOH N . ? 0.5106 0.5461 0.4823 0.1400 -0.0728 -0.0991 221 HOH C O 6634 O O . HOH N . ? 0.3426 0.4843 0.3586 0.0280 0.0126 0.0264 222 HOH C O 6635 O O . HOH N . ? 0.4415 0.3833 0.4199 0.0325 -0.0704 -0.0997 223 HOH C O 6636 O O . HOH N . ? 0.4704 0.4214 0.5752 -0.0371 -0.0776 -0.0204 224 HOH C O 6637 O O . HOH N . ? 0.4514 0.4165 0.3554 0.0392 -0.0095 -0.0174 225 HOH C O 6638 O O . HOH N . ? 0.4244 0.6526 0.5596 0.1326 -0.1665 -0.1224 226 HOH C O 6639 O O . HOH N . ? 0.5294 0.5404 0.5501 -0.0027 -0.0842 0.0987 227 HOH C O 6640 O O . HOH N . ? 0.4183 0.5066 0.3497 0.0424 0.0350 0.0472 228 HOH C O 6641 O O . HOH N . ? 0.3132 0.2390 0.2969 0.0369 -0.0945 -0.0504 229 HOH C O 6642 O O . HOH N . ? 0.3406 0.3797 0.3628 -0.0287 -0.0342 0.0979 230 HOH C O 6643 O O . HOH N . ? 0.3662 0.4076 0.4923 -0.0462 -0.0355 0.0345 231 HOH C O 6644 O O . HOH N . ? 0.4198 0.3525 0.5244 -0.0404 -0.0400 0.0944 232 HOH C O 6645 O O . HOH N . ? 0.4491 0.4501 0.3672 0.1467 -0.0791 -0.1200 233 HOH C O 6646 O O . HOH N . ? 0.6788 0.8821 0.5601 0.1084 0.0492 0.0470 234 HOH C O 6647 O O . HOH N . ? 0.3656 0.6108 0.3871 0.1431 -0.0017 -0.0410 235 HOH C O 6648 O O . HOH N . ? 0.9647 0.6972 0.2787 0.0731 -0.0611 0.1405 236 HOH C O 6649 O O . HOH N . ? 0.5303 0.4711 0.5269 0.1134 -0.1147 -0.0949 237 HOH C O 6650 O O . HOH N . ? 0.4431 0.3645 0.4657 0.0369 -0.1289 -0.0567 238 HOH C O 6651 O O . HOH N . ? 0.2174 0.5124 0.3508 0.0616 -0.0207 -0.0500 239 HOH C O 6652 O O . HOH N . ? 0.5319 0.6718 0.4147 0.0436 -0.0178 0.0041 240 HOH C O 6653 O O . HOH N . ? 0.5131 0.3641 0.5482 0.0323 -0.0793 -0.0413 241 HOH C O 6654 O O . HOH N . ? 0.4599 0.3487 0.4638 0.0125 -0.0390 0.0132 242 HOH C O 6655 O O . HOH N . ? 0.4470 0.4921 0.3931 0.0156 -0.0489 -0.0360 243 HOH C O 6656 O O . HOH N . ? 1.1300 0.9501 0.6791 -0.0141 0.0918 0.1256 244 HOH C O 6657 O O . HOH N . ? 0.4799 0.4513 0.5313 -0.0255 -0.0756 0.0882 245 HOH C O 6658 O O . HOH N . ? 0.4754 0.6588 0.4153 0.0761 0.0477 0.0413 246 HOH C O 6659 O O . HOH N . ? 0.5284 0.6553 0.4384 0.0297 0.0071 0.0167 247 HOH C O 6660 O O . HOH N . ? 0.5087 0.4283 0.4830 0.0120 -0.0181 0.0270 248 HOH C O 6661 O O . HOH N . ? 0.5972 0.7623 0.4795 0.1105 0.0345 0.0086 249 HOH C O 6662 O O . HOH N . ? 0.4198 0.6552 0.4891 0.0247 0.0469 0.0877 250 HOH C O 6663 O O . HOH N . ? 0.5993 0.4940 0.6620 -0.0067 -0.1083 0.0182 251 HOH C O 6664 O O . HOH N . ? 0.4373 0.5288 0.6288 -0.0628 -0.0276 0.0908 252 HOH C O 6665 O O . HOH N . ? 0.4637 0.5382 0.4707 -0.0234 -0.0152 0.0948 253 HOH C O 6666 O O . HOH N . ? 0.4227 0.3617 0.4804 -0.0061 -0.0910 -0.0041 254 HOH C O 6667 O O . HOH N . ? 0.5865 0.7334 0.4648 0.0986 -0.0071 -0.0788 255 HOH C O 6668 O O . HOH N . ? 0.7685 0.5722 0.8202 0.1338 -0.2415 -0.1603 256 HOH C O 6669 O O . HOH N . ? 0.5919 0.7502 0.5305 0.0573 0.0493 0.0687 257 HOH C O 6670 O O . HOH N . ? 0.9403 0.9398 0.5944 0.2326 -0.4834 -0.0275 258 HOH C O 6671 O O . HOH N . ? 0.4183 0.5741 0.5250 0.0450 -0.0706 -0.0165 259 HOH C O 6672 O O . HOH N . ? 0.4119 0.4623 0.5709 -0.0607 -0.0109 0.1561 260 HOH C O 6673 O O . HOH N . ? 0.5011 0.6017 0.4717 0.0796 -0.0603 -0.0712 261 HOH C O 6674 O O . HOH N . ? 0.4270 0.4950 0.4682 -0.0336 -0.0228 0.1052 264 HOH C O 6675 O O . HOH N . ? 0.5260 0.6372 0.3832 0.1280 0.0047 -0.0388 265 HOH C O 6676 O O . HOH N . ? 0.3944 0.6473 0.6213 0.0586 -0.1103 -0.1311 273 HOH C O 6677 O O . HOH N . ? 0.8142 0.8442 0.4936 0.0993 0.0980 -0.2186 279 HOH C O 6678 O O . HOH N . ? 1.0012 1.0041 0.6832 0.0308 0.1200 -0.0039 282 HOH C O 6679 O O . HOH N . ? 0.6137 0.3870 0.7717 0.0128 -0.1682 -0.0590 287 HOH C O 6680 O O . HOH N . ? 0.6340 0.4930 0.6896 0.0334 -0.1422 -0.0342 290 HOH C O 6681 O O . HOH N . ? 0.6537 0.6184 0.6007 0.1660 -0.1583 -0.2526 291 HOH C O 6682 O O . HOH N . ? 0.4412 0.6138 0.6913 -0.0752 -0.0047 0.1777 292 HOH C O 6683 O O . HOH N . ? 0.6520 0.5790 0.6328 0.0958 -0.0758 -0.1254 295 HOH C O 6684 O O . HOH N . ? 0.6203 0.4944 0.8494 -0.0018 -0.1043 0.0128 296 HOH C O 6685 O O . HOH N . ? 0.4796 0.4519 0.5534 -0.0290 -0.0664 0.0418 305 HOH C O 6686 O O . HOH N . ? 0.4948 0.4621 0.5198 0.0074 -0.0889 0.0527 310 HOH C O 6687 O O . HOH N . ? 0.6793 0.7663 0.8019 0.2548 -0.1425 -0.0966 314 HOH C O 6688 O O . HOH N . ? 0.5259 0.5653 0.5998 -0.0416 -0.0396 0.1004 315 HOH C O 6689 O O . HOH N . ? 0.8742 0.5395 0.5997 0.0491 -0.0792 -0.1923 317 HOH C O 6690 O O . HOH N . ? 0.4696 0.5472 0.4157 0.0293 0.0683 -0.0132 318 HOH C O 6691 O O . HOH N . ? 0.7601 0.7262 0.7239 0.1371 -0.0883 -0.1693 327 HOH C O 6692 O O . HOH N . ? 0.4351 0.5532 0.5116 0.0649 -0.0800 -0.0233 336 HOH C O 6693 O O . HOH N . ? 0.6036 0.3929 0.7290 0.0151 -0.1354 -0.0270 338 HOH C O 6694 O O . HOH N . ? 0.6514 0.5034 0.9462 0.0304 -0.1117 -0.0663 346 HOH C O 6695 O O . HOH N . ? 0.5567 0.4492 0.5904 0.0471 -0.1207 -0.0327 353 HOH C O 6696 O O . HOH N . ? 0.5823 0.7113 0.5796 0.0145 0.0438 0.1029 360 HOH C O 6697 O O . HOH N . ? 0.4895 0.8057 0.6088 0.1402 -0.0220 -0.0272 362 HOH C O 6698 O O . HOH N . ? 0.4503 0.6736 0.5164 0.1097 -0.0171 -0.0282 363 HOH C O 6699 O O . HOH N . ? 0.4960 0.5952 0.4690 0.0806 -0.1142 -0.1424 371 HOH C O 6700 O O . HOH N . ? 0.6083 0.4362 0.6899 0.0097 -0.0931 0.0043 386 HOH C O 6701 O O . HOH N . ? 0.5911 0.6464 0.8051 -0.0010 -0.1079 -0.1437 391 HOH C O 6702 O O . HOH N . ? 0.6001 0.5273 0.7342 -0.0451 -0.0501 0.1326 406 HOH C O 6703 O O . HOH N . ? 0.6462 0.5354 0.7066 0.0641 -0.1475 -0.0302 407 HOH C O 6704 O O . HOH O . ? 0.6081 0.5653 0.6045 -0.0483 -0.0262 0.0731 242 HOH D O 6705 O O . HOH O . ? 0.6468 0.4880 0.6182 -0.0316 0.0863 0.0518 243 HOH D O 6706 O O . HOH O . ? 0.3605 0.4009 0.4242 0.0215 0.0443 -0.0082 244 HOH D O 6707 O O . HOH O . ? 0.9571 0.5139 0.3954 0.0888 -0.1451 -0.0488 245 HOH D O 6708 O O . HOH O . ? 0.4890 0.4253 0.5517 -0.0028 0.0658 0.0519 246 HOH D O 6709 O O . HOH O . ? 0.3888 0.3556 0.5475 -0.0006 0.1157 0.0472 247 HOH D O 6710 O O . HOH O . ? 0.5652 0.4450 0.6973 0.0045 0.1009 0.1118 248 HOH D O 6711 O O . HOH O . ? 0.3021 0.2261 0.3069 0.0200 -0.0890 -0.0364 249 HOH D O 6712 O O . HOH O . ? 0.5667 0.4414 0.6334 0.0204 -0.0037 0.0750 250 HOH D O 6713 O O . HOH O . ? 0.6224 0.5078 0.6341 0.0216 -0.0079 0.0654 251 HOH D O 6714 O O . HOH O . ? 0.3937 0.3195 0.3709 0.0292 -0.0300 -0.0132 252 HOH D O 6715 O O . HOH O . ? 0.6426 0.3625 0.2901 0.0316 0.0257 0.0206 253 HOH D O 6716 O O . HOH O . ? 0.3761 0.4283 0.3267 0.1070 -0.0004 -0.0176 254 HOH D O 6717 O O . HOH O . ? 0.4114 0.3558 0.3562 -0.0227 -0.0528 0.1035 255 HOH D O 6718 O O . HOH O . ? 0.5303 0.4535 0.5102 0.0392 -0.0267 -0.0412 256 HOH D O 6719 O O . HOH O . ? 0.7126 0.5690 0.7976 -0.0420 -0.0564 0.0446 257 HOH D O 6720 O O . HOH O . ? 0.4171 0.7337 0.7048 -0.0696 -0.0693 -0.0394 258 HOH D O 6721 O O . HOH O . ? 0.3838 0.4797 0.2754 -0.0890 0.0273 0.1028 259 HOH D O 6722 O O . HOH O . ? 0.4024 0.3010 0.4601 -0.0328 -0.0475 0.0104 260 HOH D O 6723 O O . HOH O . ? 0.4822 0.3872 0.3156 0.0136 -0.0323 -0.0067 261 HOH D O 6724 O O . HOH O . ? 0.4209 0.3640 0.5858 -0.0165 -0.1208 -0.0498 262 HOH D O 6725 O O . HOH O . ? 0.5637 0.4536 0.4483 0.0104 -0.1494 -0.0374 263 HOH D O 6726 O O . HOH O . ? 0.4396 0.4057 0.5308 -0.0089 0.0639 0.0297 264 HOH D O 6727 O O . HOH O . ? 0.5015 0.4714 0.5639 0.0130 -0.0485 0.0042 265 HOH D O 6728 O O . HOH O . ? 0.4198 0.4355 0.3949 -0.0521 -0.0034 0.0629 266 HOH D O 6729 O O . HOH O . ? 0.5605 0.5093 0.6321 0.0243 -0.0692 0.0186 267 HOH D O 6730 O O . HOH O . ? 0.7390 0.6524 1.0738 -0.0083 0.3344 0.1327 268 HOH D O 6731 O O . HOH O . ? 0.4347 0.3664 0.3049 0.0034 0.0158 -0.0251 269 HOH D O 6732 O O . HOH O . ? 0.4653 0.4902 0.4634 0.1948 0.0073 -0.1609 270 HOH D O 6733 O O . HOH O . ? 0.3753 0.5074 0.5744 -0.0863 0.1261 0.0654 271 HOH D O 6734 O O . HOH O . ? 0.3960 0.4077 0.6012 -0.0408 0.0440 0.0065 272 HOH D O 6735 O O . HOH O . ? 0.3838 0.3330 0.3466 0.0411 -0.0238 -0.0042 273 HOH D O 6736 O O . HOH O . ? 0.3967 0.3822 0.3150 0.1067 -0.0049 -0.0269 274 HOH D O 6737 O O . HOH O . ? 0.7992 0.5207 0.8609 0.0162 -0.2966 -0.1409 275 HOH D O 6738 O O . HOH O . ? 0.3865 0.4012 0.3776 0.0050 -0.0601 -0.0151 276 HOH D O 6739 O O . HOH O . ? 0.8169 0.6370 0.7465 -0.0009 0.1924 0.0777 277 HOH D O 6740 O O . HOH O . ? 0.6033 0.3565 0.5963 0.0515 -0.0921 -0.1181 278 HOH D O 6741 O O . HOH O . ? 0.7065 0.3283 0.4972 0.0709 0.0688 0.0058 279 HOH D O 6742 O O . HOH O . ? 0.4461 0.4260 0.2983 0.1150 -0.0777 -0.0715 280 HOH D O 6743 O O . HOH O . ? 0.5257 0.3874 0.5513 0.0169 0.0127 -0.0216 281 HOH D O 6744 O O . HOH O . ? 0.4174 0.3818 0.3798 0.0590 0.0065 -0.0468 282 HOH D O 6745 O O . HOH O . ? 0.7475 0.5020 0.5078 0.0653 -0.0176 -0.1008 283 HOH D O 6746 O O . HOH O . ? 0.5347 0.5160 0.4105 0.1776 -0.1134 -0.1577 284 HOH D O 6747 O O . HOH O . ? 0.5564 0.5052 0.6562 -0.0774 -0.0387 -0.1074 285 HOH D O 6748 O O . HOH O . ? 0.7567 0.6016 0.5500 0.0375 0.0379 0.0494 286 HOH D O 6749 O O . HOH O . ? 0.6606 0.4373 0.5622 0.0452 -0.0794 -0.1110 287 HOH D O 6750 O O . HOH O . ? 0.4717 0.5777 0.6017 0.0831 -0.0311 -0.0434 288 HOH D O 6751 O O . HOH O . ? 0.8909 0.4785 0.3219 0.0984 0.1261 0.0123 289 HOH D O 6752 O O . HOH O . ? 0.4474 0.3151 0.4580 0.0527 0.0123 -0.0236 290 HOH D O 6753 O O . HOH O . ? 0.4278 0.5356 0.5509 0.1014 0.0647 -0.0978 291 HOH D O 6754 O O . HOH O . ? 0.4141 0.3563 0.3713 0.0491 -0.0149 -0.0490 292 HOH D O 6755 O O . HOH O . ? 0.6297 0.6244 0.8150 0.0256 -0.0765 0.0032 293 HOH D O 6756 O O . HOH O . ? 0.4931 0.4480 0.4747 0.0087 -0.0089 0.0786 294 HOH D O 6757 O O . HOH O . ? 0.3973 0.3866 0.7251 -0.0290 -0.0418 -0.0089 295 HOH D O 6758 O O . HOH O . ? 0.5450 0.4929 0.4484 0.0933 -0.0103 -0.0429 296 HOH D O 6759 O O . HOH O . ? 0.5188 0.4261 0.5976 -0.0403 -0.0061 -0.0588 297 HOH D O 6760 O O . HOH O . ? 0.5197 0.6623 0.5367 0.0109 0.1300 -0.0085 298 HOH D O 6761 O O . HOH O . ? 0.4224 0.3958 0.4045 0.0330 -0.0529 0.0170 299 HOH D O 6762 O O . HOH O . ? 0.5752 0.5894 1.0127 -0.0129 0.0917 0.0451 300 HOH D O 6763 O O . HOH O . ? 1.2386 0.6486 0.4411 0.1328 -0.0382 0.0016 301 HOH D O 6764 O O . HOH O . ? 0.8279 0.6967 0.7101 0.0269 0.0652 0.0661 302 HOH D O 6765 O O . HOH O . ? 0.4002 0.6735 0.5238 0.0518 0.1356 -0.1267 303 HOH D O 6766 O O . HOH O . ? 0.5856 0.3966 0.6074 0.0626 -0.0215 -0.0915 304 HOH D O 6767 O O . HOH O . ? 0.4554 0.3827 0.4325 -0.0003 -0.0102 -0.0711 305 HOH D O 6768 O O . HOH O . ? 0.5248 0.5769 0.4824 -0.0821 0.0118 0.0959 306 HOH D O 6769 O O . HOH O . ? 0.6229 0.4707 0.6072 0.0728 0.0506 -0.0763 307 HOH D O 6770 O O . HOH O . ? 0.5218 0.5049 0.7676 -0.0360 -0.1755 0.0338 308 HOH D O 6771 O O . HOH O . ? 0.4783 0.4069 0.7498 -0.0291 -0.1060 -0.0398 309 HOH D O 6772 O O . HOH O . ? 0.3835 0.3090 0.5741 -0.0181 -0.1452 -0.0578 310 HOH D O 6773 O O . HOH O . ? 0.5394 0.6052 0.3264 0.0365 0.0281 -0.0008 311 HOH D O 6774 O O . HOH O . ? 0.5665 0.3688 0.2365 0.0469 -0.0492 -0.1769 312 HOH D O 6775 O O . HOH O . ? 0.5040 0.6086 0.6320 -0.0645 -0.0406 -0.0195 313 HOH D O 6776 O O . HOH O . ? 0.4858 0.3604 0.5201 -0.0047 0.0041 -0.0556 314 HOH D O 6777 O O . HOH O . ? 0.4938 0.5167 0.5533 -0.0342 -0.0520 -0.0378 315 HOH D O 6778 O O . HOH O . ? 0.3957 0.2725 0.4662 0.0592 0.0143 -0.0648 316 HOH D O 6779 O O . HOH O . ? 0.5703 0.3357 0.4584 -0.0189 0.0604 0.0643 317 HOH D O 6780 O O . HOH O . ? 0.6611 0.3905 0.3473 0.0231 -0.0042 0.0218 318 HOH D O 6781 O O . HOH O . ? 0.6661 0.6061 0.6298 0.0138 -0.0865 0.0022 319 HOH D O 6782 O O . HOH O . ? 0.5306 0.5515 0.5243 -0.0309 -0.0650 -0.0618 320 HOH D O 6783 O O . HOH O . ? 0.3764 0.6283 0.5733 0.0880 0.1063 -0.1174 321 HOH D O 6784 O O . HOH O . ? 0.7964 0.6327 0.5681 0.0482 0.1103 0.0352 322 HOH D O 6785 O O . HOH O . ? 0.6890 0.5191 0.6505 -0.0192 0.1455 0.0718 323 HOH D O 6786 O O . HOH O . ? 0.4592 0.4774 0.5020 0.0404 -0.0785 0.0136 324 HOH D O 6787 O O . HOH O . ? 0.5116 0.4533 0.4343 0.0610 -0.0716 -0.0537 325 HOH D O 6788 O O . HOH O . ? 0.5782 0.7977 0.6016 -0.0505 0.1932 0.0609 326 HOH D O 6789 O O . HOH O . ? 0.4727 0.6499 0.3709 -0.0996 0.0698 0.0763 327 HOH D O 6790 O O . HOH O . ? 0.4755 0.9065 0.8670 0.0995 -0.1286 0.0064 328 HOH D O 6791 O O . HOH O . ? 0.5626 0.5022 0.8831 -0.0335 -0.0619 -0.0101 329 HOH D O 6792 O O . HOH O . ? 0.5878 0.5267 0.5806 0.0020 0.0626 0.0356 330 HOH D O 6793 O O . HOH O . ? 0.7239 0.6717 0.6258 0.2636 -0.2052 -0.2535 331 HOH D O 6794 O O . HOH O . ? 0.5307 0.4758 0.9199 -0.0363 -0.1119 -0.0288 332 HOH D O 6795 O O . HOH O . ? 0.6063 0.4533 0.6564 0.0007 0.0271 0.0414 333 HOH D O 6796 O O . HOH O . ? 0.3097 0.7624 0.6511 0.0065 0.0956 -0.0602 334 HOH D O 6797 O O . HOH O . ? 0.4775 0.4675 0.9180 -0.0359 -0.0158 0.0164 335 HOH D O 6798 O O . HOH O . ? 0.4823 0.4192 0.4625 0.0517 -0.1074 -0.0569 336 HOH D O 6799 O O . HOH O . ? 0.5119 0.4049 0.5110 0.0572 0.0163 -0.0537 337 HOH D O 6800 O O . HOH O . ? 0.5400 0.5470 0.7930 -0.0541 0.0175 0.0053 338 HOH D O 6801 O O . HOH O . ? 0.4485 0.4095 0.6033 -0.0156 0.0511 0.0386 339 HOH D O 6802 O O . HOH O . ? 0.8556 0.5780 0.5860 0.0254 0.1615 0.0760 340 HOH D O 6803 O O . HOH O . ? 0.4616 0.4098 0.3790 0.0438 -0.0358 -0.0302 341 HOH D O 6804 O O . HOH O . ? 0.6061 0.6070 0.5581 0.0600 0.0332 -0.0591 342 HOH D O 6805 O O . HOH O . ? 0.4980 0.5150 0.7220 -0.0095 0.1153 0.0164 343 HOH D O 6806 O O . HOH O . ? 0.5964 0.6450 0.9675 -0.1769 0.0484 0.0186 344 HOH D O 6807 O O . HOH O . ? 0.3856 0.5039 0.3677 -0.0871 0.0398 0.0718 345 HOH D O 6808 O O . HOH O . ? 0.6754 0.5406 0.8153 -0.0608 0.0213 -0.0065 346 HOH D O 6809 O O . HOH O . ? 0.8095 0.4852 0.5374 0.0580 -0.1718 -0.1316 347 HOH D O 6810 O O . HOH O . ? 0.6371 0.5512 1.0596 -0.0363 -0.0110 0.0444 348 HOH D O 6811 O O . HOH O . ? 0.9153 0.6354 0.8122 0.0434 -0.1585 -0.1353 349 HOH D O 6812 O O . HOH O . ? 0.4282 0.7156 0.7179 0.1017 -0.0231 -0.0276 350 HOH D O 6813 O O . HOH O . ? 0.5550 0.5299 0.4441 0.0601 -0.0211 -0.0348 351 HOH D O 6814 O O . HOH O . ? 0.5699 0.6803 0.5336 0.0412 0.0975 -0.1449 352 HOH D O 6815 O O . HOH O . ? 0.6111 0.4966 0.6243 -0.0346 0.0910 0.0405 353 HOH D O 6816 O O . HOH O . ? 0.6022 0.7069 0.7703 0.0108 -0.0624 -0.0106 354 HOH D O 6817 O O . HOH O . ? 0.4034 0.8735 1.0048 0.2221 -0.2249 -0.1810 355 HOH D O 6818 O O . HOH O . ? 0.6525 0.8078 0.7216 0.0502 0.1255 -0.0735 356 HOH D O 6819 O O . HOH O . ? 0.6211 0.5042 0.6324 0.0778 0.1292 -0.0494 357 HOH D O 6820 O O . HOH O . ? 0.7315 0.5631 0.6496 0.0423 -0.0266 -0.0881 358 HOH D O 6821 O O . HOH O . ? 0.8808 0.6015 0.5600 0.0935 0.2386 0.0087 359 HOH D O 6822 O O . HOH O . ? 0.5739 0.4873 0.5886 0.0483 -0.0386 -0.0016 360 HOH D O 6823 O O . HOH O . ? 0.4425 0.4285 0.7497 -0.0147 -0.0843 -0.0285 361 HOH D O 6824 O O . HOH O . ? 0.6244 0.5132 0.5457 0.0215 0.0050 0.0532 362 HOH D O 6825 O O . HOH O . ? 0.4861 0.4752 0.3755 -0.0369 -0.0482 0.1135 363 HOH D O 6826 O O . HOH O . ? 0.8312 0.4969 0.4257 0.0466 0.1001 0.0530 364 HOH D O 6827 O O . HOH O . ? 0.4291 0.4428 0.6854 0.0326 -0.0373 -0.0041 365 HOH D O 6828 O O . HOH O . ? 0.7432 0.5501 0.6293 -0.0471 -0.0190 0.0462 366 HOH D O 6829 O O . HOH O . ? 0.6320 0.4832 0.6324 0.0341 0.0172 0.1098 367 HOH D O 6830 O O . HOH O . ? 0.6720 0.3851 0.5130 0.0370 -0.2682 -0.1102 368 HOH D O 6831 O O . HOH O . ? 0.9578 0.6956 0.6861 0.0743 0.2619 0.0435 369 HOH D O 6832 O O . HOH O . ? 0.9595 0.6354 0.5311 0.0913 0.0529 -0.0699 370 HOH D O 6833 O O . HOH O . ? 0.5560 0.4699 0.5417 0.0049 -0.0657 0.0855 371 HOH D O 6834 O O . HOH O . ? 0.6795 0.8515 0.6602 0.1072 0.0467 -0.0207 372 HOH D O 6835 O O . HOH O . ? 0.7159 0.6071 0.5959 0.0252 -0.0424 0.0299 373 HOH D O 6836 O O . HOH O . ? 0.6245 0.4948 0.5973 0.0173 0.0264 0.1632 374 HOH D O 6837 O O . HOH O . ? 0.4380 0.5542 0.4124 0.0861 -0.0521 -0.0656 375 HOH D O 6838 O O . HOH O . ? 0.4305 0.4061 0.5396 -0.0218 -0.0934 0.0248 376 HOH D O 6839 O O . HOH O . ? 0.6948 0.5453 0.7373 -0.0121 0.0420 0.1100 377 HOH D O 6840 O O . HOH O . ? 0.6048 0.5921 0.6901 0.0001 -0.1087 -0.0154 378 HOH D O 6841 O O . HOH O . ? 0.8801 0.6633 0.5929 0.0628 0.1099 0.0712 379 HOH D O 6842 O O . HOH O . ? 0.5863 0.3603 0.4669 0.0524 0.0150 -0.0580 380 HOH D O 6843 O O . HOH O . ? 0.5300 0.4779 0.5476 0.0786 0.0301 -0.0737 381 HOH D O 6844 O O . HOH O . ? 0.5270 0.4222 0.5015 0.0674 -0.0013 0.0583 382 HOH D O 6845 O O . HOH O . ? 0.6006 0.4257 0.7335 0.0189 -0.0882 -0.0730 383 HOH D O 6846 O O . HOH O . ? 0.5656 0.5196 0.8848 -0.0317 0.0006 0.0273 384 HOH D O 6847 O O . HOH O . ? 0.5804 0.8052 0.7023 -0.0817 0.0514 0.0233 385 HOH D O 6848 O O . HOH O . ? 0.7373 0.6401 0.7063 0.0149 0.0957 0.0642 386 HOH D O 6849 O O . HOH O . ? 0.5539 0.6761 0.5653 0.1425 -0.0270 -0.0988 387 HOH D O 6850 O O . HOH O . ? 0.5089 0.4570 0.9592 -0.0419 -0.0760 -0.0039 388 HOH D O 6851 O O . HOH O . ? 0.6363 0.6092 0.5643 -0.0460 0.0901 0.2135 389 HOH D O 6852 O O . HOH O . ? 0.5551 0.4863 0.5013 -0.0322 0.0009 -0.0176 390 HOH D O 6853 O O . HOH O . ? 0.5307 0.5639 0.6278 -0.0225 -0.0541 0.0469 395 HOH D O 6854 O O . HOH O . ? 0.5512 0.4430 1.1201 -0.0467 -0.0227 0.0582 396 HOH D O 6855 O O . HOH O . ? 0.4855 0.3838 0.4401 -0.0300 0.0507 0.0141 398 HOH D O 6856 O O . HOH O . ? 0.6259 0.5622 0.7082 0.0086 0.1329 0.0621 399 HOH D O 6857 O O . HOH O . ? 0.6294 0.5891 0.6974 -0.0707 0.0965 0.1400 400 HOH D O 6858 O O . HOH O . ? 0.5123 0.3621 0.5386 0.0328 0.0135 -0.0420 402 HOH D O 6859 O O . HOH O . ? 0.6043 0.4267 0.6715 0.0044 0.0185 -0.0011 403 HOH D O 6860 O O . HOH O . ? 0.5828 0.4335 0.6648 -0.0284 0.0054 -0.0580 404 HOH D O 6861 O O . HOH O . ? 0.7134 0.5354 0.8174 -0.0270 0.0192 -0.0100 405 HOH D O # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.seq_id _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.ndb_seq_num _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.pdb_mon_id _pdbx_poly_seq_scheme.auth_mon_id _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.hetero A 1 1 SER 1 1 ? ? ? A . n A 1 2 GLU 2 2 ? ? ? A . n A 1 3 ALA 3 3 ? ? ? A . n A 1 4 GLN 4 4 ? ? ? A . n A 1 5 GLN 5 5 ? ? ? A . n A 1 6 LYS 6 6 6 LYS LYS A . n A 1 7 ASN 7 7 7 ASN ASN A . n A 1 8 TYR 8 8 8 TYR TYR A . n A 1 9 THR 9 9 9 THR THR A . n A 1 10 PHE 10 10 10 PHE PHE A . n A 1 11 ARG 11 11 11 ARG ARG A . n A 1 12 CYS 12 12 12 CYS CYS A . n A 1 13 LEU 13 13 13 LEU LEU A . n A 1 14 GLN 14 14 14 GLN GLN A . n A 1 15 MET 15 15 15 MET MET A . n A 1 16 SER 16 16 16 SER SER A . n A 1 17 SER 17 17 17 SER SER A . n A 1 18 PHE 18 18 18 PHE PHE A . n A 1 19 ALA 19 19 19 ALA ALA A . n A 1 20 ASN 20 20 20 ASN ASN A . n A 1 21 ARG 21 21 21 ARG ARG A . n A 1 22 SER 22 22 22 SER SER A . n A 1 23 TRP 23 23 23 TRP TRP A . n A 1 24 SER 24 24 24 SER SER A . n A 1 25 ARG 25 25 25 ARG ARG A . n A 1 26 THR 26 26 26 THR THR A . n A 1 27 ASP 27 27 27 ASP ASP A . n A 1 28 SER 28 28 28 SER SER A . n A 1 29 VAL 29 29 29 VAL VAL A . n A 1 30 VAL 30 30 30 VAL VAL A . n A 1 31 TRP 31 31 31 TRP TRP A . n A 1 32 LEU 32 32 32 LEU LEU A . n A 1 33 GLY 33 33 33 GLY GLY A . n A 1 34 ASP 34 34 34 ASP ASP A . n A 1 35 LEU 35 35 35 LEU LEU A . n A 1 36 GLN 36 36 36 GLN GLN A . n A 1 37 THR 37 37 37 THR THR A . n A 1 38 HIS 38 38 38 HIS HIS A . n A 1 39 ARG 39 39 39 ARG ARG A . n A 1 40 TRP 40 40 40 TRP TRP A . n A 1 41 SER 41 41 41 SER SER A . n A 1 42 ASN 42 42 42 ASN ASN A . n A 1 43 ASP 43 43 43 ASP ASP A . n A 1 44 SER 44 44 44 SER SER A . n A 1 45 ALA 45 45 45 ALA ALA A . n A 1 46 THR 46 46 46 THR THR A . n A 1 47 ILE 47 47 47 ILE ILE A . n A 1 48 SER 48 48 48 SER SER A . n A 1 49 PHE 49 49 49 PHE PHE A . n A 1 50 THR 50 50 50 THR THR A . n A 1 51 LYS 51 51 51 LYS LYS A . n A 1 52 PRO 52 52 52 PRO PRO A . n A 1 53 TRP 53 53 53 TRP TRP A . n A 1 54 SER 54 54 54 SER SER A . n A 1 55 GLN 55 55 55 GLN GLN A . n A 1 56 GLY 56 56 56 GLY GLY A . n A 1 57 LYS 57 57 57 LYS LYS A . n A 1 58 LEU 58 58 58 LEU LEU A . n A 1 59 SER 59 59 59 SER SER A . n A 1 60 ASN 60 60 60 ASN ASN A . n A 1 61 GLN 61 61 61 GLN GLN A . n A 1 62 GLN 62 62 62 GLN GLN A . n A 1 63 TRP 63 63 63 TRP TRP A . n A 1 64 GLU 64 64 64 GLU GLU A . n A 1 65 LYS 65 65 65 LYS LYS A . n A 1 66 LEU 66 66 66 LEU LEU A . n A 1 67 GLN 67 67 67 GLN GLN A . n A 1 68 HIS 68 68 68 HIS HIS A . n A 1 69 MET 69 69 69 MET MET A . n A 1 70 PHE 70 70 70 PHE PHE A . n A 1 71 GLN 71 71 71 GLN GLN A . n A 1 72 VAL 72 72 72 VAL VAL A . n A 1 73 TYR 73 73 73 TYR TYR A . n A 1 74 ARG 74 74 74 ARG ARG A . n A 1 75 VAL 75 75 75 VAL VAL A . n A 1 76 SER 76 76 76 SER SER A . n A 1 77 PHE 77 77 77 PHE PHE A . n A 1 78 THR 78 78 78 THR THR A . n A 1 79 ARG 79 79 79 ARG ARG A . n A 1 80 ASP 80 80 80 ASP ASP A . n A 1 81 ILE 81 81 81 ILE ILE A . n A 1 82 GLN 82 82 82 GLN GLN A . n A 1 83 GLU 83 83 83 GLU GLU A . n A 1 84 LEU 84 84 84 LEU LEU A . n A 1 85 VAL 85 85 85 VAL VAL A . n A 1 86 LYS 86 86 86 LYS LYS A . n A 1 87 MET 87 87 87 MET MET A . n A 1 88 MET 88 88 88 MET MET A . n A 1 89 SER 89 89 89 SER SER A . n A 1 90 PRO 90 90 90 PRO PRO A . n A 1 91 LYS 91 91 91 LYS LYS A . n A 1 92 GLU 92 92 92 GLU GLU A . n A 1 93 ASP 93 93 93 ASP ASP A . n A 1 94 TYR 94 94 94 TYR TYR A . n A 1 95 PRO 95 95 95 PRO PRO A . n A 1 96 ILE 96 96 96 ILE ILE A . n A 1 97 GLU 97 97 97 GLU GLU A . n A 1 98 ILE 98 98 98 ILE ILE A . n A 1 99 GLN 99 99 99 GLN GLN A . n A 1 100 LEU 100 100 100 LEU LEU A . n A 1 101 SER 101 101 101 SER SER A . n A 1 102 ALA 102 102 102 ALA ALA A . n A 1 103 GLY 103 103 103 GLY GLY A . n A 1 104 CYS 104 104 104 CYS CYS A . n A 1 105 GLU 105 105 105 GLU GLU A . n A 1 106 MET 106 106 106 MET MET A . n A 1 107 TYR 107 107 107 TYR TYR A . n A 1 108 PRO 108 108 108 PRO PRO A . n A 1 109 GLY 109 109 109 GLY GLY A . n A 1 110 ASN 110 110 110 ASN ASN A . n A 1 111 ALA 111 111 111 ALA ALA A . n A 1 112 SER 112 112 112 SER SER A . n A 1 113 GLU 113 113 113 GLU GLU A . n A 1 114 SER 114 114 114 SER SER A . n A 1 115 PHE 115 115 115 PHE PHE A . n A 1 116 LEU 116 116 116 LEU LEU A . n A 1 117 HIS 117 117 117 HIS HIS A . n A 1 118 VAL 118 118 118 VAL VAL A . n A 1 119 ALA 119 119 119 ALA ALA A . n A 1 120 PHE 120 120 120 PHE PHE A . n A 1 121 GLN 121 121 121 GLN GLN A . n A 1 122 GLY 122 122 122 GLY GLY A . n A 1 123 LYS 123 123 123 LYS LYS A . n A 1 124 TYR 124 124 124 TYR TYR A . n A 1 125 VAL 125 125 125 VAL VAL A . n A 1 126 VAL 126 126 126 VAL VAL A . n A 1 127 ARG 127 127 127 ARG ARG A . n A 1 128 PHE 128 128 128 PHE PHE A . n A 1 129 TRP 129 129 129 TRP TRP A . n A 1 130 GLY 130 130 130 GLY GLY A . n A 1 131 THR 131 131 131 THR THR A . n A 1 132 SER 132 132 132 SER SER A . n A 1 133 TRP 133 133 133 TRP TRP A . n A 1 134 GLN 134 134 134 GLN GLN A . n A 1 135 THR 135 135 135 THR THR A . n A 1 136 VAL 136 136 136 VAL VAL A . n A 1 137 PRO 137 137 137 PRO PRO A . n A 1 138 GLY 138 138 138 GLY GLY A . n A 1 139 ALA 139 139 139 ALA ALA A . n A 1 140 PRO 140 140 140 PRO PRO A . n A 1 141 SER 141 141 141 SER SER A . n A 1 142 TRP 142 142 142 TRP TRP A . n A 1 143 LEU 143 143 143 LEU LEU A . n A 1 144 ASP 144 144 144 ASP ASP A . n A 1 145 LEU 145 145 145 LEU LEU A . n A 1 146 PRO 146 146 146 PRO PRO A . n A 1 147 ILE 147 147 147 ILE ILE A . n A 1 148 LYS 148 148 148 LYS LYS A . n A 1 149 VAL 149 149 149 VAL VAL A . n A 1 150 LEU 150 150 150 LEU LEU A . n A 1 151 ASN 151 151 151 ASN ASN A . n A 1 152 ALA 152 152 152 ALA ALA A . n A 1 153 ASP 153 153 153 ASP ASP A . n A 1 154 GLN 154 154 154 GLN GLN A . n A 1 155 GLY 155 155 155 GLY GLY A . n A 1 156 THR 156 156 156 THR THR A . n A 1 157 SER 157 157 157 SER SER A . n A 1 158 ALA 158 158 158 ALA ALA A . n A 1 159 THR 159 159 159 THR THR A . n A 1 160 VAL 160 160 160 VAL VAL A . n A 1 161 GLN 161 161 161 GLN GLN A . n A 1 162 MET 162 162 162 MET MET A . n A 1 163 LEU 163 163 163 LEU LEU A . n A 1 164 LEU 164 164 164 LEU LEU A . n A 1 165 ASN 165 165 165 ASN ASN A . n A 1 166 ASP 166 166 166 ASP ASP A . n A 1 167 THR 167 167 167 THR THR A . n A 1 168 CYS 168 168 168 CYS CYS A . n A 1 169 PRO 169 169 169 PRO PRO A . n A 1 170 LEU 170 170 170 LEU LEU A . n A 1 171 PHE 171 171 171 PHE PHE A . n A 1 172 VAL 172 172 172 VAL VAL A . n A 1 173 ARG 173 173 173 ARG ARG A . n A 1 174 GLY 174 174 174 GLY GLY A . n A 1 175 LEU 175 175 175 LEU LEU A . n A 1 176 LEU 176 176 176 LEU LEU A . n A 1 177 GLU 177 177 177 GLU GLU A . n A 1 178 ALA 178 178 178 ALA ALA A . n A 1 179 GLY 179 179 179 GLY GLY A . n A 1 180 LYS 180 180 180 LYS LYS A . n A 1 181 SER 181 181 181 SER SER A . n A 1 182 ASP 182 182 182 ASP ASP A . n A 1 183 LEU 183 183 183 LEU LEU A . n A 1 184 GLU 184 184 184 GLU GLU A . n A 1 185 LYS 185 185 185 LYS LYS A . n A 1 186 GLN 186 186 186 GLN GLN A . n A 1 187 GLU 187 187 187 GLU GLU A . n A 1 188 LYS 188 188 188 LYS LYS A . n A 1 189 PRO 189 189 189 PRO PRO A . n A 1 190 VAL 190 190 190 VAL VAL A . n A 1 191 ALA 191 191 191 ALA ALA A . n A 1 192 TRP 192 192 192 TRP TRP A . n A 1 193 LEU 193 193 193 LEU LEU A . n A 1 194 SER 194 194 194 SER SER A . n A 1 195 SER 195 195 195 SER SER A . n A 1 196 VAL 196 196 196 VAL VAL A . n A 1 197 PRO 197 197 197 PRO PRO A . n A 1 198 SER 198 198 ? ? ? A . n A 1 199 SER 199 199 ? ? ? A . n A 1 200 ALA 200 200 ? ? ? A . n A 1 201 HIS 201 201 ? ? ? A . n A 1 202 GLY 202 202 ? ? ? A . n A 1 203 HIS 203 203 ? ? ? A . n A 1 204 ARG 204 204 204 ARG ARG A . n A 1 205 GLN 205 205 205 GLN GLN A . n A 1 206 LEU 206 206 206 LEU LEU A . n A 1 207 VAL 207 207 207 VAL VAL A . n A 1 208 CYS 208 208 208 CYS CYS A . n A 1 209 HIS 209 209 209 HIS HIS A . n A 1 210 VAL 210 210 210 VAL VAL A . n A 1 211 SER 211 211 211 SER SER A . n A 1 212 GLY 212 212 212 GLY GLY A . n A 1 213 PHE 213 213 213 PHE PHE A . n A 1 214 TYR 214 214 214 TYR TYR A . n A 1 215 PRO 215 215 215 PRO PRO A . n A 1 216 LYS 216 216 216 LYS LYS A . n A 1 217 PRO 217 217 217 PRO PRO A . n A 1 218 VAL 218 218 218 VAL VAL A . n A 1 219 TRP 219 219 219 TRP TRP A . n A 1 220 VAL 220 220 220 VAL VAL A . n A 1 221 MET 221 221 221 MET MET A . n A 1 222 TRP 222 222 222 TRP TRP A . n A 1 223 MET 223 223 223 MET MET A . n A 1 224 ARG 224 224 224 ARG ARG A . n A 1 225 GLY 225 225 225 GLY GLY A . n A 1 226 ASP 226 226 226 ASP ASP A . n A 1 227 GLN 227 227 227 GLN GLN A . n A 1 228 GLU 228 228 228 GLU GLU A . n A 1 229 GLN 229 229 229 GLN GLN A . n A 1 230 GLN 230 230 230 GLN GLN A . n A 1 231 GLY 231 231 231 GLY GLY A . n A 1 232 THR 232 232 232 THR THR A . n A 1 233 HIS 233 233 233 HIS HIS A . n A 1 234 ARG 234 234 234 ARG ARG A . n A 1 235 GLY 235 235 235 GLY GLY A . n A 1 236 ASP 236 236 236 ASP ASP A . n A 1 237 PHE 237 237 237 PHE PHE A . n A 1 238 LEU 238 238 238 LEU LEU A . n A 1 239 PRO 239 239 239 PRO PRO A . n A 1 240 ASN 240 240 240 ASN ASN A . n A 1 241 ALA 241 241 241 ALA ALA A . n A 1 242 ASP 242 242 242 ASP ASP A . n A 1 243 GLU 243 243 243 GLU GLU A . n A 1 244 THR 244 244 244 THR THR A . n A 1 245 TRP 245 245 245 TRP TRP A . n A 1 246 TYR 246 246 246 TYR TYR A . n A 1 247 LEU 247 247 247 LEU LEU A . n A 1 248 GLN 248 248 248 GLN GLN A . n A 1 249 ALA 249 249 249 ALA ALA A . n A 1 250 THR 250 250 250 THR THR A . n A 1 251 LEU 251 251 251 LEU LEU A . n A 1 252 ASP 252 252 252 ASP ASP A . n A 1 253 VAL 253 253 253 VAL VAL A . n A 1 254 GLU 254 254 254 GLU GLU A . n A 1 255 ALA 255 255 255 ALA ALA A . n A 1 256 GLY 256 256 256 GLY GLY A . n A 1 257 GLU 257 257 257 GLU GLU A . n A 1 258 GLU 258 258 258 GLU GLU A . n A 1 259 ALA 259 259 259 ALA ALA A . n A 1 260 GLY 260 260 260 GLY GLY A . n A 1 261 LEU 261 261 261 LEU LEU A . n A 1 262 ALA 262 262 262 ALA ALA A . n A 1 263 CYS 263 263 263 CYS CYS A . n A 1 264 ARG 264 264 264 ARG ARG A . n A 1 265 VAL 265 265 265 VAL VAL A . n A 1 266 LYS 266 266 266 LYS LYS A . n A 1 267 HIS 267 267 267 HIS HIS A . n A 1 268 SER 268 268 268 SER SER A . n A 1 269 SER 269 269 269 SER SER A . n A 1 270 LEU 270 270 270 LEU LEU A . n A 1 271 GLY 271 271 271 GLY GLY A . n A 1 272 GLY 272 272 272 GLY GLY A . n A 1 273 GLN 273 273 273 GLN GLN A . n A 1 274 ASP 274 274 274 ASP ASP A . n A 1 275 ILE 275 275 275 ILE ILE A . n A 1 276 ILE 276 276 276 ILE ILE A . n A 1 277 LEU 277 277 277 LEU LEU A . n A 1 278 TYR 278 278 278 TYR TYR A . n A 1 279 TRP 279 279 279 TRP TRP A . n A 1 280 HIS 280 280 ? ? ? A . n A 1 281 HIS 281 281 ? ? ? A . n A 1 282 HIS 282 282 ? ? ? A . n A 1 283 HIS 283 283 ? ? ? A . n A 1 284 HIS 284 284 ? ? ? A . n A 1 285 HIS 285 285 ? ? ? A . n B 2 1 ILE 1 1 ? ? ? B . n B 2 2 GLN 2 2 2 GLN GLN B . n B 2 3 LYS 3 3 3 LYS LYS B . n B 2 4 THR 4 4 4 THR THR B . n B 2 5 PRO 5 5 5 PRO PRO B . n B 2 6 GLN 6 6 6 GLN GLN B . n B 2 7 ILE 7 7 7 ILE ILE B . n B 2 8 GLN 8 8 8 GLN GLN B . n B 2 9 VAL 9 9 9 VAL VAL B . n B 2 10 TYR 10 10 10 TYR TYR B . n B 2 11 SER 11 11 11 SER SER B . n B 2 12 ARG 12 12 12 ARG ARG B . n B 2 13 HIS 13 13 13 HIS HIS B . n B 2 14 PRO 14 14 14 PRO PRO B . n B 2 15 PRO 15 15 15 PRO PRO B . n B 2 16 GLU 16 16 16 GLU GLU B . n B 2 17 ASN 17 17 17 ASN ASN B . n B 2 18 GLY 18 18 18 GLY GLY B . n B 2 19 LYS 19 19 19 LYS LYS B . n B 2 20 PRO 20 20 20 PRO PRO B . n B 2 21 ASN 21 21 21 ASN ASN B . n B 2 22 ILE 22 22 22 ILE ILE B . n B 2 23 LEU 23 23 23 LEU LEU B . n B 2 24 ASN 24 24 24 ASN ASN B . n B 2 25 CYS 25 25 25 CYS CYS B . n B 2 26 TYR 26 26 26 TYR TYR B . n B 2 27 VAL 27 27 27 VAL VAL B . n B 2 28 THR 28 28 28 THR THR B . n B 2 29 GLN 29 29 29 GLN GLN B . n B 2 30 PHE 30 30 30 PHE PHE B . n B 2 31 HIS 31 31 31 HIS HIS B . n B 2 32 PRO 32 32 32 PRO PRO B . n B 2 33 PRO 33 33 33 PRO PRO B . n B 2 34 HIS 34 34 34 HIS HIS B . n B 2 35 ILE 35 35 35 ILE ILE B . n B 2 36 GLU 36 36 36 GLU GLU B . n B 2 37 ILE 37 37 37 ILE ILE B . n B 2 38 GLN 38 38 38 GLN GLN B . n B 2 39 MET 39 39 39 MET MET B . n B 2 40 LEU 40 40 40 LEU LEU B . n B 2 41 LYS 41 41 41 LYS LYS B . n B 2 42 ASN 42 42 42 ASN ASN B . n B 2 43 GLY 43 43 43 GLY GLY B . n B 2 44 LYS 44 44 44 LYS LYS B . n B 2 45 LYS 45 45 45 LYS LYS B . n B 2 46 ILE 46 46 46 ILE ILE B . n B 2 47 PRO 47 47 47 PRO PRO B . n B 2 48 LYS 48 48 48 LYS LYS B . n B 2 49 VAL 49 49 49 VAL VAL B . n B 2 50 GLU 50 50 50 GLU GLU B . n B 2 51 MET 51 51 51 MET MET B . n B 2 52 SER 52 52 52 SER SER B . n B 2 53 ASP 53 53 53 ASP ASP B . n B 2 54 MET 54 54 54 MET MET B . n B 2 55 SER 55 55 55 SER SER B . n B 2 56 PHE 56 56 56 PHE PHE B . n B 2 57 SER 57 57 57 SER SER B . n B 2 58 LYS 58 58 58 LYS LYS B . n B 2 59 ASP 59 59 59 ASP ASP B . n B 2 60 TRP 60 60 60 TRP TRP B . n B 2 61 SER 61 61 61 SER SER B . n B 2 62 PHE 62 62 62 PHE PHE B . n B 2 63 TYR 63 63 63 TYR TYR B . n B 2 64 ILE 64 64 64 ILE ILE B . n B 2 65 LEU 65 65 65 LEU LEU B . n B 2 66 ALA 66 66 66 ALA ALA B . n B 2 67 HIS 67 67 67 HIS HIS B . n B 2 68 THR 68 68 68 THR THR B . n B 2 69 GLU 69 69 69 GLU GLU B . n B 2 70 PHE 70 70 70 PHE PHE B . n B 2 71 THR 71 71 71 THR THR B . n B 2 72 PRO 72 72 72 PRO PRO B . n B 2 73 THR 73 73 73 THR THR B . n B 2 74 GLU 74 74 74 GLU GLU B . n B 2 75 THR 75 75 75 THR THR B . n B 2 76 ASP 76 76 76 ASP ASP B . n B 2 77 THR 77 77 77 THR THR B . n B 2 78 TYR 78 78 78 TYR TYR B . n B 2 79 ALA 79 79 79 ALA ALA B . n B 2 80 CYS 80 80 80 CYS CYS B . n B 2 81 ARG 81 81 81 ARG ARG B . n B 2 82 VAL 82 82 82 VAL VAL B . n B 2 83 LYS 83 83 83 LYS LYS B . n B 2 84 HIS 84 84 84 HIS HIS B . n B 2 85 ALA 85 85 85 ALA ALA B . n B 2 86 SER 86 86 86 SER SER B . n B 2 87 MET 87 87 87 MET MET B . n B 2 88 ALA 88 88 88 ALA ALA B . n B 2 89 GLU 89 89 89 GLU GLU B . n B 2 90 PRO 90 90 90 PRO PRO B . n B 2 91 LYS 91 91 91 LYS LYS B . n B 2 92 THR 92 92 92 THR THR B . n B 2 93 VAL 93 93 93 VAL VAL B . n B 2 94 TYR 94 94 94 TYR TYR B . n B 2 95 TRP 95 95 95 TRP TRP B . n B 2 96 ASP 96 96 96 ASP ASP B . n B 2 97 ARG 97 97 97 ARG ARG B . n B 2 98 ASP 98 98 98 ASP ASP B . n B 2 99 MET 99 99 99 MET MET B . n C 3 1 MET 1 -1 ? ? ? C . n C 3 2 LYS 2 0 ? ? ? C . n C 3 3 THR 3 1 1 THR THR C . n C 3 4 GLN 4 2 2 GLN GLN C . n C 3 5 VAL 5 3 3 VAL VAL C . n C 3 6 GLU 6 4 4 GLU GLU C . n C 3 7 GLN 7 5 5 GLN GLN C . n C 3 8 SER 8 6 6 SER SER C . n C 3 9 PRO 9 7 7 PRO PRO C . n C 3 10 GLN 10 8 8 GLN GLN C . n C 3 11 SER 11 9 9 SER SER C . n C 3 12 LEU 12 10 10 LEU LEU C . n C 3 13 VAL 13 11 11 VAL VAL C . n C 3 14 VAL 14 12 12 VAL VAL C . n C 3 15 ARG 15 13 13 ARG ARG C . n C 3 16 GLN 16 14 14 GLN GLN C . n C 3 17 GLY 17 15 15 GLY GLY C . n C 3 18 GLU 18 16 16 GLU GLU C . n C 3 19 ASN 19 17 17 ASN ASN C . n C 3 20 CYS 20 18 18 CYS CYS C . n C 3 21 VAL 21 19 19 VAL VAL C . n C 3 22 LEU 22 20 20 LEU LEU C . n C 3 23 GLN 23 21 21 GLN GLN C . n C 3 24 CYS 24 22 22 CYS CYS C . n C 3 25 ASN 25 23 23 ASN ASN C . n C 3 26 TYR 26 24 24 TYR TYR C . n C 3 27 SER 27 25 25 SER SER C . n C 3 28 VAL 28 26 26 VAL VAL C . n C 3 29 THR 29 27 27 THR THR C . n C 3 30 PRO 30 28 28 PRO PRO C . n C 3 31 ASP 31 29 29 ASP ASP C . n C 3 32 ASN 32 30 30 ASN ASN C . n C 3 33 HIS 33 31 31 HIS HIS C . n C 3 34 LEU 34 32 32 LEU LEU C . n C 3 35 ARG 35 33 33 ARG ARG C . n C 3 36 TRP 36 34 34 TRP TRP C . n C 3 37 PHE 37 35 35 PHE PHE C . n C 3 38 LYS 38 36 36 LYS LYS C . n C 3 39 GLN 39 37 37 GLN GLN C . n C 3 40 ASP 40 38 38 ASP ASP C . n C 3 41 THR 41 39 39 THR THR C . n C 3 42 GLY 42 40 40 GLY GLY C . n C 3 43 LYS 43 41 41 LYS LYS C . n C 3 44 GLY 44 42 42 GLY GLY C . n C 3 45 LEU 45 43 43 LEU LEU C . n C 3 46 VAL 46 44 44 VAL VAL C . n C 3 47 SER 47 45 45 SER SER C . n C 3 48 LEU 48 46 46 LEU LEU C . n C 3 49 THR 49 47 47 THR THR C . n C 3 50 VAL 50 48 48 VAL VAL C . n C 3 51 LEU 51 49 49 LEU LEU C . n C 3 52 VAL 52 50 50 VAL VAL C . n C 3 53 ASP 53 51 51 ASP ASP C . n C 3 54 GLN 54 52 52 GLN GLN C . n C 3 55 LYS 55 53 53 LYS LYS C . n C 3 56 ASP 56 54 54 ASP ASP C . n C 3 57 LYS 57 55 55 LYS LYS C . n C 3 58 THR 58 56 56 THR THR C . n C 3 59 SER 59 57 57 SER SER C . n C 3 60 ASN 60 58 58 ASN ASN C . n C 3 61 GLY 61 59 59 GLY GLY C . n C 3 62 ARG 62 60 60 ARG ARG C . n C 3 63 TYR 63 62 62 TYR TYR C . n C 3 64 SER 64 63 63 SER SER C . n C 3 65 ALA 65 64 64 ALA ALA C . n C 3 66 THR 66 65 65 THR THR C . n C 3 67 LEU 67 66 66 LEU LEU C . n C 3 68 ASP 68 67 67 ASP ASP C . n C 3 69 LYS 69 68 68 LYS LYS C . n C 3 70 ASP 70 69 69 ASP ASP C . n C 3 71 ALA 71 70 70 ALA ALA C . n C 3 72 LYS 72 71 71 LYS LYS C . n C 3 73 HIS 73 72 72 HIS HIS C . n C 3 74 SER 74 73 73 SER SER C . n C 3 75 THR 75 74 74 THR THR C . n C 3 76 LEU 76 75 75 LEU LEU C . n C 3 77 HIS 77 76 76 HIS HIS C . n C 3 78 ILE 78 77 77 ILE ILE C . n C 3 79 THR 79 78 78 THR THR C . n C 3 80 ALA 80 79 79 ALA ALA C . n C 3 81 THR 81 80 80 THR THR C . n C 3 82 LEU 82 81 81 LEU LEU C . n C 3 83 LEU 83 82 82 LEU LEU C . n C 3 84 ASP 84 83 83 ASP ASP C . n C 3 85 ASP 85 84 84 ASP ASP C . n C 3 86 THR 86 85 85 THR THR C . n C 3 87 ALA 87 86 86 ALA ALA C . n C 3 88 THR 88 87 87 THR THR C . n C 3 89 TYR 89 88 88 TYR TYR C . n C 3 90 ILE 90 89 89 ILE ILE C . n C 3 91 CYS 91 90 90 CYS CYS C . n C 3 92 VAL 92 91 91 VAL VAL C . n C 3 93 VAL 93 92 92 VAL VAL C . n C 3 94 GLY 94 93 93 GLY GLY C . n C 3 95 ASP 95 94 94 ASP ASP C . n C 3 96 ARG 96 95 95 ARG ARG C . n C 3 97 GLY 97 96 96 GLY GLY C . n C 3 98 SER 98 97 97 SER SER C . n C 3 99 ALA 99 98 98 ALA ALA C . n C 3 100 LEU 100 99 99 LEU LEU C . n C 3 101 GLY 101 100 100 GLY GLY C . n C 3 102 ARG 102 103 103 ARG ARG C . n C 3 103 LEU 103 104 104 LEU LEU C . n C 3 104 HIS 104 105 105 HIS HIS C . n C 3 105 PHE 105 106 106 PHE PHE C . n C 3 106 GLY 106 107 107 GLY GLY C . n C 3 107 ALA 107 108 108 ALA ALA C . n C 3 108 GLY 108 109 109 GLY GLY C . n C 3 109 THR 109 110 110 THR THR C . n C 3 110 GLN 110 111 111 GLN GLN C . n C 3 111 LEU 111 112 112 LEU LEU C . n C 3 112 ILE 112 113 113 ILE ILE C . n C 3 113 VAL 113 114 114 VAL VAL C . n C 3 114 ILE 114 115 115 ILE ILE C . n C 3 115 PRO 115 116 116 PRO PRO C . n C 3 116 ASP 116 117 117 ASP ASP C . n C 3 117 ILE 117 118 118 ILE ILE C . n C 3 118 GLN 118 119 119 GLN GLN C . n C 3 119 ASN 119 120 120 ASN ASN C . n C 3 120 PRO 120 121 121 PRO PRO C . n C 3 121 ASP 121 122 122 ASP ASP C . n C 3 122 PRO 122 123 123 PRO PRO C . n C 3 123 ALA 123 124 124 ALA ALA C . n C 3 124 VAL 124 125 125 VAL VAL C . n C 3 125 TYR 125 126 126 TYR TYR C . n C 3 126 GLN 126 127 127 GLN GLN C . n C 3 127 LEU 127 128 128 LEU LEU C . n C 3 128 ARG 128 129 129 ARG ARG C . n C 3 129 ASP 129 130 130 ASP ASP C . n C 3 130 SER 130 131 131 SER SER C . n C 3 131 LYS 131 132 132 LYS LYS C . n C 3 132 SER 132 133 133 SER SER C . n C 3 133 SER 133 134 134 SER SER C . n C 3 134 ASP 134 135 135 ASP ASP C . n C 3 135 LYS 135 136 136 LYS LYS C . n C 3 136 SER 136 137 137 SER SER C . n C 3 137 VAL 137 138 138 VAL VAL C . n C 3 138 CYS 138 139 139 CYS CYS C . n C 3 139 LEU 139 140 140 LEU LEU C . n C 3 140 PHE 140 141 141 PHE PHE C . n C 3 141 THR 141 142 142 THR THR C . n C 3 142 ASP 142 143 143 ASP ASP C . n C 3 143 PHE 143 144 144 PHE PHE C . n C 3 144 ASP 144 145 145 ASP ASP C . n C 3 145 SER 145 146 146 SER SER C . n C 3 146 GLN 146 147 147 GLN GLN C . n C 3 147 THR 147 148 148 THR THR C . n C 3 148 ASN 148 149 149 ASN ASN C . n C 3 149 VAL 149 150 150 VAL VAL C . n C 3 150 SER 150 151 151 SER SER C . n C 3 151 GLN 151 152 152 GLN GLN C . n C 3 152 SER 152 153 153 SER SER C . n C 3 153 LYS 153 154 154 LYS LYS C . n C 3 154 ASP 154 155 155 ASP ASP C . n C 3 155 SER 155 156 156 SER SER C . n C 3 156 ASP 156 157 157 ASP ASP C . n C 3 157 VAL 157 158 158 VAL VAL C . n C 3 158 TYR 158 159 159 TYR TYR C . n C 3 159 ILE 159 160 160 ILE ILE C . n C 3 160 THR 160 161 161 THR THR C . n C 3 161 ASP 161 162 162 ASP ASP C . n C 3 162 LYS 162 163 163 LYS LYS C . n C 3 163 CYS 163 164 164 CYS CYS C . n C 3 164 VAL 164 165 165 VAL VAL C . n C 3 165 LEU 165 166 166 LEU LEU C . n C 3 166 ASP 166 167 167 ASP ASP C . n C 3 167 MET 167 168 168 MET MET C . n C 3 168 ARG 168 169 169 ARG ARG C . n C 3 169 SER 169 170 170 SER SER C . n C 3 170 MET 170 171 171 MET MET C . n C 3 171 ASP 171 172 172 ASP ASP C . n C 3 172 PHE 172 173 173 PHE PHE C . n C 3 173 LYS 173 174 174 LYS LYS C . n C 3 174 SER 174 175 175 SER SER C . n C 3 175 ASN 175 176 176 ASN ASN C . n C 3 176 SER 176 177 177 SER SER C . n C 3 177 ALA 177 178 178 ALA ALA C . n C 3 178 VAL 178 179 179 VAL VAL C . n C 3 179 ALA 179 180 180 ALA ALA C . n C 3 180 TRP 180 181 181 TRP TRP C . n C 3 181 SER 181 182 182 SER SER C . n C 3 182 ASN 182 183 183 ASN ASN C . n C 3 183 LYS 183 184 184 LYS LYS C . n C 3 184 SER 184 185 ? ? ? C . n C 3 185 ASP 185 186 186 ASP ASP C . n C 3 186 PHE 186 187 187 PHE PHE C . n C 3 187 ALA 187 188 188 ALA ALA C . n C 3 188 CYS 188 189 189 CYS CYS C . n C 3 189 ALA 189 190 190 ALA ALA C . n C 3 190 ASN 190 191 191 ASN ASN C . n C 3 191 ALA 191 192 192 ALA ALA C . n C 3 192 PHE 192 193 193 PHE PHE C . n C 3 193 ASN 193 194 194 ASN ASN C . n C 3 194 ASN 194 195 195 ASN ASN C . n C 3 195 SER 195 196 196 SER SER C . n C 3 196 ILE 196 197 197 ILE ILE C . n C 3 197 ILE 197 198 198 ILE ILE C . n C 3 198 PRO 198 199 199 PRO PRO C . n C 3 199 GLU 199 200 200 GLU GLU C . n C 3 200 ASP 200 201 201 ASP ASP C . n C 3 201 THR 201 202 202 THR THR C . n C 3 202 PHE 202 203 203 PHE PHE C . n C 3 203 PHE 203 204 204 PHE PHE C . n C 3 204 PRO 204 205 205 PRO PRO C . n C 3 205 SER 205 206 206 SER SER C . n C 3 206 PRO 206 207 ? ? ? C . n C 3 207 GLU 207 208 ? ? ? C . n C 3 208 SER 208 209 ? ? ? C . n C 3 209 SER 209 210 ? ? ? C . n D 4 1 MET 1 0 ? ? ? D . n D 4 2 GLU 2 1 ? ? ? D . n D 4 3 ALA 3 2 2 ALA ALA D . n D 4 4 ALA 4 3 3 ALA ALA D . n D 4 5 VAL 5 4 4 VAL VAL D . n D 4 6 THR 6 5 5 THR THR D . n D 4 7 GLN 7 6 6 GLN GLN D . n D 4 8 SER 8 7 7 SER SER D . n D 4 9 PRO 9 8 8 PRO PRO D . n D 4 10 ARG 10 9 9 ARG ARG D . n D 4 11 ASN 11 10 10 ASN ASN D . n D 4 12 LYS 12 11 11 LYS LYS D . n D 4 13 VAL 13 12 12 VAL VAL D . n D 4 14 ALA 14 13 13 ALA ALA D . n D 4 15 VAL 15 14 14 VAL VAL D . n D 4 16 THR 16 15 15 THR THR D . n D 4 17 GLY 17 16 16 GLY GLY D . n D 4 18 GLY 18 17 17 GLY GLY D . n D 4 19 LYS 19 18 18 LYS LYS D . n D 4 20 VAL 20 19 19 VAL VAL D . n D 4 21 THR 21 20 20 THR THR D . n D 4 22 LEU 22 21 21 LEU LEU D . n D 4 23 SER 23 22 22 SER SER D . n D 4 24 CYS 24 23 23 CYS CYS D . n D 4 25 ASN 25 24 24 ASN ASN D . n D 4 26 GLN 26 25 25 GLN GLN D . n D 4 27 THR 27 26 26 THR THR D . n D 4 28 ASN 28 27 27 ASN ASN D . n D 4 29 ASN 29 28 28 ASN ASN D . n D 4 30 HIS 30 29 29 HIS HIS D . n D 4 31 ASN 31 30 30 ASN ASN D . n D 4 32 ASN 32 31 31 ASN ASN D . n D 4 33 MET 33 32 32 MET MET D . n D 4 34 TYR 34 33 33 TYR TYR D . n D 4 35 TRP 35 34 34 TRP TRP D . n D 4 36 TYR 36 35 35 TYR TYR D . n D 4 37 ARG 37 36 36 ARG ARG D . n D 4 38 GLN 38 37 37 GLN GLN D . n D 4 39 ASP 39 38 38 ASP ASP D . n D 4 40 THR 40 39 39 THR THR D . n D 4 41 GLY 41 40 40 GLY GLY D . n D 4 42 HIS 42 41 41 HIS HIS D . n D 4 43 GLY 43 42 42 GLY GLY D . n D 4 44 LEU 44 43 43 LEU LEU D . n D 4 45 ARG 45 44 44 ARG ARG D . n D 4 46 LEU 46 45 45 LEU LEU D . n D 4 47 ILE 47 46 46 ILE ILE D . n D 4 48 HIS 48 47 47 HIS HIS D . n D 4 49 TYR 49 48 48 TYR TYR D . n D 4 50 SER 50 49 49 SER SER D . n D 4 51 TYR 51 50 50 TYR TYR D . n D 4 52 GLY 52 51 51 GLY GLY D . n D 4 53 ALA 53 52 52 ALA ALA D . n D 4 54 GLY 54 53 53 GLY GLY D . n D 4 55 SER 55 54 54 SER SER D . n D 4 56 THR 56 55 55 THR THR D . n D 4 57 GLU 57 56 56 GLU GLU D . n D 4 58 LYS 58 57 57 LYS LYS D . n D 4 59 GLY 59 58 58 GLY GLY D . n D 4 60 ASP 60 59 59 ASP ASP D . n D 4 61 ILE 61 60 60 ILE ILE D . n D 4 62 PRO 62 61 61 PRO PRO D . n D 4 63 ASP 63 62 62 ASP ASP D . n D 4 64 GLY 64 63 63 GLY GLY D . n D 4 65 TYR 65 64 64 TYR TYR D . n D 4 66 LYS 66 65 65 LYS LYS D . n D 4 67 ALA 67 66 66 ALA ALA D . n D 4 68 SER 68 67 67 SER SER D . n D 4 69 ARG 69 68 68 ARG ARG D . n D 4 70 PRO 70 69 69 PRO PRO D . n D 4 71 SER 71 70 70 SER SER D . n D 4 72 GLN 72 71 71 GLN GLN D . n D 4 73 GLU 73 72 72 GLU GLU D . n D 4 74 ASN 74 73 73 ASN ASN D . n D 4 75 PHE 75 74 74 PHE PHE D . n D 4 76 SER 76 75 75 SER SER D . n D 4 77 LEU 77 76 76 LEU LEU D . n D 4 78 ILE 78 77 77 ILE ILE D . n D 4 79 LEU 79 78 78 LEU LEU D . n D 4 80 GLU 80 79 79 GLU GLU D . n D 4 81 LEU 81 80 80 LEU LEU D . n D 4 82 ALA 82 81 81 ALA ALA D . n D 4 83 THR 83 82 82 THR THR D . n D 4 84 PRO 84 83 83 PRO PRO D . n D 4 85 SER 85 84 84 SER SER D . n D 4 86 GLN 86 85 85 GLN GLN D . n D 4 87 THR 87 86 86 THR THR D . n D 4 88 SER 88 87 87 SER SER D . n D 4 89 VAL 89 88 88 VAL VAL D . n D 4 90 TYR 90 89 89 TYR TYR D . n D 4 91 PHE 91 90 90 PHE PHE D . n D 4 92 CYS 92 91 91 CYS CYS D . n D 4 93 ALA 93 92 92 ALA ALA D . n D 4 94 SER 94 93 93 SER SER D . n D 4 95 GLY 95 94 94 GLY GLY D . n D 4 96 ASP 96 95 95 ASP ASP D . n D 4 97 GLU 97 96 96 GLU GLU D . n D 4 98 GLY 98 97 97 GLY GLY D . n D 4 99 TYR 99 98 98 TYR TYR D . n D 4 100 THR 100 99 99 THR THR D . n D 4 101 GLN 101 100 100 GLN GLN D . n D 4 102 TYR 102 101 101 TYR TYR D . n D 4 103 PHE 103 102 102 PHE PHE D . n D 4 104 GLY 104 103 103 GLY GLY D . n D 4 105 PRO 105 104 104 PRO PRO D . n D 4 106 GLY 106 105 105 GLY GLY D . n D 4 107 THR 107 106 106 THR THR D . n D 4 108 ARG 108 107 107 ARG ARG D . n D 4 109 LEU 109 108 108 LEU LEU D . n D 4 110 LEU 110 109 109 LEU LEU D . n D 4 111 VAL 111 110 110 VAL VAL D . n D 4 112 LEU 112 111 111 LEU LEU D . n D 4 113 GLU 113 112 112 GLU GLU D . n D 4 114 ASP 114 113 113 ASP ASP D . n D 4 115 LEU 115 114 114 LEU LEU D . n D 4 116 ARG 116 115 115 ARG ARG D . n D 4 117 ASN 117 116 116 ASN ASN D . n D 4 118 VAL 118 117 117 VAL VAL D . n D 4 119 THR 119 118 118 THR THR D . n D 4 120 PRO 120 119 119 PRO PRO D . n D 4 121 PRO 121 120 120 PRO PRO D . n D 4 122 LYS 122 121 121 LYS LYS D . n D 4 123 VAL 123 122 122 VAL VAL D . n D 4 124 SER 124 123 123 SER SER D . n D 4 125 LEU 125 124 124 LEU LEU D . n D 4 126 PHE 126 125 125 PHE PHE D . n D 4 127 GLU 127 126 126 GLU GLU D . n D 4 128 PRO 128 127 127 PRO PRO D . n D 4 129 SER 129 128 128 SER SER D . n D 4 130 LYS 130 129 129 LYS LYS D . n D 4 131 ALA 131 130 130 ALA ALA D . n D 4 132 GLU 132 131 131 GLU GLU D . n D 4 133 ILE 133 132 132 ILE ILE D . n D 4 134 SER 134 133 133 SER SER D . n D 4 135 HIS 135 134 134 HIS HIS D . n D 4 136 THR 136 135 135 THR THR D . n D 4 137 GLN 137 136 136 GLN GLN D . n D 4 138 LYS 138 137 137 LYS LYS D . n D 4 139 ALA 139 138 138 ALA ALA D . n D 4 140 THR 140 139 139 THR THR D . n D 4 141 LEU 141 140 140 LEU LEU D . n D 4 142 VAL 142 141 141 VAL VAL D . n D 4 143 CYS 143 142 142 CYS CYS D . n D 4 144 LEU 144 143 143 LEU LEU D . n D 4 145 ALA 145 144 144 ALA ALA D . n D 4 146 THR 146 145 145 THR THR D . n D 4 147 GLY 147 146 146 GLY GLY D . n D 4 148 PHE 148 147 147 PHE PHE D . n D 4 149 TYR 149 148 148 TYR TYR D . n D 4 150 PRO 150 149 149 PRO PRO D . n D 4 151 ASP 151 150 150 ASP ASP D . n D 4 152 HIS 152 151 151 HIS HIS D . n D 4 153 VAL 153 152 152 VAL VAL D . n D 4 154 GLU 154 153 153 GLU GLU D . n D 4 155 LEU 155 154 154 LEU LEU D . n D 4 156 SER 156 155 155 SER SER D . n D 4 157 TRP 157 156 156 TRP TRP D . n D 4 158 TRP 158 157 157 TRP TRP D . n D 4 159 VAL 159 158 158 VAL VAL D . n D 4 160 ASN 160 159 159 ASN ASN D . n D 4 161 GLY 161 160 160 GLY GLY D . n D 4 162 LYS 162 161 161 LYS LYS D . n D 4 163 GLU 163 162 162 GLU GLU D . n D 4 164 VAL 164 163 163 VAL VAL D . n D 4 165 HIS 165 164 164 HIS HIS D . n D 4 166 SER 166 165 165 SER SER D . n D 4 167 GLY 167 166 166 GLY GLY D . n D 4 168 VAL 168 167 167 VAL VAL D . n D 4 169 CYS 169 168 168 CYS CYS D . n D 4 170 THR 170 169 169 THR THR D . n D 4 171 ASP 171 170 170 ASP ASP D . n D 4 172 PRO 172 171 171 PRO PRO D . n D 4 173 GLN 173 172 172 GLN GLN D . n D 4 174 PRO 174 173 173 PRO PRO D . n D 4 175 LEU 175 174 174 LEU LEU D . n D 4 176 LYS 176 175 175 LYS LYS D . n D 4 177 GLU 177 176 176 GLU GLU D . n D 4 178 GLN 178 177 177 GLN GLN D . n D 4 179 PRO 179 178 178 PRO PRO D . n D 4 180 ALA 180 179 179 ALA ALA D . n D 4 181 LEU 181 180 180 LEU LEU D . n D 4 182 ASN 182 181 181 ASN ASN D . n D 4 183 ASP 183 182 182 ASP ASP D . n D 4 184 SER 184 183 183 SER SER D . n D 4 185 ARG 185 184 184 ARG ARG D . n D 4 186 TYR 186 185 185 TYR TYR D . n D 4 187 SER 187 186 186 SER SER D . n D 4 188 LEU 188 187 187 LEU LEU D . n D 4 189 SER 189 188 188 SER SER D . n D 4 190 SER 190 189 189 SER SER D . n D 4 191 ARG 191 190 190 ARG ARG D . n D 4 192 LEU 192 191 191 LEU LEU D . n D 4 193 ARG 193 192 192 ARG ARG D . n D 4 194 VAL 194 193 193 VAL VAL D . n D 4 195 SER 195 194 194 SER SER D . n D 4 196 ALA 196 195 195 ALA ALA D . n D 4 197 THR 197 196 196 THR THR D . n D 4 198 PHE 198 197 197 PHE PHE D . n D 4 199 TRP 199 198 198 TRP TRP D . n D 4 200 GLN 200 199 199 GLN GLN D . n D 4 201 ASN 201 200 200 ASN ASN D . n D 4 202 PRO 202 201 201 PRO PRO D . n D 4 203 ARG 203 202 202 ARG ARG D . n D 4 204 ASN 204 203 203 ASN ASN D . n D 4 205 HIS 205 204 204 HIS HIS D . n D 4 206 PHE 206 205 205 PHE PHE D . n D 4 207 ARG 207 206 206 ARG ARG D . n D 4 208 CYS 208 207 207 CYS CYS D . n D 4 209 GLN 209 208 208 GLN GLN D . n D 4 210 VAL 210 209 209 VAL VAL D . n D 4 211 GLN 211 210 210 GLN GLN D . n D 4 212 PHE 212 211 211 PHE PHE D . n D 4 213 TYR 213 212 212 TYR TYR D . n D 4 214 GLY 214 213 213 GLY GLY D . n D 4 215 LEU 215 214 214 LEU LEU D . n D 4 216 SER 216 215 215 SER SER D . n D 4 217 GLU 217 216 216 GLU GLU D . n D 4 218 ASN 218 217 217 ASN ASN D . n D 4 219 ASP 219 218 218 ASP ASP D . n D 4 220 GLU 220 219 219 GLU GLU D . n D 4 221 TRP 221 220 220 TRP TRP D . n D 4 222 THR 222 221 221 THR THR D . n D 4 223 GLN 223 222 222 GLN GLN D . n D 4 224 ASP 224 223 223 ASP ASP D . n D 4 225 ARG 225 224 224 ARG ARG D . n D 4 226 ALA 226 225 225 ALA ALA D . n D 4 227 LYS 227 226 226 LYS LYS D . n D 4 228 PRO 228 227 227 PRO PRO D . n D 4 229 VAL 229 228 228 VAL VAL D . n D 4 230 THR 230 229 229 THR THR D . n D 4 231 GLN 231 230 230 GLN GLN D . n D 4 232 ILE 232 231 231 ILE ILE D . n D 4 233 VAL 233 232 232 VAL VAL D . n D 4 234 SER 234 233 233 SER SER D . n D 4 235 ALA 235 234 234 ALA ALA D . n D 4 236 GLU 236 235 235 GLU GLU D . n D 4 237 ALA 237 236 236 ALA ALA D . n D 4 238 TRP 238 237 237 TRP TRP D . n D 4 239 GLY 239 238 238 GLY GLY D . n D 4 240 ARG 240 239 239 ARG ARG D . n D 4 241 ALA 241 240 240 ALA ALA D . 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 A ASN 165 A ASN 165 ? ASN 'GLYCOSYLATION SITE' 2 A ASN 42 A ASN 42 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 20 A ASN 20 ? 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 tetrameric _pdbx_struct_assembly.oligomeric_count 4 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O # 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)' 9980 ? 1 MORE -24 ? 1 'SSA (A^2)' 36280 ? # _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 2011-06-29 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 33.6706 21.0263 -17.5611 0.0194 0.0352 0.0439 -0.0043 -0.0209 0.0145 1.6055 2.2205 3.0715 -1.0980 -0.7119 1.2206 0.0030 0.0018 -0.0048 0.0097 -0.0901 0.0031 0.0079 0.1349 -0.0571 'X-RAY DIFFRACTION' 2 ? refined 63.9094 -0.6444 -16.8632 0.1445 0.2213 0.4712 0.0380 0.0246 0.1278 5.4273 4.1983 2.4954 0.6133 0.5256 -0.0010 -0.0430 -0.0229 0.0658 -0.7551 -0.7681 -0.7838 0.3621 0.1027 0.2914 'X-RAY DIFFRACTION' 3 ? refined 62.5178 20.2849 -20.3927 0.1163 0.1258 0.2279 -0.0384 0.0056 -0.0035 7.9417 2.1414 2.6798 -0.9387 -3.2353 0.7353 -0.0528 0.1040 -0.0512 -0.3573 0.2923 -0.4746 -0.0770 -0.2464 0.3147 'X-RAY DIFFRACTION' 4 ? refined 6.5219 39.3443 -26.0206 0.0673 0.0381 0.0127 -0.0013 -0.0002 -0.0148 4.7553 1.6336 2.0372 -1.6830 2.2405 -0.7385 -0.0567 0.0365 0.0202 0.0420 -0.0514 0.0783 0.0096 0.0087 -0.0758 'X-RAY DIFFRACTION' 5 ? refined -16.3857 67.4078 -28.6145 0.2865 0.3039 0.0797 0.1239 -0.0930 -0.0373 5.1924 6.9770 3.6436 0.7991 0.6873 0.6971 -0.0236 -0.1250 0.1486 0.5916 0.1266 0.4121 -0.8562 -0.4742 -0.2462 'X-RAY DIFFRACTION' 6 ? refined 18.3796 53.3017 -12.1200 0.1115 0.0695 0.0551 -0.0102 -0.0160 -0.0422 1.9977 6.8759 0.8718 -1.6021 0.3354 -0.4976 -0.1103 0.0989 0.0114 -0.0751 0.2192 -0.0723 0.4511 -0.0633 -0.0791 'X-RAY DIFFRACTION' 7 ? refined -6.4683 70.1517 -14.4298 0.0966 0.0432 0.0309 0.0542 -0.0019 -0.0029 4.8803 2.7450 2.3109 0.7723 0.2322 0.1222 0.0585 -0.0244 -0.0342 0.2081 0.2378 0.0080 -0.1310 -0.1390 -0.0722 # 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 6 A 180 ? . . . . ? 'X-RAY DIFFRACTION' 2 1 A 280 A 280 ? . . . . ? 'X-RAY DIFFRACTION' 3 1 A 1 A 5 ? . . . . ? 'X-RAY DIFFRACTION' 4 2 A 181 A 279 ? . . . . ? 'X-RAY DIFFRACTION' 5 3 B 2 B 99 ? . . . . ? 'X-RAY DIFFRACTION' 6 4 C 1 C 112 ? . . . . ? 'X-RAY DIFFRACTION' 7 5 C 113 C 205 ? . . . . ? 'X-RAY DIFFRACTION' 8 6 D 2 D 112 ? . . . . ? 'X-RAY DIFFRACTION' 9 7 D 113 D 240 ? . . . . ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal HKL-2000 'data collection' . ? 1 MOLREP phasing . ? 2 REFMAC refinement 5.5.0102 ? 3 HKL-2000 'data reduction' . ? 4 HKL-2000 'data scaling' . ? 5 # _pdbx_entry_details.entry_id 3QUY _pdbx_entry_details.nonpolymer_details ? _pdbx_entry_details.sequence_details 'D219H CONFLICT IN UNP ENTRY P11609' _pdbx_entry_details.compound_details ? _pdbx_entry_details.source_details ? # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ASN A 20 ? ? -163.84 -168.88 2 1 ASP A 166 ? ? -123.34 -59.00 3 1 TRP B 60 ? ? 78.35 -2.16 4 1 LYS C 41 ? ? -122.28 -169.70 5 1 ALA C 86 ? ? 178.88 175.83 6 1 ILE D 46 ? ? -96.21 -63.23 7 1 SER D 87 ? ? 178.65 173.50 8 1 ASP D 95 ? ? -98.91 -145.13 9 1 PRO D 149 ? ? -76.89 -159.80 10 1 ASP D 182 ? ? -111.63 57.78 # _pdbx_validate_chiral.id 1 _pdbx_validate_chiral.PDB_model_num 1 _pdbx_validate_chiral.auth_atom_id C1 _pdbx_validate_chiral.label_alt_id ? _pdbx_validate_chiral.auth_asym_id A _pdbx_validate_chiral.auth_comp_id NAG _pdbx_validate_chiral.auth_seq_id 286 _pdbx_validate_chiral.PDB_ins_code ? _pdbx_validate_chiral.details 'WRONG HAND' _pdbx_validate_chiral.omega . # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A LYS 6 ? CG ? A LYS 6 CG 2 1 Y 1 A LYS 6 ? CD ? A LYS 6 CD 3 1 Y 1 A LYS 6 ? CE ? A LYS 6 CE 4 1 Y 1 A LYS 6 ? NZ ? A LYS 6 NZ 5 1 Y 1 A ARG 21 ? CG ? A ARG 21 CG 6 1 Y 1 A ARG 21 ? CD ? A ARG 21 CD 7 1 Y 1 A ARG 21 ? NE ? A ARG 21 NE 8 1 Y 1 A ARG 21 ? CZ ? A ARG 21 CZ 9 1 Y 1 A ARG 21 ? NH1 ? A ARG 21 NH1 10 1 Y 1 A ARG 21 ? NH2 ? A ARG 21 NH2 11 1 Y 1 A GLU 64 ? CD ? A GLU 64 CD 12 1 Y 1 A GLU 64 ? OE1 ? A GLU 64 OE1 13 1 Y 1 A GLU 64 ? OE2 ? A GLU 64 OE2 14 1 Y 1 A LYS 65 ? CD ? A LYS 65 CD 15 1 Y 1 A LYS 65 ? CE ? A LYS 65 CE 16 1 Y 1 A LYS 65 ? NZ ? A LYS 65 NZ 17 1 Y 1 A ASP 93 ? CG ? A ASP 93 CG 18 1 Y 1 A ASP 93 ? OD1 ? A ASP 93 OD1 19 1 Y 1 A ASP 93 ? OD2 ? A ASP 93 OD2 20 1 Y 1 A LYS 123 ? CG ? A LYS 123 CG 21 1 Y 1 A LYS 123 ? CD ? A LYS 123 CD 22 1 Y 1 A LYS 123 ? CE ? A LYS 123 CE 23 1 Y 1 A LYS 123 ? NZ ? A LYS 123 NZ 24 1 Y 1 A GLU 177 ? CD ? A GLU 177 CD 25 1 Y 1 A GLU 177 ? OE1 ? A GLU 177 OE1 26 1 Y 1 A GLU 177 ? OE2 ? A GLU 177 OE2 27 1 Y 1 A LYS 185 ? CG ? A LYS 185 CG 28 1 Y 1 A LYS 185 ? CD ? A LYS 185 CD 29 1 Y 1 A LYS 185 ? CE ? A LYS 185 CE 30 1 Y 1 A LYS 185 ? NZ ? A LYS 185 NZ 31 1 Y 1 A GLU 187 ? CD ? A GLU 187 CD 32 1 Y 1 A GLU 187 ? OE1 ? A GLU 187 OE1 33 1 Y 1 A GLU 187 ? OE2 ? A GLU 187 OE2 34 1 Y 1 A ARG 204 ? CG ? A ARG 204 CG 35 1 Y 1 A ARG 204 ? CD ? A ARG 204 CD 36 1 Y 1 A ARG 204 ? NE ? A ARG 204 NE 37 1 Y 1 A ARG 204 ? CZ ? A ARG 204 CZ 38 1 Y 1 A ARG 204 ? NH1 ? A ARG 204 NH1 39 1 Y 1 A ARG 204 ? NH2 ? A ARG 204 NH2 40 1 Y 1 A ASP 226 ? OD1 ? A ASP 226 OD1 41 1 Y 1 A ASP 226 ? OD2 ? A ASP 226 OD2 42 1 Y 1 A GLN 227 ? CG ? A GLN 227 CG 43 1 Y 1 A GLN 227 ? CD ? A GLN 227 CD 44 1 Y 1 A GLN 227 ? OE1 ? A GLN 227 OE1 45 1 Y 1 A GLN 227 ? NE2 ? A GLN 227 NE2 46 1 Y 1 A GLN 230 ? CG ? A GLN 230 CG 47 1 Y 1 A GLN 230 ? CD ? A GLN 230 CD 48 1 Y 1 A GLN 230 ? OE1 ? A GLN 230 OE1 49 1 Y 1 A GLN 230 ? NE2 ? A GLN 230 NE2 50 1 Y 1 A ASP 252 ? CG ? A ASP 252 CG 51 1 Y 1 A ASP 252 ? OD1 ? A ASP 252 OD1 52 1 Y 1 A ASP 252 ? OD2 ? A ASP 252 OD2 53 1 Y 1 A GLU 254 ? CG ? A GLU 254 CG 54 1 Y 1 A GLU 254 ? CD ? A GLU 254 CD 55 1 Y 1 A GLU 254 ? OE1 ? A GLU 254 OE1 56 1 Y 1 A GLU 254 ? OE2 ? A GLU 254 OE2 57 1 Y 1 A ALA 259 ? CB ? A ALA 259 CB 58 1 Y 1 B LYS 3 ? CB ? B LYS 3 CB 59 1 Y 1 B LYS 3 ? CG ? B LYS 3 CG 60 1 Y 1 B LYS 3 ? CD ? B LYS 3 CD 61 1 Y 1 B LYS 3 ? CE ? B LYS 3 CE 62 1 Y 1 B LYS 3 ? NZ ? B LYS 3 NZ 63 1 Y 1 B GLN 6 ? CD ? B GLN 6 CD 64 1 Y 1 B GLN 6 ? OE1 ? B GLN 6 OE1 65 1 Y 1 B GLN 6 ? NE2 ? B GLN 6 NE2 66 1 Y 1 B LYS 19 ? CG ? B LYS 19 CG 67 1 Y 1 B LYS 19 ? CD ? B LYS 19 CD 68 1 Y 1 B LYS 19 ? CE ? B LYS 19 CE 69 1 Y 1 B LYS 19 ? NZ ? B LYS 19 NZ 70 1 Y 1 B LYS 48 ? CG ? B LYS 48 CG 71 1 Y 1 B LYS 48 ? CD ? B LYS 48 CD 72 1 Y 1 B LYS 48 ? CE ? B LYS 48 CE 73 1 Y 1 B LYS 48 ? NZ ? B LYS 48 NZ 74 1 Y 1 B GLU 74 ? CG ? B GLU 74 CG 75 1 Y 1 B GLU 74 ? CD ? B GLU 74 CD 76 1 Y 1 B GLU 74 ? OE1 ? B GLU 74 OE1 77 1 Y 1 B GLU 74 ? OE2 ? B GLU 74 OE2 78 1 Y 1 B LYS 83 ? CG ? B LYS 83 CG 79 1 Y 1 B LYS 83 ? CD ? B LYS 83 CD 80 1 Y 1 B LYS 83 ? CE ? B LYS 83 CE 81 1 Y 1 B LYS 83 ? NZ ? B LYS 83 NZ 82 1 Y 1 B LYS 91 ? CE ? B LYS 91 CE 83 1 Y 1 B LYS 91 ? NZ ? B LYS 91 NZ 84 1 Y 1 C GLN 8 ? CG ? C GLN 10 CG 85 1 Y 1 C GLN 8 ? CD ? C GLN 10 CD 86 1 Y 1 C GLN 8 ? OE1 ? C GLN 10 OE1 87 1 Y 1 C GLN 8 ? NE2 ? C GLN 10 NE2 88 1 Y 1 C LYS 41 ? CG ? C LYS 43 CG 89 1 Y 1 C LYS 41 ? CD ? C LYS 43 CD 90 1 Y 1 C LYS 41 ? CE ? C LYS 43 CE 91 1 Y 1 C LYS 41 ? NZ ? C LYS 43 NZ 92 1 Y 1 C LYS 55 ? NZ ? C LYS 57 NZ 93 1 Y 1 C GLN 119 ? CG ? C GLN 118 CG 94 1 Y 1 C GLN 119 ? CD ? C GLN 118 CD 95 1 Y 1 C GLN 119 ? OE1 ? C GLN 118 OE1 96 1 Y 1 C GLN 119 ? NE2 ? C GLN 118 NE2 97 1 Y 1 C LYS 132 ? CG ? C LYS 131 CG 98 1 Y 1 C LYS 132 ? CD ? C LYS 131 CD 99 1 Y 1 C LYS 132 ? CE ? C LYS 131 CE 100 1 Y 1 C LYS 132 ? NZ ? C LYS 131 NZ 101 1 Y 1 C ASP 135 ? CG ? C ASP 134 CG 102 1 Y 1 C ASP 135 ? OD1 ? C ASP 134 OD1 103 1 Y 1 C ASP 135 ? OD2 ? C ASP 134 OD2 104 1 Y 1 C GLN 147 ? CG ? C GLN 146 CG 105 1 Y 1 C GLN 147 ? CD ? C GLN 146 CD 106 1 Y 1 C GLN 147 ? OE1 ? C GLN 146 OE1 107 1 Y 1 C GLN 147 ? NE2 ? C GLN 146 NE2 108 1 Y 1 C LYS 154 ? CG ? C LYS 153 CG 109 1 Y 1 C LYS 154 ? CD ? C LYS 153 CD 110 1 Y 1 C LYS 154 ? CE ? C LYS 153 CE 111 1 Y 1 C LYS 154 ? NZ ? C LYS 153 NZ 112 1 Y 1 C ASN 183 ? CG ? C ASN 182 CG 113 1 Y 1 C ASN 183 ? OD1 ? C ASN 182 OD1 114 1 Y 1 C ASN 183 ? ND2 ? C ASN 182 ND2 115 1 Y 1 C LYS 184 ? CG ? C LYS 183 CG 116 1 Y 1 C LYS 184 ? CD ? C LYS 183 CD 117 1 Y 1 C LYS 184 ? CE ? C LYS 183 CE 118 1 Y 1 C LYS 184 ? NZ ? C LYS 183 NZ 119 1 Y 1 C ASP 186 ? CG ? C ASP 185 CG 120 1 Y 1 C ASP 186 ? OD1 ? C ASP 185 OD1 121 1 Y 1 C ASP 186 ? OD2 ? C ASP 185 OD2 122 1 Y 1 C GLU 200 ? CG ? C GLU 199 CG 123 1 Y 1 C GLU 200 ? CD ? C GLU 199 CD 124 1 Y 1 C GLU 200 ? OE1 ? C GLU 199 OE1 125 1 Y 1 C GLU 200 ? OE2 ? C GLU 199 OE2 126 1 Y 1 D LYS 65 ? CG ? D LYS 66 CG 127 1 Y 1 D LYS 65 ? CD ? D LYS 66 CD 128 1 Y 1 D LYS 65 ? CE ? D LYS 66 CE 129 1 Y 1 D LYS 65 ? NZ ? D LYS 66 NZ 130 1 Y 1 D GLU 112 ? CG ? D GLU 113 CG 131 1 Y 1 D GLU 112 ? CD ? D GLU 113 CD 132 1 Y 1 D GLU 112 ? OE1 ? D GLU 113 OE1 133 1 Y 1 D GLU 112 ? OE2 ? D GLU 113 OE2 134 1 Y 1 D LYS 121 ? CE ? D LYS 122 CE 135 1 Y 1 D LYS 121 ? NZ ? D LYS 122 NZ 136 1 Y 1 D LYS 129 ? CG ? D LYS 130 CG 137 1 Y 1 D LYS 129 ? CD ? D LYS 130 CD 138 1 Y 1 D LYS 129 ? CE ? D LYS 130 CE 139 1 Y 1 D LYS 129 ? NZ ? D LYS 130 NZ 140 1 Y 1 D GLN 172 ? CG ? D GLN 173 CG 141 1 Y 1 D GLN 172 ? CD ? D GLN 173 CD 142 1 Y 1 D GLN 172 ? OE1 ? D GLN 173 OE1 143 1 Y 1 D GLN 172 ? NE2 ? D GLN 173 NE2 144 1 Y 1 D ASN 181 ? CG ? D ASN 182 CG 145 1 Y 1 D ASN 181 ? OD1 ? D ASN 182 OD1 146 1 Y 1 D ASN 181 ? ND2 ? D ASN 182 ND2 147 1 Y 1 D GLU 216 ? CG ? D GLU 217 CG 148 1 Y 1 D GLU 216 ? CD ? D GLU 217 CD 149 1 Y 1 D GLU 216 ? OE1 ? D GLU 217 OE1 150 1 Y 1 D GLU 216 ? OE2 ? D GLU 217 OE2 151 1 Y 1 D ASN 217 ? CG ? D ASN 218 CG 152 1 Y 1 D ASN 217 ? OD1 ? D ASN 218 OD1 153 1 Y 1 D ASN 217 ? ND2 ? D ASN 218 ND2 154 1 Y 1 D GLU 219 ? CG ? D GLU 220 CG 155 1 Y 1 D GLU 219 ? CD ? D GLU 220 CD 156 1 Y 1 D GLU 219 ? OE1 ? D GLU 220 OE1 157 1 Y 1 D GLU 219 ? OE2 ? D GLU 220 OE2 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A SER 1 ? A SER 1 2 1 Y 1 A GLU 2 ? A GLU 2 3 1 Y 1 A ALA 3 ? A ALA 3 4 1 Y 1 A GLN 4 ? A GLN 4 5 1 Y 1 A GLN 5 ? A GLN 5 6 1 Y 1 A SER 198 ? A SER 198 7 1 Y 1 A SER 199 ? A SER 199 8 1 Y 1 A ALA 200 ? A ALA 200 9 1 Y 1 A HIS 201 ? A HIS 201 10 1 Y 1 A GLY 202 ? A GLY 202 11 1 Y 1 A HIS 203 ? A HIS 203 12 1 Y 1 A HIS 280 ? A HIS 280 13 1 Y 1 A HIS 281 ? A HIS 281 14 1 Y 1 A HIS 282 ? A HIS 282 15 1 Y 1 A HIS 283 ? A HIS 283 16 1 Y 1 A HIS 284 ? A HIS 284 17 1 Y 1 A HIS 285 ? A HIS 285 18 1 Y 1 B ILE 1 ? B ILE 1 19 1 Y 1 C MET -1 ? C MET 1 20 1 Y 1 C LYS 0 ? C LYS 2 21 1 Y 1 C SER 185 ? C SER 184 22 1 Y 1 C PRO 207 ? C PRO 206 23 1 Y 1 C GLU 208 ? C GLU 207 24 1 Y 1 C SER 209 ? C SER 208 25 1 Y 1 C SER 210 ? C SER 209 26 1 Y 1 D MET 0 ? D MET 1 27 1 Y 1 D GLU 1 ? D GLU 2 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 5 N-ACETYL-D-GLUCOSAMINE NAG 6 ALPHA-L-FUCOSE FUC 7 '(2S,3R,4S,5R,6S)-6-[(2S,3S,4R)-2-(hexacosanoylamino)-3,4-dihydroxy-octadecoxy]-3,4,5-trihydroxy-N-(phenylmethyl)oxane-2-carboxamide' QUY 8 GLYCEROL GOL 9 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 E 5 NAG 1 286 1 NAG NAG A . F 5 NAG 1 287 2 NAG NAG A . G 5 NAG 1 288 3 NAG NAG A . H 5 NAG 2 289 4 NAG NAG A . I 6 FUC 3 290 5 FUC FUC A . J 7 QUY 1 291 1 QUY 228 A . K 8 GOL 1 241 1 GOL GOL D . L 9 HOH 1 292 1 HOH HOH A . L 9 HOH 2 293 10 HOH HOH A . L 9 HOH 3 294 11 HOH HOH A . L 9 HOH 4 295 12 HOH HOH A . L 9 HOH 5 296 13 HOH HOH A . L 9 HOH 6 297 297 HOH HOH A . L 9 HOH 7 298 15 HOH HOH A . L 9 HOH 8 299 299 HOH HOH A . L 9 HOH 9 300 19 HOH HOH A . L 9 HOH 10 301 21 HOH HOH A . L 9 HOH 11 302 22 HOH HOH A . L 9 HOH 12 303 23 HOH HOH A . L 9 HOH 13 304 304 HOH HOH A . L 9 HOH 14 305 24 HOH HOH A . L 9 HOH 15 306 306 HOH HOH A . L 9 HOH 16 307 25 HOH HOH A . L 9 HOH 17 308 30 HOH HOH A . L 9 HOH 18 309 32 HOH HOH A . L 9 HOH 19 310 36 HOH HOH A . L 9 HOH 20 311 37 HOH HOH A . L 9 HOH 21 312 39 HOH HOH A . L 9 HOH 22 313 40 HOH HOH A . L 9 HOH 23 314 41 HOH HOH A . L 9 HOH 24 315 42 HOH HOH A . L 9 HOH 25 316 316 HOH HOH A . L 9 HOH 26 317 47 HOH HOH A . L 9 HOH 27 318 52 HOH HOH A . L 9 HOH 28 319 59 HOH HOH A . L 9 HOH 29 320 65 HOH HOH A . L 9 HOH 30 321 321 HOH HOH A . L 9 HOH 31 322 67 HOH HOH A . L 9 HOH 32 323 71 HOH HOH A . L 9 HOH 33 324 324 HOH HOH A . L 9 HOH 34 325 77 HOH HOH A . L 9 HOH 35 326 78 HOH HOH A . L 9 HOH 36 327 79 HOH HOH A . L 9 HOH 37 328 82 HOH HOH A . L 9 HOH 38 329 90 HOH HOH A . L 9 HOH 39 330 330 HOH HOH A . L 9 HOH 40 331 92 HOH HOH A . L 9 HOH 41 332 93 HOH HOH A . L 9 HOH 42 333 96 HOH HOH A . L 9 HOH 43 334 99 HOH HOH A . L 9 HOH 44 335 335 HOH HOH A . L 9 HOH 45 336 100 HOH HOH A . L 9 HOH 46 337 337 HOH HOH A . L 9 HOH 47 338 110 HOH HOH A . L 9 HOH 48 339 339 HOH HOH A . L 9 HOH 49 340 119 HOH HOH A . L 9 HOH 50 341 120 HOH HOH A . L 9 HOH 51 342 342 HOH HOH A . L 9 HOH 52 343 124 HOH HOH A . L 9 HOH 53 344 344 HOH HOH A . L 9 HOH 54 345 345 HOH HOH A . L 9 HOH 55 346 125 HOH HOH A . L 9 HOH 56 347 126 HOH HOH A . L 9 HOH 57 348 128 HOH HOH A . L 9 HOH 58 349 130 HOH HOH A . L 9 HOH 59 350 137 HOH HOH A . L 9 HOH 60 351 351 HOH HOH A . L 9 HOH 61 352 138 HOH HOH A . L 9 HOH 62 353 143 HOH HOH A . L 9 HOH 63 354 144 HOH HOH A . L 9 HOH 64 355 355 HOH HOH A . L 9 HOH 65 356 356 HOH HOH A . L 9 HOH 66 357 151 HOH HOH A . L 9 HOH 67 358 153 HOH HOH A . L 9 HOH 68 359 157 HOH HOH A . L 9 HOH 69 360 158 HOH HOH A . L 9 HOH 70 361 361 HOH HOH A . L 9 HOH 71 362 159 HOH HOH A . L 9 HOH 72 363 160 HOH HOH A . L 9 HOH 73 364 166 HOH HOH A . L 9 HOH 74 365 365 HOH HOH A . L 9 HOH 75 366 168 HOH HOH A . L 9 HOH 76 367 367 HOH HOH A . L 9 HOH 77 368 368 HOH HOH A . L 9 HOH 78 369 170 HOH HOH A . L 9 HOH 79 370 370 HOH HOH A . L 9 HOH 80 371 179 HOH HOH A . L 9 HOH 81 372 181 HOH HOH A . L 9 HOH 82 373 183 HOH HOH A . L 9 HOH 83 374 184 HOH HOH A . L 9 HOH 84 375 375 HOH HOH A . L 9 HOH 85 376 187 HOH HOH A . L 9 HOH 86 377 377 HOH HOH A . L 9 HOH 87 378 378 HOH HOH A . L 9 HOH 88 379 189 HOH HOH A . L 9 HOH 89 380 380 HOH HOH A . L 9 HOH 90 381 190 HOH HOH A . L 9 HOH 91 382 382 HOH HOH A . L 9 HOH 92 383 196 HOH HOH A . L 9 HOH 93 384 200 HOH HOH A . L 9 HOH 94 385 385 HOH HOH A . L 9 HOH 95 386 201 HOH HOH A . L 9 HOH 96 387 387 HOH HOH A . L 9 HOH 97 388 208 HOH HOH A . L 9 HOH 98 389 211 HOH HOH A . L 9 HOH 99 390 390 HOH HOH A . L 9 HOH 100 391 215 HOH HOH A . L 9 HOH 101 392 217 HOH HOH A . L 9 HOH 102 393 393 HOH HOH A . L 9 HOH 103 394 394 HOH HOH A . L 9 HOH 104 395 218 HOH HOH A . L 9 HOH 105 396 221 HOH HOH A . L 9 HOH 106 397 397 HOH HOH A . L 9 HOH 107 398 225 HOH HOH A . L 9 HOH 108 399 233 HOH HOH A . L 9 HOH 109 400 240 HOH HOH A . L 9 HOH 110 401 401 HOH HOH A . L 9 HOH 111 402 241 HOH HOH A . L 9 HOH 112 403 251 HOH HOH A . L 9 HOH 113 404 253 HOH HOH A . L 9 HOH 114 405 255 HOH HOH A . L 9 HOH 115 406 259 HOH HOH A . L 9 HOH 116 407 260 HOH HOH A . L 9 HOH 117 408 261 HOH HOH A . L 9 HOH 118 409 409 HOH HOH A . L 9 HOH 119 410 262 HOH HOH A . L 9 HOH 120 411 266 HOH HOH A . L 9 HOH 121 412 270 HOH HOH A . L 9 HOH 122 413 274 HOH HOH A . L 9 HOH 123 414 276 HOH HOH A . L 9 HOH 124 415 281 HOH HOH A . M 9 HOH 1 100 27 HOH HOH B . M 9 HOH 2 101 38 HOH HOH B . M 9 HOH 3 102 44 HOH HOH B . M 9 HOH 4 103 57 HOH HOH B . M 9 HOH 5 104 104 HOH HOH B . M 9 HOH 6 105 62 HOH HOH B . M 9 HOH 7 106 64 HOH HOH B . M 9 HOH 8 107 68 HOH HOH B . M 9 HOH 9 108 72 HOH HOH B . M 9 HOH 10 109 76 HOH HOH B . M 9 HOH 11 118 118 HOH HOH B . M 9 HOH 12 139 139 HOH HOH B . M 9 HOH 13 165 165 HOH HOH B . M 9 HOH 14 172 172 HOH HOH B . M 9 HOH 15 174 174 HOH HOH B . M 9 HOH 16 175 175 HOH HOH B . M 9 HOH 17 185 185 HOH HOH B . M 9 HOH 18 186 186 HOH HOH B . M 9 HOH 19 191 191 HOH HOH B . M 9 HOH 20 204 204 HOH HOH B . M 9 HOH 21 213 213 HOH HOH B . M 9 HOH 22 226 226 HOH HOH B . M 9 HOH 23 229 229 HOH HOH B . M 9 HOH 24 237 237 HOH HOH B . M 9 HOH 25 246 246 HOH HOH B . M 9 HOH 26 247 247 HOH HOH B . M 9 HOH 27 252 252 HOH HOH B . M 9 HOH 28 258 258 HOH HOH B . M 9 HOH 29 267 267 HOH HOH B . M 9 HOH 30 269 269 HOH HOH B . M 9 HOH 31 271 271 HOH HOH B . M 9 HOH 32 272 272 HOH HOH B . M 9 HOH 33 280 280 HOH HOH B . M 9 HOH 34 294 294 HOH HOH B . M 9 HOH 35 311 311 HOH HOH B . M 9 HOH 36 312 312 HOH HOH B . M 9 HOH 37 325 325 HOH HOH B . M 9 HOH 38 333 333 HOH HOH B . M 9 HOH 39 334 334 HOH HOH B . M 9 HOH 40 341 341 HOH HOH B . M 9 HOH 41 350 350 HOH HOH B . M 9 HOH 42 358 358 HOH HOH B . M 9 HOH 43 364 364 HOH HOH B . M 9 HOH 44 373 373 HOH HOH B . M 9 HOH 45 392 392 HOH HOH B . M 9 HOH 46 408 408 HOH HOH B . M 9 HOH 47 410 410 HOH HOH B . N 9 HOH 1 211 2 HOH HOH C . N 9 HOH 2 212 4 HOH HOH C . N 9 HOH 3 213 5 HOH HOH C . N 9 HOH 4 214 9 HOH HOH C . N 9 HOH 5 215 14 HOH HOH C . N 9 HOH 6 216 216 HOH HOH C . N 9 HOH 7 217 17 HOH HOH C . N 9 HOH 8 218 28 HOH HOH C . N 9 HOH 9 219 33 HOH HOH C . N 9 HOH 10 220 35 HOH HOH C . N 9 HOH 11 221 48 HOH HOH C . N 9 HOH 12 222 50 HOH HOH C . N 9 HOH 13 223 54 HOH HOH C . N 9 HOH 14 224 56 HOH HOH C . N 9 HOH 15 225 63 HOH HOH C . N 9 HOH 16 226 66 HOH HOH C . N 9 HOH 17 227 70 HOH HOH C . N 9 HOH 18 228 80 HOH HOH C . N 9 HOH 19 229 85 HOH HOH C . N 9 HOH 20 230 94 HOH HOH C . N 9 HOH 21 231 98 HOH HOH C . N 9 HOH 22 232 105 HOH HOH C . N 9 HOH 23 233 106 HOH HOH C . N 9 HOH 24 234 234 HOH HOH C . N 9 HOH 25 235 107 HOH HOH C . N 9 HOH 26 236 236 HOH HOH C . N 9 HOH 27 237 108 HOH HOH C . N 9 HOH 28 238 116 HOH HOH C . N 9 HOH 29 239 117 HOH HOH C . N 9 HOH 30 240 129 HOH HOH C . N 9 HOH 31 241 131 HOH HOH C . N 9 HOH 32 242 132 HOH HOH C . N 9 HOH 33 243 134 HOH HOH C . N 9 HOH 34 244 244 HOH HOH C . N 9 HOH 35 245 135 HOH HOH C . N 9 HOH 36 246 146 HOH HOH C . N 9 HOH 37 247 147 HOH HOH C . N 9 HOH 38 248 248 HOH HOH C . N 9 HOH 39 249 249 HOH HOH C . N 9 HOH 40 250 167 HOH HOH C . N 9 HOH 41 251 171 HOH HOH C . N 9 HOH 42 252 177 HOH HOH C . N 9 HOH 43 253 180 HOH HOH C . N 9 HOH 44 254 254 HOH HOH C . N 9 HOH 45 255 182 HOH HOH C . N 9 HOH 46 256 194 HOH HOH C . N 9 HOH 47 257 195 HOH HOH C . N 9 HOH 48 258 202 HOH HOH C . N 9 HOH 49 259 203 HOH HOH C . N 9 HOH 50 260 209 HOH HOH C . N 9 HOH 51 261 210 HOH HOH C . N 9 HOH 52 264 264 HOH HOH C . N 9 HOH 53 265 265 HOH HOH C . N 9 HOH 54 273 273 HOH HOH C . N 9 HOH 55 279 279 HOH HOH C . N 9 HOH 56 282 282 HOH HOH C . N 9 HOH 57 287 287 HOH HOH C . N 9 HOH 58 290 290 HOH HOH C . N 9 HOH 59 291 291 HOH HOH C . N 9 HOH 60 292 292 HOH HOH C . N 9 HOH 61 295 295 HOH HOH C . N 9 HOH 62 296 296 HOH HOH C . N 9 HOH 63 305 305 HOH HOH C . N 9 HOH 64 310 310 HOH HOH C . N 9 HOH 65 314 314 HOH HOH C . N 9 HOH 66 315 315 HOH HOH C . N 9 HOH 67 317 317 HOH HOH C . N 9 HOH 68 318 318 HOH HOH C . N 9 HOH 69 327 327 HOH HOH C . N 9 HOH 70 336 336 HOH HOH C . N 9 HOH 71 338 338 HOH HOH C . N 9 HOH 72 346 346 HOH HOH C . N 9 HOH 73 353 353 HOH HOH C . N 9 HOH 74 360 360 HOH HOH C . N 9 HOH 75 362 362 HOH HOH C . N 9 HOH 76 363 363 HOH HOH C . N 9 HOH 77 371 371 HOH HOH C . N 9 HOH 78 386 386 HOH HOH C . N 9 HOH 79 391 391 HOH HOH C . N 9 HOH 80 406 406 HOH HOH C . N 9 HOH 81 407 407 HOH HOH C . O 9 HOH 1 242 242 HOH HOH D . O 9 HOH 2 243 243 HOH HOH D . O 9 HOH 3 244 3 HOH HOH D . O 9 HOH 4 245 245 HOH HOH D . O 9 HOH 5 246 6 HOH HOH D . O 9 HOH 6 247 7 HOH HOH D . O 9 HOH 7 248 8 HOH HOH D . O 9 HOH 8 249 16 HOH HOH D . O 9 HOH 9 250 250 HOH HOH D . O 9 HOH 10 251 18 HOH HOH D . O 9 HOH 11 252 20 HOH HOH D . O 9 HOH 12 253 26 HOH HOH D . O 9 HOH 13 254 29 HOH HOH D . O 9 HOH 14 255 31 HOH HOH D . O 9 HOH 15 256 256 HOH HOH D . O 9 HOH 16 257 257 HOH HOH D . O 9 HOH 17 258 34 HOH HOH D . O 9 HOH 18 259 43 HOH HOH D . O 9 HOH 19 260 45 HOH HOH D . O 9 HOH 20 261 46 HOH HOH D . O 9 HOH 21 262 49 HOH HOH D . O 9 HOH 22 263 263 HOH HOH D . O 9 HOH 23 264 51 HOH HOH D . O 9 HOH 24 265 53 HOH HOH D . O 9 HOH 25 266 55 HOH HOH D . O 9 HOH 26 267 58 HOH HOH D . O 9 HOH 27 268 268 HOH HOH D . O 9 HOH 28 269 60 HOH HOH D . O 9 HOH 29 270 61 HOH HOH D . O 9 HOH 30 271 69 HOH HOH D . O 9 HOH 31 272 73 HOH HOH D . O 9 HOH 32 273 74 HOH HOH D . O 9 HOH 33 274 75 HOH HOH D . O 9 HOH 34 275 275 HOH HOH D . O 9 HOH 35 276 81 HOH HOH D . O 9 HOH 36 277 277 HOH HOH D . O 9 HOH 37 278 278 HOH HOH D . O 9 HOH 38 279 83 HOH HOH D . O 9 HOH 39 280 84 HOH HOH D . O 9 HOH 40 281 86 HOH HOH D . O 9 HOH 41 282 87 HOH HOH D . O 9 HOH 42 283 283 HOH HOH D . O 9 HOH 43 284 284 HOH HOH D . O 9 HOH 44 285 285 HOH HOH D . O 9 HOH 45 286 286 HOH HOH D . O 9 HOH 46 287 88 HOH HOH D . O 9 HOH 47 288 288 HOH HOH D . O 9 HOH 48 289 289 HOH HOH D . O 9 HOH 49 290 89 HOH HOH D . O 9 HOH 50 291 91 HOH HOH D . O 9 HOH 51 292 95 HOH HOH D . O 9 HOH 52 293 293 HOH HOH D . O 9 HOH 53 294 97 HOH HOH D . O 9 HOH 54 295 101 HOH HOH D . O 9 HOH 55 296 102 HOH HOH D . O 9 HOH 56 297 103 HOH HOH D . O 9 HOH 57 298 298 HOH HOH D . O 9 HOH 58 299 109 HOH HOH D . O 9 HOH 59 300 300 HOH HOH D . O 9 HOH 60 301 301 HOH HOH D . O 9 HOH 61 302 302 HOH HOH D . O 9 HOH 62 303 303 HOH HOH D . O 9 HOH 63 304 111 HOH HOH D . O 9 HOH 64 305 112 HOH HOH D . O 9 HOH 65 306 113 HOH HOH D . O 9 HOH 66 307 307 HOH HOH D . O 9 HOH 67 308 308 HOH HOH D . O 9 HOH 68 309 309 HOH HOH D . O 9 HOH 69 310 114 HOH HOH D . O 9 HOH 70 311 115 HOH HOH D . O 9 HOH 71 312 121 HOH HOH D . O 9 HOH 72 313 313 HOH HOH D . O 9 HOH 73 314 122 HOH HOH D . O 9 HOH 74 315 123 HOH HOH D . O 9 HOH 75 316 127 HOH HOH D . O 9 HOH 76 317 133 HOH HOH D . O 9 HOH 77 318 136 HOH HOH D . O 9 HOH 78 319 319 HOH HOH D . O 9 HOH 79 320 320 HOH HOH D . O 9 HOH 80 321 140 HOH HOH D . O 9 HOH 81 322 322 HOH HOH D . O 9 HOH 82 323 323 HOH HOH D . O 9 HOH 83 324 141 HOH HOH D . O 9 HOH 84 325 142 HOH HOH D . O 9 HOH 85 326 326 HOH HOH D . O 9 HOH 86 327 145 HOH HOH D . O 9 HOH 87 328 328 HOH HOH D . O 9 HOH 88 329 329 HOH HOH D . O 9 HOH 89 330 148 HOH HOH D . O 9 HOH 90 331 331 HOH HOH D . O 9 HOH 91 332 332 HOH HOH D . O 9 HOH 92 333 149 HOH HOH D . O 9 HOH 93 334 150 HOH HOH D . O 9 HOH 94 335 152 HOH HOH D . O 9 HOH 95 336 154 HOH HOH D . O 9 HOH 96 337 155 HOH HOH D . O 9 HOH 97 338 156 HOH HOH D . O 9 HOH 98 339 161 HOH HOH D . O 9 HOH 99 340 340 HOH HOH D . O 9 HOH 100 341 162 HOH HOH D . O 9 HOH 101 342 163 HOH HOH D . O 9 HOH 102 343 343 HOH HOH D . O 9 HOH 103 344 164 HOH HOH D . O 9 HOH 104 345 169 HOH HOH D . O 9 HOH 105 346 173 HOH HOH D . O 9 HOH 106 347 347 HOH HOH D . O 9 HOH 107 348 348 HOH HOH D . O 9 HOH 108 349 349 HOH HOH D . O 9 HOH 109 350 176 HOH HOH D . O 9 HOH 110 351 178 HOH HOH D . O 9 HOH 111 352 352 HOH HOH D . O 9 HOH 112 353 188 HOH HOH D . O 9 HOH 113 354 354 HOH HOH D . O 9 HOH 114 355 192 HOH HOH D . O 9 HOH 115 356 193 HOH HOH D . O 9 HOH 116 357 357 HOH HOH D . O 9 HOH 117 358 197 HOH HOH D . O 9 HOH 118 359 359 HOH HOH D . O 9 HOH 119 360 198 HOH HOH D . O 9 HOH 120 361 199 HOH HOH D . O 9 HOH 121 362 205 HOH HOH D . O 9 HOH 122 363 206 HOH HOH D . O 9 HOH 123 364 207 HOH HOH D . O 9 HOH 124 365 212 HOH HOH D . O 9 HOH 125 366 366 HOH HOH D . O 9 HOH 126 367 214 HOH HOH D . O 9 HOH 127 368 219 HOH HOH D . O 9 HOH 128 369 369 HOH HOH D . O 9 HOH 129 370 220 HOH HOH D . O 9 HOH 130 371 222 HOH HOH D . O 9 HOH 131 372 372 HOH HOH D . O 9 HOH 132 373 223 HOH HOH D . O 9 HOH 133 374 374 HOH HOH D . O 9 HOH 134 375 224 HOH HOH D . O 9 HOH 135 376 376 HOH HOH D . O 9 HOH 136 377 227 HOH HOH D . O 9 HOH 137 378 228 HOH HOH D . O 9 HOH 138 379 379 HOH HOH D . O 9 HOH 139 380 230 HOH HOH D . O 9 HOH 140 381 381 HOH HOH D . O 9 HOH 141 382 231 HOH HOH D . O 9 HOH 142 383 383 HOH HOH D . O 9 HOH 143 384 384 HOH HOH D . O 9 HOH 144 385 232 HOH HOH D . O 9 HOH 145 386 235 HOH HOH D . O 9 HOH 146 387 238 HOH HOH D . O 9 HOH 147 388 388 HOH HOH D . O 9 HOH 148 389 389 HOH HOH D . O 9 HOH 149 390 239 HOH HOH D . O 9 HOH 150 395 395 HOH HOH D . O 9 HOH 151 396 396 HOH HOH D . O 9 HOH 152 398 398 HOH HOH D . O 9 HOH 153 399 399 HOH HOH D . O 9 HOH 154 400 400 HOH HOH D . O 9 HOH 155 402 402 HOH HOH D . O 9 HOH 156 403 403 HOH HOH D . O 9 HOH 157 404 404 HOH HOH D . O 9 HOH 158 405 405 HOH HOH D . #